CDK inhibitor database (CDKiDB)


The aim of this database is to compile information on commercially available cyclin-kinase inhibitors and provide a critical evaluation of their utility as molecular probes. Such data are scattered in literature or not published at all in many cases. We would like to encourage researchers to contribute both published and unpublished data.



Legend: The activities against the CDKs are IC50 values in micromoles unless indicated otherwise. n.d. - not determined, a - the binding partner in the kinase assay is not known.

Structure Inhibitor CAS number Published CDK preference Critical Evaluation Alternative name First published 1/B 2/E 2/A 3/E1 4/D1 5/p25 6/D1 7/H 9/T Another main target Total tested kinases References Synonyms SMILES
Mol CGP74514A 190654-01-4 1 Disputed: Jorda et. al.(kinase assay) CDK1 inhibitor 1999 0.031 n.d. n.d. n.d. n.d. n.d. n.d. n.d. n.d. 300 Bioorg Med Chem Lett. 1999 Jan 4;9(1):91-6. CCN1C2=NC(N[C@H]3CCCC[C@@H]3N)=NC(NC4=CC(Cl)=CC=C4)=C2N=C1
Mol CDK1 inhibitor 220749-41-7 1 Disputed: Jorda et. al.(kinase assay) cmpd 8a 2000 5.8 n.d. n.d. n.d. n.d. 25a n.d. n.d. n.d. 300 Anticancer Drug Des. 2000 Dec;15(6):447-52. IN1397,220749-41-7,AC1L1E22,CTK7H5951,AKOS028110668,HE326060,NCI60_041122,3-[(2-chloro-1H-indol-3-yl)methylidene]-1H-indol-2-one,2H-Indol-2-one, 3-[(2-chloro-1H-indol-3-yl)methylene]-1,3-dihydro-,3-[(2-chloro-1h-indol-3-yl)methylidene]-1,3-dihydro-2h-indol-2-one C1=CC=C2C(=C1)C(=CC3=C(NC4=CC=CC=C43)Cl)C(=O)N2
Mol Benfluorene 440362-74-3 1 Disputed: Jorda et. al.(kinase assay) CDK1 inhibitor III, cmpd 5a 2003 28.8 >100 n.d. n.d. >100 n.d. n.d. n.d. n.d. 3 J Med Chem. 2003 Feb 27;46(5):876-9. CCOC(C1=C(C2=CC=CC=C2)C3=C(N=C1)OC4=CC=C(O)C=C43)=O
Mol Elbfluorene - 1 Disputed: Jorda et. al.(kinase assay) cmpd 4a 2005 4.2 >100 n.d. n.d. >100a n.d. n.d. n.d. n.d. 3 Bioorg Med Chem Lett. 2005 Feb 1;15(3):823-5. CC(C1=C(C2=CC=CC=C2)C3=C(N=C1)OC4=CC=C(O)C=C43)=O
Mol RO3306 872573-93-8 1 Confirmed: Jorda et. al.(kinase assay) CDK1 inhibitor IV 2006 0.035; 0.07 0.34; 1.32 0.89 0.03a >2a; 197a n.d. n.d. n.d. n.d. 140 Proc Natl Acad Sci U S A. 2006 Jul 11;103(28):10660-5; Chem Biol. 2012 Aug 24;19(8):1028-40. Ro-3306,872573-93-8,RO 3306,CHEMBL393929,Cdk1 Inhibitor IV, RO-3306,C18H13N3OS2,5-(6-Quinolinylmethylene)-2-[(2-thienylmethyl)amino]-4(5H)-thiazolone,ro-306,SCHEMBL4874056,AOB2010,EX-A575,MolPort-023-277-087,BDBM181049,HMS3229B19,4010AH,BDBM50205472,MFCD17392573,s7747,ZINC28821265,AKOS024458017,CS-3790,(Z)-5-(quinolin-6-ylmethylene)-2-(thiophen-2-ylmethylamino)thiazol-4(5H)-one,BC638665,HE063960,HY-12529,RO-3306, >=98% (HPLC),BRD-K78373679-001-01-1,S7747,872573-93-8,(5Z)-5-(quinolin-6-ylmethylidene)-2-[(thiophen-2-ylmethyl)amino]-1,3-thiazol-4(5H)-one,4(5H)-THIAZOLONE, 5-(6-QUINOLINYLMETHYLENE)-2-[(2-THIENYLMETHYL)AMINO]-, (5Z)-,(5Z)-5-[(quinolin-6-yl)methylidene]-2-{[(thiophen-2-yl)methyl]amino}-4,5-dihydro-1,3-thiazol-4-one C1=CC2=C(C=CC(=C2)/C=C\3/C(=O)N=C(S3)NCC4=CC=CS4)N=C1
Mol CVT313 199986-75-9 2 Disputed: Jorda et. al.(kinase assay) NG26, CDK2 inhibitor III 1999 4.2 0.5 0.5 n.d. 215 n.d. n.d. n.d. n.d. 300 J Biol Chem. 1997 Nov 14;272(46):29207-11. CVT-313,199986-75-9,Cdk2 Inhibitor III,UNII-T5490K8I7S,AC1OCFD4,CHEMBL80713,IN1370,2(bis-(Hydroxyethyl)amino)-6-(4-methoxybenzylamino)-9-isopropyl-purine,2,2'-((9-Isopropyl-6-((4-methoxybenzyl)amino)-9H-purin-2-yl)azanediyl)diethanol,2-[(2-hydroxyethyl)(6-{[(4-methoxyphenyl)methyl]amino}-9-(propan-2-yl)-9H-purin-2-yl)amino]ethan-1-ol,CVT 313,NG-36,GTPL5948,SCHEMBL1394958,CTK8F1270,DTXSID30173812,HMS3229E16,NG 26,T5490K8I7S,EX-A1225,ZINC1487345,CVT-313(NG-26),3564AH,BDBM50113739,HSCI1_000262,MFCD06411412,AKOS027257517,CCG-206835,CS-0881,AK213292,Ethanol, 2,2'-((6-(((4-methoxyphenyl)methyl)amino)-9-(1-methylethyl)-9H-purin-2-yl)imino)bis-,HE066811,HE323264,HY-15339,KB-76215,RT-012111,W-5332,J-012931,2-(bis-(hydroxylethyl)amino)-6-(4-methoxybenzylamino)-9-isopropylpurine,2-[2-hydroxyethyl-[6-[(4-methoxyphenyl)methylamino]-9-propan-2-ylpurin-2-yl]amino]ethanol,2-{(2-Hydroxy-ethyl)-[9-isopropyl-6-(4-methoxy-benzylamino)-9H-purin-2-yl]-amino}-ethanol,2,2'-[[6-[[(4-Methoxyphenyl)methyl]amino]-9-(1-methylethyl)-9H-purin-2-yl]imino]bis[ethanol],2-[(2-HYDROXYETHYL)(9-ISOPROPYL-6-{[(4-METHOXYPHENYL)METHYL]AMINO}PURIN-2-YL)AMINO]ETHANOL CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC=C(C=C3)OC)N(CCO)CCO
Mol WHIP180 211555-08-7 2 cmpd 2 2000 n.d. 1a n.d. n.d. n.d. n.d. n.d. n.d. n.d. EGFR 1 J Med Chem. 2000 Jan 13;43(1):133-8. whi-p180,211555-08-7,3-[(6,7-dimethoxyquinazolin-4-yl)amino]phenol,WHI-P180,-Hydroxyphenyl)amino-6,7-dimethoxyquinazoline, HCl,JANEX 3,JANEX-3,4btk,1di8,AC1L1KWT,AC1Q4XVE,WHI-P180 hydrochloride,3-(6,7-dimethoxyquinazolin-4-ylamino)phenol,Anilinoquinazoline deriv. 5,WHI-P180(Janex 4-(3'-Hydroxyphenyl)amino-6,7-dimethoxyquinazoline, HCl COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=CC=C3)O)OC
Mol GW8510 222036-17-1 2 Disputed: Jorda et. al.(kinase assay) cmpd 4 2001 0.11 0.01a n.d. n.d. 0.13a n.d. n.d. n.d. n.d. 15 Science. 2001 Jan 5;291(5501):134-7. gw8510,222036-17-1,Kinome_2472,AC1OB9GP,CHEMBL1973540,CTK8F0370,GCYXEGSPUDSZJY-UHFFFAOYSA-N,KS-0000183R,PL050739,4-[({7-OXO-6H,7H,8H-[1,3]THIAZOLO[5,4-E]INDOL-8-YLIDENE}METHYL)AMINO]-N-(PYRIDIN-2-YL)BENZENE-1-SULFONAMIDE,4-[(7-Oxo-6,7-dihydro-1-thia-3,6-diaza-as-indacen-8 ylidenemethyl)-amino]-N-pyridin-2-yl-benzenesulfonamide,4-[(7-Oxo-6,7-dihydro-1-thia-3,6-diaza-as-indacen-8-ylidenemethyl)-amino]-N-pyridin-2-yl-benzenesulfonamide,4-[(7-oxo-6H-pyrrolo[2,3-g][1,3]benzothiazol-8-ylidene)methylamino]-N-pyridin-2-ylbenzenesulfonamide C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC=C3C4=C(C=CC5=C4SC=N5)NC3=O
Mol CDK2 inhibitor II 222035-13-4 2 Confirmed: Jorda et. al.(kinase assay) cmpd 3, cmpd 16 2001 0.78 0.06a n.d. n.d. n.d. n.d. n.d. n.d. n.d. 2 Science. 2001 Jan 5;291(5501):134-7; J Med Chem. 2001 Dec 6;44(25):4339-58. Cdk2 Inhibitor II,MLS001174919,IN1383,SMR000592222,4-[2-(5-bromo-2-oxoindol-3-yl)hydrazinyl]benzenesulfonamide,AC1NYLC3,Oxindole-Based Inhibitor 16,BDBM7680,CHEMBL411491,CHEMBL1532112,SCHEMBL15317870,BDBM69898,cid_5858639,CTK8F8507,MolPort-027-672-375,HMS2890M19,HMS3229D07,Compound 3 and Cdk2 Inhibitor II,ZINC100375608,J-014585,Z56762940,4-[(5-bromo-2-oxo-3-indolyl)hydrazo]benzenesulfonamide,T0500-8708,4-[2-(5-Bromo-2-oxoindoline-3-ylidene)hydrazino]benzenesulfonamide,4-[N''-(5-bromo-2-keto-indol-3-yl)hydrazino]benzenesulfonamide,4-[2-(5-bromanyl-2-oxidanylidene-indol-3-yl)hydrazinyl]benzenesulfonamide,4-[2-(5-bromo-2-hydroxy-3H-indol-3-ylidene)hydrazin-1-yl]benzene-1-sulfonamide,4-[2-(5-Bromo-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-hydrazino]benzenesulfonamide,222035-13-4,4-{2-[(3Z)-5-bromo-2-oxo-2,3-dihydro-1H-indol-3-ylidene]hydrazin-1-yl}benzene-1-sulfonamide C1=CC(=CC=C1NNC2=C3C=C(C=CC3=NC2=O)Br)S(=O)(=O)N
Mol SU9516 377090-84-1 2 Disputed: Jorda et. al.(kinase assay) 2001 0.04; 0.23 0.082 0.022; 0.031 n.d. 0.2; 1.4 n.d. n.d. n.d. n.d. 300 Cancer Res. 2001 Aug 15;61(16):6170-7; Biochem Biophys Res Commun. 2003 Oct 24;310(3):1026-31.. SU9516,SU 9516,377090-84-1,SU-9516,AC1NRD9P,(Z)-3-((1H-imidazol-5-yl)methylene)-5-methoxyindolin-2-one,(3Z)-3-(1H-IMIDAZOL-5-YLMETHYLENE)-5-METHOXY-1H-INDOL-2(3H)-ONE,(3Z)-3-(1H-imidazol-5-ylmethylidene)-5-methoxy-2,3-dihydro-1H-indol-2-one,3-[1-(3H-Imidazol-4-yl)-meth-(Z)-ylidene]-5-methoxy-1,3-dihydro-indol-2-one,SU9,3py0,3py1,imidazole indolinone driv.,MLS001074893,BDBM7238,CHEMBL258805,GTPL6045,SCHEMBL1170686,SCHEMBL1170687,REGID_for_CID_659436,cid_5289419,AOB6095,BRD3909,EX-A523,(Z)-1,3-DIHYDRO-3-(1H-IMIDAZOL-4-YLMETHYLENE)-5-METHOXY-2H-INDOL-2-ONE,CHEBI:113546,MolPort-023-276-597,MolPort-028-617-516,REGID_for_CID_5289419,HMS2234A17,HMS3229O20,BRD-3909,2734AH,DNC010324,HSCI1_000180,MFCD05865243,MFCD17010284,s7636,ZINC14806879,AKOS024457328,AKOS030525240,CCG-206887,CS-3508,DB03428,NCGC00094244-01,NCGC00094244-02,NCGC00094244-03,NCGC00094244-04,NCGC00094244-05,NCGC00094244-06,AK279865,BC600636,DA-42601,HY-18629,QC-11744,SMR000568413,KB-309047,RT-015802,EU-0100938,SU 9516, >=98% (HPLC), crystalline,K00031,BRD-K94883909-001-01-1,3-((1H-Imidazol-4-yl)methylene)-5-methoxyindolin-2-one,(Z)-3-((1H-imidazol-4-yl)methylene)-5-methoxyindolin-2-one,(3Z)-3-(1H-imidazol-5-ylmethylidene)-5-methoxy-1H-indol-2-one,(3Z)-3-(3H-imidazol-4-ylmethylidene)-5-methoxy-1H-indol-2-one,3-(1H-Imidazol-4-ylmethylene)-5-methoxy-1,3-dihydro-indol-2-one,3-(3h-imidazol-4-ylmethylene)-5-methoxy-1,3-dihydro-indol-2-one,S7636,377090-84-1,(3Z)-1,3-dihydro-3-(1H-imidazol-5-ylmethylene)-5-methoxy-2H-indol-2-one,(Z)-3-((1H-imidazol-4-yl)methylene)-5-methoxyindolin-2-one(SU 3-[1-(3H-Imidazol-4-yl)-meth-(Z)-ylidene]-5-methoxy-1,3-dihydro-indol-2-one COC1=CC\2=C(C=C1)NC(=O)/C2=C\C3=CN=CN3
Mol NU6140 444723-13-1 2 Disputed: Jorda et. al.(kinase assay) CDK2 inhibitor IV 2005 6.6 n.d. 0.41 n.d. 5.5 15 n.d. 3.9 n.d. 300 Mol Cancer Ther. 2005 Sep;4(9):1328-37. Cdk2 Inhibitor IV, NU6140,444723-13-1,NU 6140,NU6140,CHEMBL1802728,4-(6-Cyclohexylmethoxy-9H-purin-2-ylamino)-N,N-diethylbenzamide,IN1369,Cdk2 inhibitor IV,GTPL5949,SCHEMBL2169233,CTK8E7940,DTXSID30436732,MolPort-023-276-742,HMS3229E18,BDBM50347924,ZINC22309248,AKOS024457537,CCG-206836,HE343673,NU6140, >=98% (HPLC),RT-011957,4-(6-cyclohexylmethoxy-9hpurin-2-ylamino)-N,N-diethyl-benzamide,4-[[6-(Cyclohexylmethoxy)-1H-purin-2-yl]amino]-N,N-diethylbenzamide,4-{[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino}-N,N-diethylbenzamide CCN(CC)C(=O)C1=CC=C(C=C1)NC2=NC3=C(C(=N2)OCC4CCCCC4)NC=N3
Mol Milciclib 802539-81-7 2 Disputed: Jorda et. al.(kinase assay) PHA848125, cmpd 28 2009 0.398 0.363 0.045 n.d. 0.16 n.d. n.d. 0.15 1.112a TRKA 43 J Med Chem. 2009 Aug 27;52(16):5152-63; Proc Natl Acad Sci U S A. 2010 Aug 17;107(33):14621-6. PHA-848125,Milciclib,802539-81-7,PHA 848125,UNII-688000M8S8,PHA848125,4,5-dihydro-N,1,4,4-tetramethyl-8-[[4-(4-methyl-1-piperazinyl)phenyl]amino]-1H-Pyrazolo[4,3-h]quinazoline-3-carboxamide,688000M8S8,N,1,4,4-tetramethyl-8-(4-(4-methylpiperazin-1-yl)phenylamino)-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxamide,Milciclib (PHA-848125),Milciclib PHA 848125,MLS006011032,PHA-848125(Milciclib),SCHEMBL619139,CHEMBL564829,GTPL7938,PHA-848125 - Milciclib,BDBM31545,C25H32N8O,DTXSID80230186,MolPort-021-804-994,RXZMYLDMFYNEIM-UHFFFAOYSA-N,BCPP000109,HMS3656P21,AOB87199,ABP000843,MMV676602,s2751,ZINC53119602,AKOS030231455,CS-0579,QC-2640,RL05091,NCGC00346673-01,1H-Pyrazolo(4,3-h)quinazoline-3-carboxamide, 4,5-dihydro-n,1,4,4-tetramethyl-8-((4-(4-methyl-1-piperazinyl)phenyl)amino)-,BC638599,HY-10424,KB-59517,PL009272,SC-85447,SMR004700646,AB0008066,DB-075668,PHA-848125/PHA848125,FT-0732566,Y0330,pyrazolo[4,3-h]quinazoline-3-carboxamide, 28,W-5678,J-523919,PHA-848125,CAS:802539-81-7,802539-81-7 , C25H32N8O , PHA848125 , PHA 848125,8-[4-(4-methyl-piperazin-1-yl)-phenylamino]-1,4,4-trimethyl-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxylic acid methylamide,802540-32-5,N,1,4,4-tetramethyl-8-[[4-(4-methylpiperazin-1-yl)phenyl]amino]-5H-pyrazolo[4,5-h]quinazoline-3-carboxamide,N,1,4,4-tetramethyl-8-[4-(4-methylpiperazin-1-yl)anilino]-5H-pyrazolo[4,3-h]quinazoline-3-carboxamide,N,1,4,4-TETRAMETHYL-8-{[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]AMINO}-1H,4H,5H-PYRAZOLO[4,3-H]QUINAZOLINE-3-CARBOXAMIDE,N,1,4,4-tetramethyl-8-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-5H-pyrazolo[4,3-h]quinazoline-3-carboxamide,pha 848125;4,5-dihydro-n,1,4,4-tetramethyl-8-((4-(4-methyl-1-piperazinyl)phenyl)amino)-1h-pyrazolo(4,3-h)quinazoline-3-carboxamide CC1(CC2=CN=C(N=C2C3=C1C(=NN3C)C(=O)NC)NC4=CC=C(C=C4)N5CCN(CC5)C)C
Mol PHA690509 492445-28-0 2 2010 0.160a 0.031a n.d. n.d. >10a 0.09a n.d. n.d. 0.141a 6 Proc Natl Acad Sci U S A. 2010 Aug 17;107(33):14621-6. CCCC1=CN=C(S1)NC(=O)C(C)C2=CC=C(C=C2)NC(=O)C
Mol NU6300 - 2 2015 n.d. n.d. 1.31 n.d. n.d. n.d. n.d. n.d. n.d. 131 Chem Biol. 2015 Sep 17;22(9):1159-64. C=CS(=O)(=O)C1=CC=C(C=C1)NC2=NC3=C(C(=N2)OCC4CCCCC4)NC=N3
Mol K03861 853299-07-7 2 2015 n.d. n.d. >10 n.d. n.d. n.d. n.d. n.d. n.d. 1 ACS Chem Biol. 2015 Sep 18;10(9):2116-25. CN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)NC3=CC=C(C=C3)OC4=NC(=NC=C4)N)C(F)(F)F
Mol 3-ATA 12982-10-85 4+6 NSC680434 1999 n.d. >100 >100 n.d. 3.1 n.d. n.d. n.d. n.d. 4 Clin Cancer Res. 1999 Dec;5(12):4279-86. Nc1ccc2C(=S)c3ccccc3Nc2c1
Mol NSC625987 141992-47-4 4+6 Disputed: Jorda et. al.(kinase assay) CDK4 inhibitor II 1999 n.d. >100 >100 n.d. 0.2 n.d. n.d. n.d. n.d. 300 Clin Cancer Res. 1999 Dec;5(12):4279-86. NSC 625987,141992-47-4,NSC625987,1,4-Dimethyoxy-9(10H)-acridinone,1,4-dimethoxy-10H-acridine-9-thione,1,4-Dimethoxyacridine-9(10H)-thione,Cdk4 Inhibitor II, NSC 625987,1,4-Dimethoxy-9(10H)-acridinethione,1,4-Dimethoxy-9-thio(10H)-acridone,Cdk4 inhibitor II,Tocris-2152,AC1MHG8N,GTPL5951,SCHEMBL1985563,CHEMBL1331734,BDBM59089,CTK8E8851,DTXSID90161912,CHEBI:114175,MolPort-003-983-787,HMS2043P07,HMS3229E06,HMS3268N07,ZINC6404102,BS0129,MFCD08276925,9(10H)-Acridinethione,4-dimethoxy-,AKOS022488648,CCG-206829,NSC-625987,SMP2_000076,NCGC00025358-01,NCI60_008225,B6956,FT-0711674,1,4-dimethoxy-9,10-dihydroacridine-9-thione,NSC 625987, >=97% (HPLC),J-007574,BRD-K62949423-001-02-3 COC1=C2C(=C(C=C1)OC)NC3=CC=CC=C3C2=S
Mol Ryuvidine 265312-55-8 4+6 Disputed: Jorda et. al.(kinase assay) CDK4 inhibitor III, cmpd 5g 2000 n.d. n.d. >200 n.d. 6 n.d. n.d. n.d. n.d. PKMT 300 Bioorg Med Chem Lett. 2000 Mar 6;10(5):461-4. Cdk4 Inhibitor 2-METHYL-5-[(4-METHYLPHENYL)AMINO]-4,7-BENZO[D]THIAZOLEDION E CC1=CC=C(C=C1)NC2=CC(=O)C3=C(C2=O)N=C(S3)C
Mol Fascaplysin 114719-57-2 4+6 2000 >100 >50 >50 n.d. 0.35 n.d. 3.4 n.d. n.d. 300 Biochem Biophys Res Commun. 2000 Sep 7;275(3):877-84. Fascaplysin,Fascaplysine,Fascaplisine,114719-57-2,Fascaplysin, Synthetic,CHEMBL258765,NSC622398,NSC-622398,Pyrido(1,2a:3,4-b')diindol-5-ium, 12,13-dihydro-13-oxo-, chloride,GNF-PF-1458,20-OXO-3,13??-DIAZAPENTACYCLO[11.7.0.0(2),(1)?.0?,?.0(1)?,(1)?]ICOSA-1(13),2(10),4(9),5,7,11,14(19),15,17-NONAEN-13-YLIUM CHLORIDE,Fascaplysin chloride,AC1L2JLV,AC1Q1SMQ,SCHEMBL15531753,HMS3229G10,13-oxo-12,13-dihydropyrido[1,2-a:3,4-b']diindol-5-ium chloride,DNC000638,CCG-206840,DR001271,PL042225,LS-184320,RT-012697,J-003125,Pyrido[1,4-b']diindol-5-ium, 12,13-dihydro-13-oxo-,chloride C1=CC=C2C(=C1)C3=C(N2)C4=[N+](C=C3)C5=CC=CC=C5C4=O.[Cl-]
Mol CINK4 359886-84-3 4+6 Disputed: Jorda et. al.(kinase assay) CDK4/6 inhibitor IV 2001 >100 >50 >50 n.d. 1.5 n.d. 5.6 n.d. n.d. 12 J Natl Cancer Inst. 2001 Mar 21;93(6):436-46. CHEMBL1242367,359886-84-3,Cdk4/6 Inhibitor IV,SCHEMBL14040726,SCHEMBL14334441,SCHEMBL14334442,CHEBI:91456,MolPort-028-912-818,HMS2043N19,BDBM50378824,CINK4, >=95% (HPLC),AKOS016358850,ZINC101499579,CGP-082996,NCGC00346952-01 CCNC1=NC(=NC(=C1)NC2CCC(CC2)O)NC3=CC4=C(C=C3)N(C=C4)CC5=CC=CC=C5
Mol Arcyriaflavin A 118458-54-1 4+6 Disputed: Jorda et. al.(kinase assay) cmpd 3 2003 1.13 0.9 n.d. n.d. 0.14 n.d. n.d. n.d. n.d. CaMKII 6 Bioorg Med Chem Lett. 2003 Nov 3;13(21):3835-9. arcyriaflavin a,118458-54-1,Arcyriaflavin A, Synthetic,12,13-Dihydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6H)-dione,CHEMBL268368,STAUROSPORINE AGLYCON,BDBM2672,SCHEMBL8124103,CHEBI:93276,CTK8F0260,DTXSID50416132,QCR-238,MolPort-020-173-156,HMS3229B05,HMS3269E19,ZINC12354940,AKOS024457112,NCGC00159573-01,PL042829,B7063,FT-0701521,J-003757,BRD-K72726508-001-01-3,5H-Indolo[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6H)-dione, 12,13-dihydro-,6,7,12,13-Tetrahydro-5,7-dioxo-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazole,3,13,23-TRIAZAHEXACYCLO[14.7.0.0(2),(1)?.0?,?.0(1)(1),(1)?.0(1)?,(2)(2)]TRICOSA-1,4,6,8,10,15,17,19,21-NONAENE-12,14-DIONE,3,13,23-triazahexacyclo[14.7.0.0^{2,10}.0^{4,9}.0^{11,15}.0^{17,22}]tricosa-1(16),2(10),4(9),5,7,11(15),17(22),18,20-nonaene-12,14-dione C1=CC=C2C(=C1)C3=C4C(=C5C6=CC=CC=C6NC5=C3N2)C(=O)NC4=O
Mol CDK4 inhibitor 546102-60-7 4+6 Disputed: Jorda et. al.(kinase assay) cmpd 4d 2003 2.1 0.52 n.d. n.d. 0.076 n.d. n.d. n.d. n.d. 300 J Med Chem. 2003 May 22;46(11):2027-30. Cdk4 Inhibitor,Indolocarbazole deriv. Cdk4{17,22}]tricosa-1(16),2(10),4,6,8,11(15),17,19,21-nonaene-12,14-dione C1=CC=C2C(=C1)C3=C4C(=C5C6=C(C=C(C=C6)Br)NC5=C3N2)C(=O)NC4=O
Mol Palbociclib 571190-30-2 4+6 Confirmed: Jorda et. al.(kinase assay) PD0332991 2004 >10; >3 >10; >3 >10; 1.6 >3 0.011 >10; 1.8 n.d. >3 0.42 274 Mol Cancer Ther. 2004 Nov;3(11):1427-38; Mol Cancer Ther. 2016 Oct;15(10):2273-2281. Palbociclib,571190-30-2,PD0332991,PD-0332991,Ibrance,PD 0332991,2euf,UNII-G9ZF61LE7G,Palbociclib(PD0332991),S1116_Selleck,PD-332991,Kinome_3823,Kinome_3824,AC1NS8RV,6-acetyl-8-cyclopentyl-5-methyl-2-((5-(piperazin-1-yl)pyridin-2-yl)amino)pyrido[2,3-d]pyrimidin-7(8H)-one,6-Acetyl-8-cyclopentyl-5-methyl-2-[[5-(piperazin-1-yl)pyridin-2-yl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one,G9ZF61LE7G,PD 332991,CHEMBL189963,6-Acetyl-8-cyclopentyl-5-methyl-2-(5-piperazin-1-ylpyridin-2-ylamino)-8H-pyrido(2,3-d)pyrimidin-7-one,CHEBI:85993,MFCD11840850,CID5330286,6-ACETYL-8-CYCLOPENTYL-5-METHYL-2-[(5-PIPERAZIN-1-YLPYRIDIN-2-YL)AMINO]PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE,AK173631,LQQ,C24H29N7O2,PD 332991, PD 0332991, PD0332991,PD 332991, PD 0332991, 827022-32-2,6-acetyl-8-cyclopentyl-5-methyl-2-[(5-piperazin-1-ylpyridin-2-yl)amino]pyrido[2,3-d]pyrimidin-7-one,6-acetyl-8-cyclopentyl-5-methyl-2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one,Pyrido(2,3-d)pyrimidin-7(8H)-one, 6-acetyl-8-cyclopentyl-5-methyl-2-((5-(1-piperazinyl)-2-pyridinyl)amino)-,EC-000.2350,571190-30-2 pound not827022-32-2,Palbociclib [USAN:INN],PF-00080665-73,Ibrance (TN),Palbociclib free base,PubChem16671,S1116___Selleck,Palbociclib PD 0332991,AHJRHEGDXFFMBM-UHFFFAOYSA-N,MolPort-009-679-393,OTAVA-BB 1115529,BCPP000125,HMS3265M09,HMS3265M10,HMS3265N09,HMS3265N10,AOB87334,EBD24067,HMR-2934,ZINC3938686,ABP000842,DCL000365,DCL000836,DCL001075,AKOS022205241,BCP9001058,CA10003,DB09073,KIN0000560,Pyrido-[2,3-d]-pyrimidin-7-one 43,NCGC00263129-01,AC-25485,AN-16841,BC654107,HE068889,HE354538,HY-50767,KB-79781,SC-92588,PD0332991-Supplied by Selleck Chemicals,AX8167187,PD-033299,FT-0697059,X7379,D10372,Z-3143,190P302,PD 0332991,PD0332991,PD-0332991-0054,A1-04309,PD-0332991, PD0332991,S14-2748,BRD-K51313569-001-01-1,P-0332991,PD-0332991/PD0332991,PD332991,PD0332991, PD 332991, PD 0332991,6-Acetyl-8-cyclopentyl-5-methyl-2-(5-piperazin-1-yl-pyridin-2-ylamino)-8H-pyrido[2,3-d]pyrimidin-7-one,6-acetyl-8-cyclopentyl-5-methyl-2-(5-piperazin-1-yl-pyridin-2-ylamino)-8h-pyrido[2,3-d]pyrimidin-7-one hydrochloride,6-acetyl-8-cyclopentyl-5-methyl-2-[(5-piperazin-1-yl-2-pyridyl)amino]pyrido[2,3-d]pyrimidin-7-one,6-acetyl-8-cyclopentyl-5-methyl-2-[(5-piperazin-1-ylpyridin-2-yl)amino] pyrido[2,3-d]pyrimidin-7-one,6-acetyl-8-cyclopentyl-5-methyl-2-[(5-piperazin-1-ylpyridin-2-yl)amino]pyrido[6,5-d]pyrimidin-7-one,6-acetyl-8-cyclopentyl-5-methyl-2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}-7H,8H-pyrido[2,3-d]pyrimidin-7-one,6-ACETYL-8-CYCLOPENTYL-5-METHYL-2-{[5-(PIPERAZIN-1-YL)PYRIDIN-2-YL]AMINO}PYRIDO[2,3-D]PYRIMIDIN-7-ONE,8-cyclopentyl-6-acetyl-5-methyl-2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}-7H,8H-pyrido[2,3-d]pyrimidin-7-one CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)C
Mol CDK4 inhibitor V 943746-57-4 4+6 Disputed: Jorda et. al.(kinase assay) cmpd 100b 2009 25.3 1.6 n.d. n.d. 0.03 n.d. n.d. n.d. n.d. 3 J Med Chem. 2009 Apr 23;52(8):2289-310. O=C1NC(/C(C2=C1C=CC(I)=C2)=C\NCC3=NC=C(OCCC)C(O)=C3)=O
Mol Abemaciclib 1231930-82-7 4+6 Confirmed: Jorda et. al.(kinase assay) LY2835219 2014 1.627; 0.57 0.504; 0.32 0.024 0.47 0.002; 0.00057 0.355; 0.2 0.0099 3.91; 0.65 0.057; 0.019 456 Invest New Drugs. 2014 Oct;32(5):825-37; Mol Cancer Ther. 2016 Oct;15(10):2273-2281. 1231930-82-7,LY2835219,Abemaciclib mesylate,UNII-KKT462Q807,Abemaciclib methanesulfonate,N-(5-((4-ethylpiperazin-1-yl)methyl)pyridin-2-yl)-5-fluoro-4-(4-fluoro-1-isopropyl-2-methyl-1H-benzo[d]imidazol-6-yl)pyrimidin-2-amine methanesulfonate,KKT462Q807,bemaciclib,LY-2835219 methanesulfonate,LY2835219 Mesylate,LY2835219(Abemaciclib),SCHEMBL3447033,DTXSID90856159,QCR-274,C27H32F2N8.CH4O3S,MolPort-035-395-775,HMS3653K13,AOB87774,2528AH,ABP001165,MFCD25562906,s7158,AKOS025404843,CS-1229,KS-0000062Q,2-Pyrimidinamine, N-(5-((4-ethyl-1-piperazinyl)methyl)-2-pyridinyl)-5-fluoro-4-(4-fluoro-2-methyl-1-(1-methylethyl)-1H-benzimidazol-6-yl)-, methanesulfonate (1:1),4CA-0784,AK174797,BC600446,HE302691,HY-16297,KB-78247,FT-0751155,W-6049,Methanesulfonic acid--N-{5-[(4-ethylpiperazin-1-yl)methyl]pyridin-2-yl}-5-fluoro-4-[4-fluoro-2-methyl-1-(propan-2-yl)-1H-benzimidazol-6-yl]pyrimidin-2-amine (1/1),N-(5-((4-Ethylpiperazin-1-yl)methyl)pyridin-2-yl)-5-fluoro-4-(4-fluoro-1-isopropyl-2-methyl-1H-benzo[d]imidazol-6-yl)pyrimidin-2-amine meth,N-[5-[(4-Ethyl-1-piperazinyl)methyl]-2-pyridinyl]-5-fluoro-4-[4-fluoro-2-methyl-1-(1-methylethyl)-1H-benzimidazol-6-yl]-2-pyrimidinamine Methanesulfonate,N-[5-[(4-ethylpiperazin-1-yl)methyl]pyridin-2-yl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimi CCN1CCN(CC1)CC2=CN=C(C=C2)NC3=NC=C(C(=N3)C4=CC5=C(C(=C4)F)N=C(N5C(C)C)C)F.CS(=O)(=O)O
Mol ON123300 1357470-29-1 4+6 Disputed: Jorda et. al.(kinase assay) cmpd 7x 2014 1.359 1.353 0.159 1.776a 0.00387 0.258 0.00982 >10 0.19 Ark5 285 J Med Chem. 2014 Feb 13;57(3):578-99. ON123300,1357470-29-1,UNII-QJ8RO3296G,ON-123300,QJ8RO3296G,CHEMBL3115681,SCHEMBL10050883,EX-A1111,BDBM50447512,MFCD28411414,s8161,AKOS030526450,ZINC103269269,CS-5570,HY-12624,Pyrido(2,3-d)pyrimidine-6-carbonitrile, 8-cyclopentyl-7,8-dihydro-2-((4-(4-methyl-1-piperazinyl)phenyl)amino)-7-oxo-,8-cyclopentyl-2-((4-(4-methylpiperazin-1-yl)phenyl)amino)-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile,8-Cyclopentyl-2-[4-(4-methyl-piperazine-1-yl)-phenylamino]-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile CN1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C4C=C(C(=O)N(C4=N3)C5CCCC5)C#N
Mol AMG925 1401033-86-0 4+6 FLX925 2014 1.9 n.d. 0.375 n.d. 0.003 n.d. 0.008 n.d. n.d. FLT3 442 Mol Cancer Ther. 2014 Apr;13(4):880-9. AMG 925,1401033-86-0,AMG-925,UNII-RB6Y814V4I,RB6Y814V4I,2-hydroxy-1-(2-((9-((1r,4r)-4-methylcyclohexyl)-9H-pyrido[4',3':4,5]pyrrolo[2,3-d]pyrimidin-2-yl)amino)-7,8-dihydro-1,6-naphthyridin-6(5H)-yl)ethanone,CHEMBL3237719,SCHEMBL12540289,SCHEMBL12540291,SCHEMBL12691585,MolPort-039-193-832,BDBM112464,AOB87397,MFCD28155269,s7533,AKOS025404929,ZINC144511144,ZINC253387849,CS-2486,AK174929,Ethanone, 1-(7,8-dihydro-2-((9-(trans-4-methylcyclohexyl)-9H-pyrido(4',3':4,5)pyrrolo(2,3-d)pyrimidin-2-yl)amino)-1,6-naphthyridin-6(5H)-yl)-2-hydroxy-,HY-15889,B3277,US8623885, 5,2-HYDROXY-1-(2-((9-((1R,4R)-4-METHYLCYCLOHEXYL)-9H-PYRIDO[4,3:4,5]PYRROLO[2,3-D]PYRIMIDIN-2-YL)AMINO)-7,8-DIHYDRO-1,6-NAPHTHYRIDIN-6(5H)-YL)ETHANONE CC1CCC(CC1)N2C3=C(C=CN=C3)C4=CN=C(N=C42)NC5=NC6=C(CN(CC6)C(=O)CO)C=C5
Mol Ribociclib 1211441-98-3 4+6 Confirmed: Jorda et. al.(kinase assay) LEE011 2016 >3 >3 >3 >3 n.d. >3 n.d. >3 0.68 274 Mol Cancer Ther. 2016 Oct;15(10):2273-2281. Ribociclib,LEE011,1211441-98-3,LEE-011,Kisqali,Ribociclib(LEE011),UNII-TK8ERE8P56,LEE 011,TK8ERE8P56,7-cyclopentyl-N,N-dimethyl-2-((5-(piperazin-1-yl)pyridin-2-yl)amino)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide,Ribociclib, LEE011,Ribociclib (LEE011),LEE011A,AK174906,7-cyclopentyl-2-(5-piperazin-1-yl-pyridin-2-ylamino)-7H-pyrrolo [2,3-d]pyrimidine-6-carboxylic acid dimethylamide,7-cyclopentyl-N,N-dimethyl-2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide,Ribociclib [USAN:INN],Kisqali (TN),Tube013,Ribociclib (USAN/INN),NVP-LEE011,SCHEMBL302310,GTPL7383,CHEMBL3545110,EX-A304,SYN1213,MolPort-035-395-865,RHXHGRAEPCAFML-UHFFFAOYSA-N,BDBM148264,HMS3653N03,example 74 [US8962630],AOB87725,LEE011-2,2513AH,MFCD27976795,s7440,ZINC72316335,AKOS025404915,AKOS032949987,ACN-040728,CS-1750,DB11730,KS-0000068T,BC600363,HY-15777,AX8322700,KB-308551,FT-0700117,D10883,US8962630, 74,J-690066,S7440,1211441-98-3,6-(1H-Indazol-6-yl)-N-[4-(4-morpholinyl)phenyl]-Imidazo[1,2-a]pyrazin-8-amine,6ZZ,7-cyclopentyl-2-(5-piperazin-1-yl-pyridin-2-ylamino)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid dimethylamide CN(C)C(=O)C1=CC2=CN=C(N=C2N1C3CCCC3)NC4=NC=C(C=C4)N5CCNCC5
Mol G1T28 1374743-00-6 4+6 Trilaciclib hydrochloride 2016 n.d. 2.51 1.29 n.d. 0.001 1.71 n.d. 4.64 0.05 468 Mol Cancer Ther. 2016 May;15(5):783-93. CN1CCN(CC1)C2=CN=C(C=C2)NC3=NC=C4C=C5C(=O)NCC6(N5C4=N3)CCCCC6.Cl.Cl
Mol Hymenidin 107019-95-4 5 2-Debromooroidin, cmpd 13 2000 >100 n.d. n.d. n.d. n.d. 4 n.d. n.d. n.d. GSK-3beta 4 Chem Biol. 2000 Jan;7(1):51-63. Hymenidin,107019-95-4,UNII-3P6464ZQCD,AC1O5QZ5,3P6464ZQCD,CHEMBL3621636,ZINC5116960,HE293575,OR066469,RT-013292,J-001690,1H-Pyrrole-2-carboxamide, N-(3-(2-amino-1H-imidazol-4-yl)-2-propenyl)-4-bromo-, (E)-,N-[(E)-3-(2-amino-1H-imidazol-5-yl)prop-2-enyl]-4-bromo-1H-pyrrole-2-carboxamide C1=C(NC=C1Br)C(=O)NC/C=C/C2=CN=C(N2)N
Mol BS181 1092443-52-1 7 Confirmed: Jorda et. al.(kinase assay) 2009 8.1 0.88 n.d. n.d. 33 n.d. 47 0.021 4.2 70 Cancer Res. 2009 Aug 1;69(15):6208-15. BS-181,1092443-52-1,UNII-75M620LLBN,CHEMBL1801932,N5-(6-aminohexyl)-N7-benzyl-3-isopropylpyrazolo[1,5-a]pyrimidine-5,7-diamine,5-N-(6-aminohexyl)-7-N-benzyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine,N5-(6-Aminohexyl)-3-isopropyl-N7-benzylpyrazolo[1,5-a]pyrimidine-5,7-diamine,C22H32N6,BS-181 free base,75M620LLBN,GTPL9405,SCHEMBL10123390,CHEBI:95059,EX-A585,3510AH,BDBM50347389,BS 181;BS181,MFCD22056527,ZINC43207770,AKOS026750277,CS-0490,RL00395,NCGC00346553-01,AK229334,HE294616,HY-13266,KB-75796,Pyrazolo(1,5-a)pyrimidine-5,7-diamine, N5-(6-aminohexyl)-3-(1-methylethyl)-N7-(phenylmethyl)-,W-5855,J-523430,N5-(6-aminohexyl)-3-(1-methylethyl)-N7-(phenylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine CC(C)C1=C2N=C(C=C(N2N=C1)NCC3=CC=CC=C3)NCCCCCCN
Mol LDC4297 1453834-21-3 7 LDC044297 2014 0.0537a 0.0064a n.d. n.d. >10a n.d. >10a <0.005a; 0.00013a 1.7113a >330 Mol Cell Biol. 2014 Oct 1;34(19):3675-88; Antimicrob Agents Chemother. 2015 Apr;59(4):2062-71. LDC4297,1453834-21-3,SCHEMBL15224676,LDC-4297,s7992,LDC 4297;LDC-4297,ACN-045522,CS-6871,HY-12653,LDC4297 (LDC044297) CC(C)C1=C2N=C(N=C(N2N=C1)NCC3=CC=CC=C3N4C=CC=N4)OC5CCCNC5
Mol THZ1 1604810-83-4 7 CDK7 inhibitor VIII 2014 n.d. n.d. n.d. n.d. n.d. n.d. n.d. 0.0032a n.d. 251 Nature. 2014 Jul 31;511(7511):616-20. CN(C)C/C=C/C(=O)NC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)C4=CNC5=CC=CC=C54)Cl
Mol THZ2 1604810-84-5 7 2015 0.0969a 0.222a n.d. n.d. n.d. 0.134a n.d. 0.0139a 0.194a 449 Cell. 2015 Sep 24;163(1):174-86. CN(C)C/C=C/C(=O)NC1=CC=CC(=C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)C4=CNC5=CC=CC=C54)Cl
Mol CAN508 140651-18-9 9 CDK9 inhibitor II, CAY10574, cmpd 31b 2006 44 20 69 n.d. 13.5 n.d. n.d. 26 0.35 15 J Med Chem. 2006 Nov 2;49(22):6500-9. Cdk9 Inhibitor II,140651-18-9,UNII-ZG0O47K626,4-(3,5-Diamino-1H-pyrazol-4-ylazo)-phenol,IN1367,Phenol, 4-((3,5-diamino-1H-pyrazol-4-yl)azo)-,4-[(E)-(3,5-Diamino-1h-Pyrazol-4-Yl)diazenyl]phenol,4-[(E)-2-(3,5-diamino-1H-pyrazol-4-yl)diazen-1-yl]phenol,F18,Phenol, 4-[(3,5-diamino-1H-pyrazol-4-yl)azo]-,2clx,3tnh,CAN-508,3tn8,SCHEMBL922292,CAN508,CHEMBL215205,SCHEMBL3310182,CHEMBL1823556,SCHEMBL12589685,BDBM12028,CTK8F0280,Phenol, 4-(2-(3,5-diamino-1H-pyrazol-4-yl)diazenyl)-,MolPort-003-761-516,HMS3229D19,ZG0O47K626,1666AH,BDBM50352019,DNC006929,NSC741614,AKOS000272941,ZINC100035856,ZINC100424605,ZINC238881687,DB07731,NSC-741614,4-Arylazo-3,5-diamino-1H-pyrazole 31b,HE245829,RT-011961,3,5-diamino-4-(4-hydroxyphenyl)azopyrazole,4-[(3,5-Diamino-1H-pyrazole-4-yl)azo]phenol,4-[(3,5-diamino-1H-pyrazol-4-yl)diazenyl]phenol,J-007412,4-[2-(3,5-diamino-1H-pyrazol-4-yl)diazen-1-yl]phenol,4-?[(3,?5-?DIAMINO-?1H-?PYRAZOL-?4-?YL)AZO]-?PHENOL C1=CC(=O)C=CC1=NNC2=C(NN=C2N)N
Mol PHA767491 845714-00-3 9 Confirmed: Jorda et. al.(kinase assay) CAY10572 2008 0.25a 0.24a n.d. n.d. n.d. 0.46a n.d. >10a 0.034a Cdc7 40 Nat Chem Biol. 2008 Jun;4(6):357-65. PHA-767491,845714-00-3,PHA-767491 (CAY10572),PHA 767491,CAY10572(PHA-767491),2-Pyridin-4-yl-1,5,6,7-tetrahydro-pyrrolo[3,2-c]pyridin-4-one,845714-00-3 pound not PHA767491 pound not PHA 767491,1,5,6,7-Tetrahydro-2-(4-pyridinyl)-4H-pyrrolo[3,2-c]pyridin-4-one,Pyrrolopyridinone, 1,Cdc7/Cdk9 Inhibitor,Kinome_2973,pha-767491Hcl,JMC502647 Compound 8,MLS006011036,CHEMBL225519,GTPL8763,SCHEMBL4767679,BDBM27344,CHEBI:95058,CTK8F8505,DTXSID50471069,MolPort-009-019-436,HMS3229B21,HMS3656P19,2-(pyridin-4-yl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4(5H)-one,2651AH,DNC007421,IN2279,MFCD11870790,PHA767491,s2742,ZINC16052718,AKOS026674124,compound 8 [PMID: 17480064],CS-1208,NCGC00346723-01,AK198955,HE264275,HY-13461,SMR004702829,KB-335009,FT-0700494,W-5495,2-(pyridin-4-yl)-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one,2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one,CAY-10572|||2-Pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one,1,?5,?6,?7-?TETRAHYDRO-?2-?(4-?PYRIDINYL)-?4H-?PYRROLO[3,?2-?C]PYRIDIN-?4-?ONE C1CNC(=O)C2=C1NC(=C2)C3=CC=NC=C3
Mol Wogonin 632-85-9 9 Vogonin 2011 n.d. n.d. n.d. n.d. n.d. n.d. n.d. 12.3 0.19 N-acetyltransferase 2 Cell Death Dis. 2011 Jul 21;2:e182. Wogonin,632-85-9,5,7-Dihydroxy-8-methoxyflavone,Vogonin,Norwogonin 8-methyl ether,4H-1-Benzopyran-4-one, 5,7-dihydroxy-8-methoxy-2-phenyl-,BRN 0287152,ST077088,CHEMBL16171,FLAVONE, 5,7-DIHYDROXY-8-METHOXY-,CHEBI:10043,XLTFNNCXVBYBSX-UHFFFAOYSA-N,5,7-Dihydroxy-8-methoxy-2-phenyl-chromen-4-one,5,7-dihydroxy-8-methoxy-2-phenyl-4H-chromen-4-one,5,7-dihydroxy-8-methoxy-2-phenyl-4H-1-benzopyran-4-one,5,7-dihydroxy-8-methoxy-2-phenylchromen-4-one,Q-100730,4H-1-Benzopyran-4-one,5,7-dihydroxy-8-methoxy-2-phenyl-,UNII-POK93PO28W,wagonin,AC1NQYXJ,POK93PO28W,MLS002473006,SCHEMBL139083,CTK5B8471,DTXSID70212557,MolPort-001-742-489,HMS2270G08,ZINC899093,HY-N0400,BDBM50140257,BN0711,DNC013597,GP7400,IN1943,LMPK12111330,MFCD00017736,MFCD12828871,NSC717845,s4743,AKOS015917860,ZINC111327191,CCG-208499,CS-3959,MCULE-9854289767,NSC-717845,NCGC00247464-01,4CN-1056,AC-20338,AN-46964,BT000408,DR001010,HE205141,HE369822,LS-68974,NCI60_040649,SC-25044,SMR001397111,ZB015158,TR-021802,FT-0603499,N1283,V1530,C10197,632W859,C-17890,I14-8669,5,7-Dihydroxy-8-methoxy-2-phenyl-chromen-4-one(Wogonin),5,?7-?DIHYDROXY-?8-?METHOXY-?2-?PHENYL-?4H-?1-?BENZOPYRAN-?4-?ONE COC1=C(C=C(C2=C1OC(=CC2=O)C3=CC=CC=C3)O)O
Mol CDK9-IN-1 1415559-43-1 9 CDK9 inhibitor, cmpd 87 2011 >1 >1 n.d. >1a >1 n.d. >1 >1 0.039 8 Curr Med Chem. 2011;18(3):342-58. CDK9-IN-1,CDK9 inhibitor,1415559-43-1,C26H21N5O4S,CHEMBL3392878,CHEBI:91444,DTXSID40735344,3532AH,ZINC95641936,AKOS030526501,CS-0456,NCGC00346946-01,HY-13231,W-5866,N-[5-({6-[3-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)phenyl]pyrimidin-4-yl}amino)-2-methylphenyl]methanesulfonamide CC1=C(C=C(C=C1)NC2=NC=NC(=C2)C3=CC(=CC=C3)N4C(=O)C5=CC=CC=C5C4=O)NS(=O)(=O)C
Mol CDK-IN-2 1269815-17-9 9 Confirmed: Jorda et. al.(kinase assay) CDK inhibitor II, exampl 4 2011 n.d. n.d. n.d. n.d. n.d. n.d. n.d. n.d. <0.008 1 WO2011026917A1. CDK inhibitor II,CDK-IN-2,1269815-17-9,(R)-N-(5-chloro-4-(5-fluoro-2-methoxyphenyl)pyridin-2-yl)piperidine-3-carboxamide,SCHEMBL1438999,DTXSID60679175,AHMKHNVZGOQLRQ-LLVKDONJSA-N,2942AH,ZINC83318933,AKOS030526375,CS-0239,HY-13033,W-5803,(3R)-N-[5-chloro-4-(5-fluoro-2-methoxyphenyl)pyridin-2-yl]piperidine-3-carboxamide COC1=C(C=C(C=C1)F)C2=CC(=NC=C2Cl)NC(=O)[C@@H]3CCCNC3
Mol CDK9-IN-6 1391855-95-0 9 LK0037, example 399 2012 n.d. n.d. n.d. n.d. n.d. n.d. n.d. n.d. n.d. 0 WO2012101062A1. CDK9-IN-6,SCHEMBL12466375,SCHEMBL15378321,SCHEMBL15378323,AKOS030526475,ZINC144844460,CS-4615,HY-12214,1391855-95-0 C[C@@H](COC)NC1CCC(CC1)NC2=NC=C(C(=C2)C3=NC(=CC=C3)NCC4(CCOCC4)C#N)Cl
Mol CDKI-73 1421693-22-2 9 LS007, cmpd 12e 2013 0.004; 0.00817a 0.00327 0.003 n.d. 0.00818a n.d. 0.03768a 0.091; 0.13426a 0.004; 0.00578a 47 J Med Chem. 2013 Feb 14;56(3):640-59; Acta Pharmacol Sin. 2016 Nov;37(11):1481-1489. CDKI-73,CHEMBL2347597,SCHEMBL15525128,BDBM50431360,ZINC95605236,AKOS030526509,CS-3953,HY-12445,1421693-22-2 CC1=C(SC(=N1)NC)C2=NC(=NC=C2F)NC3=CC(=CC=C3)S(=O)(=O)N
Mol LDC000067 1073485-20-7 9 Confirmed: Jorda et. al.(kinase assay) 2014 5.513 n.d. 2.441 n.d. 9.242 n.d. n.d. >10 0.044 33 Br J Pharmacol. 2014 Jan;171(1):55-68. LDC000067,1073485-20-7,(3-((6-(2-methoxyphenyl)pyrimidin-4-yl)amino)phenyl)methanesulfonamide,CHEMBL3263773,(3-{[6-(2-methoxyphenyl)pyrimidin-4-yl]amino}phenyl)methanesulfonamide,[3-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]methanesulfonamide,LDC067,SCHEMBL4430368,EX-A898,MolPort-035-395-908,HMS3653B07,2509AH,BDBM50013510,MFCD28137788,s7461,ZINC43200921,AKOS016344681,CS-3391,AK340967,HY-15878,BB 0262648,J-690022,(3-((6-(2-Methoxyphenyl)pyrimidin-4-yl)amino)phenyl)methane,S7461,1073485-20-7,N-(3-Aminopropyl)-N-[(1R)-1-(3-anilino-7-chloro-4-oxo-3,4-dihydro-2-quinazolinyl)-3-butyn-1-yl]-3-chloro-2-fluorobenzamide COC1=CC=CC=C1C2=CC(=NC=N2)NC3=CC=CC(=C3)CS(=O)(=O)N
Mol LY2857785 1619903-54-6 9 2014 n.d. n.d. n.d. n.d. n.d. n.d. n.d. 0.246 0.011 114 Mol Cancer Ther. 2014 Jun;13(6):1442-56. LY2857785,1619903-54-6,s7511,AKOS030526612,ZINC253387903,CS-3336,HY-12293,B8002,LY 2857785;LY-2857785 CC(C)C1=C2C=C(C=CC2=NN1C)C3=NC(=NC=C3)NC4CCC(CC4)NC5CCOCC5
Mol CDK9-IN-2 1263369-28-3 9 Confirmed: Jorda et. al.(kinase assay) i-CDK9, HY16462 2015 1.7 n.d. 0.24 n.d. 1.8 n.d. n.d. 2 ???0.0004 >400 Elife. 2015 Jun 17;4:e09993. C1CC(CCC1N)NC2=NC=C(C(=C2)C3=NC(=CC=C3)NCC4=CC(=CC=C4)F)Cl Fc1cccc(c1)CNc2cccc(n2)c4cc(N[C@@H]3CC[C@H](N)CC3)ncc4Cl
Mol BAY1143572 1414943-88-6 9 Atuveciclib 2017 1.093 0.997 n.d. 0.893a n.d. n.d. n.d. >10 0.006 PTEFb, GSK3 230 ChemMedChem. 2017 Nov 8;12(21):1776-1793. BAY-1143572,1414943-88-6,SCHEMBL14061694,CS-6307,HY-12871,4-(4-fluoro-2-methoxyphenyl)-N-(3-((S-methylsulfonimidoyl)methyl)phenyl)-1,3,5-triazin-2-amine COC1=C(C=CC(=C1)F)C2=NC(=NC=N2)NC3=CC=CC(=C3)CS(=N)(=O)C
Mol CGP60474 164658-13-3 1+2 Disputed: Jorda et. al.(kinase assay) cmpd 23 2000 0.017 0.05a 0.08 n.d. 0.7 n.d. n.d. n.d. n.d. PKC 23 J Med Chem. 2000 Jan 13;43(1):1-18; Curr Med Chem Anticancer Agents. 2003 Jan;3(1):1-14. CGP60474,164658-13-3,CGP-60474,UNII-16IP6G5MLC,CGP 60474,GNF-Pf-88,MLS000911536,3-[[4-[2-[(3-Chlorophenyl)amino]-4-pyrimidinyl]-2-pyridinyl]amino]-1-propanol,SMR000463552,3-[[4-[2-(3-chloroanilino)pyrimidin-4-yl]-2-pyridyl]amino]propan-1-ol,3-[[4-[2-(3-chloroanilino)pyrimidin-4-yl]pyridin-2-yl]amino]propan-1-ol,1-Propanol, 3-((4-(2-((3-chlorophenyl)amino)-4-pyrimidinyl)-2-pyridinyl)amino)-,1-propanol,CGP 60474,HE064267,HE316648,HY-11009,W-5230,J-511450,3-[[4-[2-(3-chloroanilino)-4-pyrimidinyl]-2-pyridinyl]amino]-1-propanol,1-Propanol, 3-[[4-[2-[(3-chlorophenyl)amino]-4-pyrimidinyl]-2-pyridinyl]amino]- (9CI) C1=CC(=CC(=C1)Cl)NC2=NC=CC(=N2)C3=CC(=NC=C3)NCCCO
Mol NU2058 161058-83-9 1+2 2000 5 n.d. 12 n.d. >100 n.d. n.d. n.d. n.d. topoisomerase II 3 J Med Chem. 2000 Jul 27;43(15):2797-804; Nat Struct Biol. 2002 Oct;9(10):745-9. nu2058,161058-83-9,6-(cyclohexylmethoxy)-9H-purin-2-amine,2-amino-6-cyclohexylmethoxypurine,2-amino-6-[(cyclohexylmethyl)oxy]purine,6-O-CYCLOHEXYLMETHYL GUANINE,NU 2058,NU-2058,CHEMBL269881,MFCD05664734,1e1v,1h1p,O-Cyclohexylmethylguanine,AC1Q4XUD,O6-Cyclohexylmethylguanine,O6-Cyclohexylmethyl guanine,AC1L1IG4,MLS001074898,BDBM5485,SCHEMBL3462331,CTK0E6580,CTK8D6642,AOB6207,EX-A790,MolPort-003-958-993,HMS2233F06,HMS3262L18,HMS3372K06,ZINC3873285,Tox21_500938,DNC003929,NSC707619,AKOS022181492,AKOS028109282,CCG-222242,CS-4977,DB02407,LP00938,NSC-707619,ABA-8861187,KS-000017X6,SMP2_000088,6-(cyclohexylmethoxy)-7H-purin-2-amine,NCGC00165843-01,NCGC00261623-01,AJ-46375,AK-61026,HE315865,HY-19316,NCI60_038221,NU000927,NU2058, >98% (HPLC),SMR000568417,9H-Purin-2-amine, 6-(cyclohexylmethoxy)-,KB-264409,FT-0700226,N0958,ST24045054,J-009777 C1CCC(CC1)COC2=NC(=NC3=C2NC=N3)N
Mol NU6027 220036-08-8 1+2 Disputed: Jorda et. al.(kinase assay) 2000 2.5 n.d. 1.3 n.d. n.d. n.d. n.d. n.d. n.d. ATR 2 J Med Chem. 2000 Jul 27;43(15):2797-804. NU6027,220036-08-8,NU 6027,NU-6027,2,6-diamino-4-cyclohexylmethoxy-5-nitrosopyrimidine,6-(cyclohexylmethoxy)-5-nitrosopyrimidine-2,4-diamine,6-CYCLOHEXYLMETHYLOXY-5-NITROSO-PYRIMIDINE-2,4-DIAMINE,C11H17N5O2,NW1,SMR000568410,pyrimidine deriv.,4-cyclohexylmethoxy-5-nitrosopyrimidine-2,6-diamine,1e1x,AC1L9FZU,MLS001074890,MLS006011251,AC1Q53K2,BDBM5566,CHEMBL303958,SCHEMBL6260430,CTK0J6897,KS-00000XGR,2,4-Pyrimidinediamine, 6-(cyclohexylmethoxy)-5-nitroso-,DTXSID40327960,DGWXOLHKVGDQLN-UHFFFAOYSA-N,MolPort-003-958-997,HMS2234C12,HMS3263D06,HMS3373H16,HMS3653A07,ZINC3814479,Tox21_501212,2601AH,DNC004110,MFCD05664735,NSC707616,s7114,AKOS032945135,DB08312,LP01212,NSC-707616,NCGC00165844-01,NCGC00165844-02,NCGC00261897-01,HE325928,NCI60_038218,SC-95164,NU6027, >=98% (HPLC),RT-014772,2,6-diamino-5-nitroso-4-cyclohexylmethoxypyrimidine,4-Cyclohexylmethoxy-2,6-diamino-5-nitrosopyrimidine,S7114,220036-08-8 C1CCC(CC1)COC2=NC(=NC(=C2N=O)N)N
Mol NU6102 444722-95-6 1+2 Disputed: Jorda et. al.(kinase assay) CDK1/2 inhibitor II, cmpd 3 2002 0.009; 0.25; 0.8 0.39 0.006; 0.005; 0.08 0.02a 1.6; 1.45a; 0.25a n.d. n.d. 4.4 1.07 60 Nat Struct Biol. 2002 Oct;9(10):745-9; J Med Chem. 2017 Mar 9;60(5):1746-1767; Chem Biol. 2012 Aug 24;19(8):1028-40. nu6102,Cdk1/2 Inhibitor II, NU6102,444722-95-6,NU-6102,IN1395,NU 6102,O6-CYCLOHEXYLMETHOXY-2-(4'-SULPHAMOYLANILINO)-sulfamoylanilino)purine,4-{[6-(cyclohexylmethoxy)-7h-purin-2-yl]amino}benzenesulfonamide,4SP,1h1s,4-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]benzenesulfonamide,4-[[6-(cyclohexylmethoxy)-9h-purin-2-yl]amino]benzenesulfonamide,4-{[6-(cyclohexylmethoxy)-9H-purin-2-yl]amino}benzenesulfonamide,4eok,4eor,2c6o,2iw8,2iw9,AC1L1IGA,BDBM5544,CHEMBL319467,SCHEMBL2170816,SCHEMBL12589612,CTK1D2419,CTK7F2153,CTK8G2090,DTXSID70274438,ZINC3873287,DNC006296,HSCI1_000264,AKOS030585466,DB07126,NCGC00346950-01,HE066918,HE255119,KB-145978,K00275,6-Cyclohexylmethoxy-2-(4 -sulfamoylanilino)purine,4-{[6-(cyclohexylmethoxy)-9H-purin-2-yl]amino}benzene-1-sulfonamide,Benzenesulfonamide, 4-[[6-(cyclohexylmethoxy)-1H-purin-2-yl]amino]-,4-?[[6-?(CYCLOHEXYLMETHOXY)-?9H-?PURIN-?2-?YL]AMINO]-?BENZENESULFONAMIDE C1CCC(CC1)COC2=NC(=NC3=C2NC=N3)NC4=CC=C(C=C4)S(=O)(=O)N
Mol BMS265246 582315-72-8 1+2 Confirmed: Jorda et. al.(kinase assay) cmpd 21h 2002 0.006 0.009 n.d. n.d. 0.23 n.d. n.d. n.d. n.d. 3 Bioorg Med Chem Lett. 2003 Jul 21;13(14):2405-8. BMS-265246,582315-72-8,UNII-4GF4A623RF,BMS 265246,BMS265246,(4-butoxy-1H-pyrazolo[3,4-b]pyridin-5-yl)(2,6-difluoro-4-methylphenyl)methanone,(4-butoxy-1H-pyrazolo[3,4-b]pyridin-5-yl)-(2,6-difluoro-4-methylphenyl)methanone,4-BUTOXY-5-(2,6-DIFLUORO-4-METHYLBENZOYL)-1H-PYRAZOLO[3,4-B]PYRIDINE,AC1NS7LB,MLS006011031,4GF4A623RF,BDBM5776,CHEMBL310840,GTPL8051,SCHEMBL15757461,KS-00000TIX,AOB6859,DTXSID00206969,C18H17F2N3O2,MolPort-023-293-552,HMS3655J09,ZINC3924157,2276AH,MFCD22420825,s2014,AKOS026750598,BCP9000425,CS-0922,Methanone, (4-butoxy-1H-pyrazolo(3,4-b)pyridin-5-yl)(2,6-difluoro-4-methylphenyl)-,NCGC00346693-01,AK241904,HY-15275,KB-75618,LP094337,SMR004702826,BMS-265246-01,W-5942,BRD-K62814476-001-01-7,(4-Butoxy-1H-pyrazolo[3,4-b]pyridin-5-yl) (2,6-difluoro-4-methylphenyl)methanone,(4-butoxy-1H-pyrazolo[3,4-b]pyridin-5-yl)(2,6-difluoro-4-methylphenyl)-methanone,4-butoxy-5-[(2,6-difluoro-4-methylphenyl)carbonyl]-1H-pyrazolo[3,4-b]pyridine CCCCOC1=C2C=NNC2=NC=C1C(=O)C3=C(C=C(C=C3F)C)F
Mol CDK1/2 inhibitor III 443798-55-8 1+2 Disputed: Jorda et. al.(kinase assay) cmpd 3n 2005 0.0006 n.d. 0.0005 n.d. n.d. n.d. n.d. n.d. n.d. VEGF-R2, GSK-3beta 300 J Med Chem. 2005 Jun 30;48(13):4208-11. Cdk1/2 Inhibitor III,443798-55-8,UNII-LFR1253W75,LFR1253W75,5-AMINO-3-{[4-(AMINOSULFONYL)PHENYL]AMINO}-N-(2,6-DIFLUOROPHENYL)-1H-1,2,4-TRIAZOLE-1-CARBOTHIOAMIDE,5-Amino-3-((4-(aminosulfonyl)phenyl)amino)-N-(2,6-difluorophenyl)-1H-1,2,4-triazole-1-carbothioamide,5-amino-N-(2,6-difluorophenyl)-3-[(4-sulfamoylphenyl)amino]-1H-1,2,4-triazole-1-carbothioamide,2wu6,AC1NS9OB,CDK 1/2 INHIBITOR,BDBM6878,CHEMBL261720,GTPL5946,SCHEMBL1394721,CTK8E9250,DTXSID60416209,HMS3229C16,ZINC12355112,CCG-206824,DB07664,ACM443798558,HE343613,RT-011956,K00546,K-00546,1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3n,5-amino-N-(2,6-difluorophenyl)-3-(4-sulfamoylanilino)-1,2,4-triazole-1-carbothioamide,1H-1,2,4-Triazole-1-carbothioamide, 5-amino-3-((4-(aminosulfonyl)phenyl)amino)-N-(2,6-difluorophenyl)-,443798-47-8,5-Amino-3-((4(aminosulfonyl)phenyl)amino)-N-(2,6-difluorophenyl)-1H-1,2,4-triazole-1-carbothioamide,5-amino-N-(2,6-difluorophenyl)-3-[(4-sulfamoylphenyl)amino]-1,2,4-triazole-1-carbothioamide C1=CC(=C(C(=C1)F)NC(=S)N2C(=NC(=N2)NC3=CC=C(C=C3)S(=O)(=O)N)N)F
Mol CDK1/5 inhibitor 40254-90-8 1+5 Disputed: Jorda et. al.(kinase assay) NSC693868, cmpd 1 2002 0.6 n.d. n.d. n.d. n.d. 0.4 n.d. n.d. n.d. GSK-3 300 Bioorg Med Chem. 2002 Jul;10(7):2177-84. Cdk1/5 Inhibitor,3-Amino-1H-pyrazolo[3,4-b]quinoxaline,1H-Pyrazolo[3,4-b]quinoxalin-3-amine,40254-90-8,Quinoxaline1,2H-PYRAZOLO[3,4-B]QUINOXALIN-3-AMINE,NSC 693868,56984-56-6,quinoxaline 1,Tocris-1937,K00033,AC1L96GN,BDBM7534,CHEMBL259389,GTPL5947,SCHEMBL1394500,CHEBI:92540,CTK1D5328,CTK5A6106,DWHVZCLBMTZRQM-UHFFFAOYSA-N,MolPort-003-983-789,HMS3229C18,HMS3268M10,ZINC5543794,FCH848632,HSCI1_000152,NSC693868,AKOS006293899,AKOS024456869,AKOS030537560,pyrazolo[3,4-b]quinoxaline deriv. 1,CCG-206825,NSC-693868,2H-pyrazolo[4,3-b]quinoxalin-3-amine,ACM40254908,NCGC00025317-01,AK541812,NCI60_033600,PL003165,KB-172532,KB-180495,B6892,FT-0645277,3-amino-1H-pyrazolo[3,4-b]quinoxaline, AldrichCPR,BRD-K31268420-001-01-1,BRD-K87932577-001-01-6 C1=CC2=NC3=C(NN=C3N=C2C=C1)N
Mol Aloisine 496864-15-4 1+5 RP106, cmpd 38 2003 0.7 n.d. n.d. n.d. n.d. 1.5 n.d. n.d. n.d. GSK-3 3 J Med Chem. 2003 Jan 16;46(2):222-36. Aloisine, RP106,Aloisine,496864-15-4,RP106,IN1538,7-butyl-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine,7-n-Butyl-6-(4-methoxyphenyl)[5H]pyrrolo[2,3-b]pyrazine,Aloisine RP106,AC1MUHOV,SCHEMBL79714,6-phenyl[5H]pyrrolo[2,3-b]pyrazine (aloisine) 38,BDBM7364,CHEMBL306498,GTPL5923,Aloisine, RP106 and RP106,CHEBI:92890,CTK8E7656,AOB5673,DTXSID90394566,HMS3229A16,ZINC2540738,HSCI1_000247,RP-106,AKOS030240698,CCG-206815,HE005470,LP089649,KB-275267,RT-011247,FT-0661525,BRD-K51276371-001-01-8,RP106, 7-n-Butyl-6-(4-methoxyphenyl)-[5H]pyrrolo[2,3-b]pyrazine CCCCC1=C(NC2=NC=CN=C12)C3=CC=C(C=C3)OC
Mol (R)-DRF053 1186647-87-9 1+5 Disputed: Jorda et. al.(kinase assay) CDK/CKI Inhibitor, cmpd 13a 2008 0.22 n.d. n.d. n.d. n.d. 0.08 n.d. n.d. n.d. CK1 4 J Med Chem. 2008 Sep 11;51(17):5229-42. CC(C)N1C2=NC(N[C@@H](CO)CC)=NC(NC3=CC(C4=NC=CC=C4)=CC=C3)=C2N=C1.Cl.Cl
Mol PNU112455A 21886-12-4 2+5 Disputed: Jorda et. al.(kinase assay) CDK2/5 inhibitor 2001 n.d. 2 n.d. n.d. n.d. 2 n.d. n.d. n.d. 60 J Biol Chem. 2001 Dec 21;276(51):48292-9. cdk2/5 inhibitor,21886-12-4,PNU 112455A hydrochloride,PNU 112455A,IN1382,N4-(6-Aminopyrimidin-4-yl)-sulfanilamide, HCI,4-[(6-aminopyrimidin-4-yl)amino]benzenesulfonamide hydrochloride,4-[(6-aminopyrimidin-4-yl)amino]benzene-1-sulfonamide hydrochloride,4-((6-Aminopyrimidin-4-yl)amino)benzenesulfonamide hydrochloride,AC1Q3D0Q,CTK8F8508,AOB5692,PNU112455A,NSC135258,AKOS024323356,MCULE-3542910777,NSC-135258,AK500118,BP-13200,PNU112455A, >=98% (HPLC),J-014331 C1=CC(=CC=C1NC2=NC=NC(=C2)N)S(=O)(=O)N.Cl
Mol BIO 667463-62-9 2+5 Confirmed: Jorda et. al.(kinase assay) 6-BIO, MLS2052, GSK-3 IX, cmpd 7 2003 0.32 n.d. 0.3 n.d. 10 0.083 n.d. n.d. n.d. GSK-3 300 Chem Biol. 2003 Dec;10(12):1255-66. GSK-3 Inhibitor GSK-3 Inhibitor-oxime,(3E)-6'-BROMO-2,3'-BIINDOLE-2',3(1H,1'H)-DIONE 3-OXIME,AC1NRAET,1uv5,6-bromo-indirubin-3'oxime,6-bromoindirubin-3''-oxime,SCHEMBL470802,CHEMBL355496,GTPL5974,SCHEMBL8246737,CHEMBL2178734,SCHEMBL14088703,AOB4191,MolPort-009-019-520,HMS3229G18,HMS3262K08,HMS3648C22,BIO, >=98% (HPLC),2268AH,BDBM50012188,BDBM50191406,DNC007554,GL6265,HSCI1_000232,NSC737347,NSC745931,s7198,ZINC18128386,ZINC18128389,AKOS024457468,CCG-101292,CCG-208082,CS-3360,DB03444,LP00773,NSC-737347,NSC-745931,NCGC00094112-01,NCGC00094112-02,NCGC00094112-03,NCGC00094112-04,BC600306,HY-10580,KB-68783,B4006,(2Z,3E)-6'-bromo-2,3'-biindole-2',3(1H,1'H)-dione 3-oxime,(3Z)-6-bromo-3-[3-(hydroxyamino)indol-2-ylidene]-1H-indol-2-one,(3Z)-6-Bromo-3-[(3E)-3-hydroxyimino-1H-indol-2-ylidene]-1H-indol-2-one,(3Z)-6-bromo-3-[(3E)-3-hydroxyiminoindolin-2-ylidene]indolin-2-one,(Z)-6''-Bromo-1H,1''H-[2,3'']biindolylidene-3,2''-dione 3-oxime,6-bromo-3-[(3E)-3-(hydroxyimino)-1H-indol-2-ylidene]-1H-indol-2-one,6-bromo-3-[3-(hydroxyamino)-2H-indol-2-ylidene]-2,3-dihydro-1H-indol-2-one,6-Bromo-3-[3-(hydroxyimino)-1,3-dihydro-2H-indol-2-ylidene]-1,3-dihydro-2H-indol-2-one,(3Z)-6-bromo-3-[(3E)-3-(hydroxyimino)-1,3-dihydro-2H-indol-2-ylidene]-1,3-dihydro-2H-indol-2-one,2H-Indol-2-one,6-bromo-3-[(3E)-1,3-dihydro-3-(hydroxyimino)-2H-indol-2-ylidene]-1,3-dihydro-,(3Z)- C1=CC2=C(/C(=C/3\C4=C(C=C(C=C4)Br)NC3=O)/N=C2C=C1)NO
Mol BML259 267654-00-2 2+5 Disputed: Jorda et. al.(kinase assay) CAY10554, cmpd 6 2004 n.d. 0.098 n.d. n.d. n.d. 0.064 n.d. n.d. n.d. 2 Bioorg Med Chem Lett. 2004 Nov 15;14(22):5521-5. BML-259,267654-00-2,CHEMBL426972,BiomolKI_000077,BiomolKI2_000081,SCHEMBL1535301,CHEBI:95031,CTK0I5940,DTXSID20587883,BDBM50155210,ZINC13827492,AKOS030583154,CCG-100681,NCGC00163393-01,HE330283,KB-299726,RT-011571,N-(5-Isopropyl-2-thiazolyl)benzeneacetamide,N-(5-Isopropyl-thiazol-2-yl)-2-phenyl-acetamide,J-016538,BRD-K71799778-001-02-2,N-(5-Isopropyl-1,3-thiazol-2-yl)-2-phenylacetamide,Benzeneacetamide, N-[5-(1-methylethyl)-2-thiazolyl]-,2-Phenyl-N-[5-(propan-2-yl)-1,3-thiazol-2-yl]acetamide CC(C)C1=CN=C(S1)NC(=O)CC2=CC=CC=C2
Mol CDK2/9 inhibitor 507487-89-0 2+9 Confirmed: Jorda et. al.(kinase assay) cmpd 32 2004 0.08 0.002 n.d. n.d. 0.053 n.d. n.d. 0.07 0.004 16 J Med Chem. 2004 Mar 25;47(7):1662-75. Cdk2/9 Inhibitor,507487-89-0,[4-(2-AMINO-4-METHYL-THIAZOL-5-YL)-PYRIMIDIN-2-YL]-(3-NITRO-PHENYL)-AMINE,CHEMBL298445,IN1368,(4-(2-Amino-4-methylthiazol-5-yl)pyrimidin-2-yl)-(3-nitrophenyl)amine,CK7,1pxo,2wev,CDK Inhibitor, 1,2c5p,AC1L9LFS,BDBM8061,SCHEMBL1368256,CTK1G6102,DTXSID30332265,DYTKVFHLKPDNRW-UHFFFAOYSA-N,HMS3229D17,BDBM50229973,ZINC03942776,DB02833,HE346611,RT-011958,2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 32,4-methyl-5-(2-(3-nitrophenylamino)pyrimidin-4-yl)thiazol-2-amine,[4-(2-Amino-4-methylthiazol-5-yl)pyrimidin-2-yl](3-nitrophenyl)amine,2-[[3-Nitrophenyl]amino]-4-(2-amino-4-methylthiazole-5-yl)pyrimidine,2-Pyrimidinamine, 4-(2-amino-4-methyl-5-thiazolyl)-N-(3-nitrophenyl)-,4-(2-amino-4-methyl-1,3-thiazol-5-yl)-N-(3-nitrophenyl)pyrimidin-2-amine,4-(2-amino-4-methylthiazol-5-yl)-N-(3-nitrophenyl) pyrimidin-2-amine,4-methyl-5-[2-(3-nitroanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine,4-methyl-5-{2-[(3-nitrophenyl)amino]pyrimidin-4-yl}-1,3-thiazol-2-amine,4-(2-amino-4-methyl-1,3-thiazol-5-yl)-N-(3-nitrophenyl)pyrimidin-2-amine, 4 CC1=C(SC(=N1)N)C2=NC(=NC=C2)NC3=CC(=CC=C3)[N+](=O)[O-]
Mol Senexin A 1366002-50-7 8+19 2012 n.d. n.d. n.d. n.d. n.d. n.d. n.d. n.d. n.d. 442 Proc Natl Acad Sci U S A. 2012 Aug 21;109(34):13799-804. Senexin A,4-(Phenethylamino)quinazoline-6-carbonitrile,1366002-50-7,C17H14N4,SCHEMBL16172718,3995AD,s8520,ZINC87608303,AKOS028113542,CS-6893,HE240240,HY-15681,KB-145931 C1=CC=C(C=C1)CCNC2=NC=NC3=C2C=C(C=C3)C#N
Mol Senexin B 1449228-40-3 8+19 cmpd SNX-1-165 2016 n.d. n.d. n.d. n.d. n.d. n.d. n.d. n.d. n.d. 2 US9321737B2. CN1CCN(CC1)C(=O)C2=CC3=C(C=C2)C=C(C=C3)CCNC4=NC=NC5=C4C=C(C=C5)C#N
Mol MSC2530818 1883423-59-3 8+19 cmpd 25 2016 n.d. n.d. n.d. n.d. n.d. n.d. n.d. n.d. n.d. 264 J Med Chem. 2016 Oct 27;59(20):9337-9349. MSC2530818,SCHEMBL17514257,s8387,AKOS032946259,CS-6912,HY-101611,[(2s)-2-(4-Chlorophenyl)pyrrolidin-1-Yl](3-Methyl-1h-Pyrazolo[3,4-B]pyridin-5-Yl)methanone,1883423-59-3,6A7 CC1=C2C=C(C=NC2=NN1)C(=O)N3CCC[C@H]3C4=CC=C(C=C4)Cl
Mol CCT251921 1607837-31-9 8+19 cmpd 109 2016 n.d. n.d. n.d. n.d. n.d. n.d. n.d. n.d. n.d. 279 J Med Chem. 2016 Feb 11;59(3):1078-101. CHEMBL3798382,CCT-251921,1607837-31-9,8-(2-amino-3-chloro-5-(1-methyl-1H-indazol-5-yl)pyridin-4-yl)-2,8-diazaspiro[4.5]decan-1-one,SCHEMBL15660221,BDBM50163795,CCT251921,AKOS030621341,CS-5521,HY-19984,5Y8,8-[2-Azanyl-3-Chloranyl-5-(1-Methylindazol-5-Yl)pyridin-4-Yl]-2,8-Diazaspiro[4.5]decan-1-One CN1C2=C(C=C(C=C2)C3=CN=C(C(=C3N4CCC5(CCNC5=O)CC4)Cl)N)C=N1
Mol Butyrolactone I 87414-49-1 pan 1994 0.68 n.d. n.d. n.d. n.d. n.d. n.d. n.d. n.d. 1 Oncogene. 1994 Sep;9(9):2549-57. O/C3=C(\c1ccc(O)cc1)C(Cc2ccc(O)c(C\C=C(/C)C)c2)(OC3=O)C(=O)OC
Mol Flavopiridol 146426-40-6 pan Confirmed: Jorda et. al.(kinase assay) Alvocidib, L868275 1994 0.03-0.4 0.1 0.1 0.41a 0.02-0.04a 0.11a 0.06a 0.11-0.3 0.006 442 Biochem Biophys Res Commun. 1994 Jun 15;201(2):589-95; Med Res Rev. 2010 Jul;30(4):646-66; Nat Biotechnol. 2008 Jan;26(1):127-32; J Proteome Res. 2015 Mar 6;14(3):1574-86. Flavopiridol,Alvocidib,146426-40-6,Flavopiridol hydrochloride,FLAVO,L 868275,L-868275,UNII-45AD6X575G,Alvocidib [INN],CHEMBL428690,S1230_Selleck,AC1NRALK,L86-8275,HMR 1275,HMR-1275,1c8k,1e1y,C21H20ClNO5,Flavopiridol (Alvocidib),HMR 1274,L 86-8275,(-)cis-5,7-Dihydroxy-2-(2-chlorophenyl)-8-(4-(3-hydroxy-1-methyl)piperidinyl)-4H-1-benzopyran-4-one,131740-09-5,45AD6X575G,2-(2-chlorophenyl)-5,7-dihydroxy-8-((3S,4R)-3-hydroxy-1-methylpiperidin-4-yl)-4H-chromen-4-one,DB03496,LS-173272,MDL-107826A,CID5287969,2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydroxy-1-methyl-4-piperidyl]chromen-4-one,HMR-1275, Alvocidib, L868275, Flavopiridol,2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY-8-(3-HYDROXY-1-METHYL-PIPERIDIN-4-YL)-4H-BENZOPYRAN-4-ONE,2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydroxy-1-methylpiperidin-4-yl]-4H-chromen-4-one,4H-1-Benzopyran-4-one, 2-(2-chlorophenyl)-5,7-dihydroxy-8-((3R,4S)-3-hydroxy-1-methyl-4-piperidinyl)-, rel-(-)-,4H-1-Benzopyran-4-one, 2-(2-chlorophenyl)-5,7-dihydroxy-8-(3-hydroxy-1-methyl-4-piperidinyl)-, cis-(-)-,Flavoperidol,HMR-1275, L868275, 146426-40-6,2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydroxy-1-methylpiperidin-4-yl]chromen-4-one,358739-39-6,4H-1-Benzopyran-4-one, 2-(2-chlorophenyl)-2,3-dihydro-5,7-dihydroxy-8-[(3S,4R)-3-hydroxy-1-methyl-4-piperidinyl]-,NSC649890,Alvocidib [USAN:INN],alvocidibum,CCRIS 9399,Alvocidib freebase,L-86-8275,Tube001,L868275,Alvocidib (USAN/INN),SCHEMBL3652,BDBM5655,GTPL5680,NSC 649890 HCl,CHEBI:47344,MolPort-006-169-102,Flavopiridol,Alvocidib, HMR-1275,HMR-1274,KS-00000XH5,AN-500,DCL000116,MFCD20501884,s1230,ZINC21288966,AKOS022182942,AM84422,AJ-78086,AK-76773,AN-16495,BC220865,Flavopirido-Supplied by SelleckAlvocidib,5,7-Dihydroxy-2-(2-chlorophenyl)-8-(1-methyl-3beta-hydroxypiperidin-4beta-yl)-4H-1-benzopyran-4-one,Alvocidib|||L-868275|||HMR-1275|||2-(2-Chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydroxy-1-methylpiperidin-4-yl]chromen-4-one CN1CC[C@@H]([C@@H](C1)O)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=CC=C4Cl)O)O
Mol Olomoucine 101622-51-9 pan 1994 7; >100 7; 0.94 7; 8.8 n.d. >1000; 45 n.d. n.d. 0.6 2.03 60 Eur J Biochem. 1994 Sep 1;224(2):771-86; Clin Cancer Res. 2005 Jul 1;11(13):4875-87. Olomoucine,CHEMBL280074,GTVPOLSIJWJJNY-UHFFFAOYSA-N,IN1179,MFCD00189360,2-(2-Hydroxyethylamino)-6-benzylamino-9-methylpurine,2-{[6-(benzylamino)-9-methyl-9h-purin-2-yl]amino}ethanol,ST50298830,Ethanol,2-[[9-methyl-6-[(phenylmethyl)amino]-9H-purin-2-yl]amino]-,6-Benzylamino-2-(2-hydroxyethylamino)-9-methylpurine,2-[[6-(benzylamino)-9-methylpurin-2-yl]amino]ethanol,6-(Benzylamino)-2-(2-hydroxyethylamino)-9-methylpurine,C15H18N6O,2-{[6-(benzylamino)-9-methyl-9H-purin-2-yl]amino}ethan-1-ol,OLO,6-benzylamino-2-[2-hydroxyethylamino]-9-methylpurine,UNII-6A839B2HYS,Olomucine,4erk,purine deriv. 5,NSC 666096,NSC-666096,Kinome_2870,Tocris-1284,1w0x,ACMC-20cp0o,AC1L1IID,AC1Q4XZU,BiomolKI_000046,Lopac-O-0886,BiomolKI2_000052,UPCMLD-DP136,CBiol_002050,Lopac0_000883,BSPBio_000990,KBioGR_000330,KBioSS_000330,SCHEMBL135056,6A839B2HYS,BDBM5718,BMK1-E10,2-(2-Hydroxyethylamino)-6-(benzylamino)-9-methylpurine,Olomoucine, >=98% (HPLC),UPCMLD-DP136:001,UPCMLD-DP136:002,BCBcMAP01_000205,CTK4A0020,KBio2_000330,KBio2_002898,KBio2_005466,KBio3_000659,KBio3_000660,BIO3107,DTXSID90144068,MolPort-003-849-700,ZX-AFC001655,Bio1_000336,Bio1_000825,Bio1_001314,Bio2_000335,Bio2_000815,HMS1362B11,HMS1792B11,HMS1990B11,HMS3262B08,HMS3267L09,HMS3403B11,HMS3650F19,ZINC1641925,Tox21_500883,1966AH,DNC000650,DNC001057,IN1182,NSC666096,AKOS005145988,CCG-100650,DB02116,LP00883,TRA0035611,IDI1_002090,SMP1_000281,2,6,9-Trisubstituted purine deriv. 26,NCGC00015763-01,NCGC00015763-02,NCGC00015763-03,NCGC00015763-04,NCGC00015763-05,NCGC00015763-06,NCGC00015763-07,NCGC00015763-08,NCGC00015763-09,NCGC00025096-01,NCGC00025096-02,NCGC00025096-03,NCGC00025096-04,NCGC00025096-05,NCGC00025096-06,NCGC00025096-07,NCGC00261568-01,CJ-26517,HE186958,NCI60_022916,NU000942,KB-162429,RT-014854,EU-0100883,FT-0642456,O 0886,C-28477,2-(Hydroxyethylamino)-6-benzylamino-9-methylpurine,J-000453,6-Benylamino-2-(2-hydroxyethylamino)-9-methylpurine,BRD-K82731415-001-03-9,BRD-K82731415-001-04-7,2-(2-Hydroxyethylamino)-6-benzylamino-9-isopropylpurine,2-[[6-(benzylamino)-9-methyl-purin-2-yl]amino]ethanol,2-({9-methyl-6-[benzylamino]purin-2-yl}amino)ethan-1-ol,6-(benzylamino)-2-[(2-hydroxyethyl)amino]-9-methylpurine,2-[[9-Methyl-6-[(phenylmethyl)amino]-9H-purin-2-yl]amino]-ethanol,2-[[9-Methyl-6-[(phenylmethyl)amino]-9H-purin-2-yl]amino]ethanol,Ethanol, 2-[[9-methyl-6-[(phenylmethyl)amino]-9H-purin-2-yl]amino]-,2-?[[9-?METHYL-?6-?[(PHENYLMETHYL)AMINO]-?9H-?PURIN-?2-?YL]AMINO]-?ETHANOL CN1C=NC2=C1N=C(N=C2NCC3=CC=CC=C3)NCCO
Mol Roscovitine 186692-46-6 pan Confirmed: Jorda et. al.(kinase assay) Seliciclib, CYC202 1997 0.65; 0.33 0.7; 0.17 0.7; 0.21 1.5; >10a >100 0.28 51 0.8 0.23 317 Eur J Biochem. 1997 Jan 15;243(1-2):527-36; Oncogene. 2008 Oct 2;27(44):5797-807; Nat Biotechnol. 2008 Jan;26(1):127-32; ProQinase. roscovitine,Seliciclib,186692-46-6,R-Roscovitine,(R)-roscovitine,CYC202,CYC-202,CYC 202,Rosco,2-(R)-(1-Ethyl-2-hydroxyethylamino)-6-benzylamino-9-isopropylpurine,3ddq,UNII-0ES1C2KQ94,CHEMBL14762,NSC Roscovitine,BMK1-E12,Ambotz186692-46-6,BCBcMAP01_000013,CHEBI:45307,KBio2_000418,KBio2_002986,KBio2_005554,KBio3_000795,KBio3_000796,MolPort-003-959-463,Bio1_000302,Bio1_000791,Bio1_001280,Bio2_000379,Bio2_000859,HMS1362F19,HMS1792F19,HMS1990F19,HMS3229N13,(2R)-2-[[6-(benzylamino)-9-propan-2-ylpurin-2-yl]amino]butan-1-ol,(2r)-2-{[6-(benzylamino)-9-isopropyl-9h-purin-2-yl]amino}-1-butanol,(R)-2-((6-(Benzylamino)-9-isopropyl-9H-purin-2-yl)amino)butan-1-ol,(2R)-2-{[6-(benzylamino)-9-(propan-2-yl)-9H-purin-2-yl]amino}butan-1-ol,HSCI1_000092,MFCD02266401,AKOS005146319,AC-2416,IDI1_002134,SMP1_000266,NCGC00094374-01,NCGC00094374-02,NCGC00094374-03,NCGC00094374-04,NCI60_036420,LS-182554,2-(1-ethyl-2-hydroxyethylamino)-6-benzylamino-9-isopropylpurine,CYC202, Seliciclib, 186692-46-6,(2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]amino]butan-1-ol,6-(Benzylamino)-2(R)-[[1-(hydroxymethyl)propyl]amino]-9-isopropylpurine,M02443,CYC202, Seliciclib, R-roscovitine, Roscovitine,RRC,BRD-K07691486-001-03-1,BRD-K07691486-001-05-6,C19H26N6O,(2R)-2-[[9-(1-Methylethyl)-6-[(phenylmethyl)amino]-9H-purin-2-yl]amino]-1-butanol,1-Butanol, 2-((9-(1-methylethyl)-6-((phenylmethyl)amino)-9H-purin-2- yl)amino)-, (2R)-,1-Butanol, 2-((9-(1-methylethyl)-6-((phenylmethyl)amino)-9H-purin-2- yl)amino)-, (R)-,1-Butanol, 2-((9-(1-methylethyl)-6-((phenylmethyl)amino)-9H-purin-2-yl)amino)-, (2R)-,1-Butanol, 2-((9-(1-methylethyl)-6-((phenylmethyl)amino)-9H-purin-2-yl)amino)-, (R)-,2-(R)-[[9-(1-Methylethyl)-6-[(phenylmethyl)amino]-9H-purin-2-yl]amino]-1-butanol,2-[[9-(1-Methylethyl)-6-[(phenylmethyl)amino]- 9H-purin-2-yl]amino]-(R)-1-butanol,1unl,(2R)-2-((9-(1-methylethyl)-6-((phenylmethyl)amino)-9H-purin-2-yl)amino)-1-butanol,1-Butanol, 2-[[9-(1-methylethyl)-6-[(phenylmethyl)amino]-9H-purin-2-yl]amino]-, (2R)-,KST-1A2714,KST-1A2715,AR-1A2673,AR-1A2674,CID160355,Roscovitine/CYC202,AL-39256,p34 cdc2,1-Butanol, (2R)-,ROSCOVITINE(Seliciclib),r-roscovitine 98% (hplc),SCHEMBL94728,MLS006011028,R7772_SIGMA,0ES1C2KQ94,BDBM7533,cid_160355,GTPL6035,Roscovitine, >=98% (TLC),(R)-2-(1-Ethyl-2-hydroxyethylamino)-6-benzylamino-9-isopropylpurine,CTK4D9313,AOB2095,DTXSID20171928,EX-A052,BTIHMVBBUGXLCJ-OAHLLOKOSA-N,BCPP000087,CC205,HMS3403F19,Roscovitine (Seliciclib,CYC202),Roscovitine (Seliciclib, CYC202),ZINC1649340,ABP000228,BS0304,DCL000227,DNC000015,DNC001013,DNC001232,GP3424,s1153,ZINC01649340,AN-1311,CCG-100652,RL02372,2,6,9-Trisubstituted purine deriv. 28,NCGC00094374-05,AJ-28787,AK117737,BC683378,HE064182,HE116182,HY-30237,KB-60358,Roscovitine-Supplied by Selleck Chemicals,SC-85946,SMR004702823,AB1010069,RT-015440,FT-0674460,X7381,S-7720,692R466,J-011999,J-524224,3B1-002516,UNII-AIR55KO85E component BTIHMVBBUGXLCJ-OAHLLOKOSA-N,6-benzylamino-2-(r)-[(1-ethyl)-2-hydroxyethylamino]-9-isopropylpurine,(2R)-2-[[6-[(phenylmethyl)amino]-9-propan-2-yl-2-purinyl]amino]-1-butanol,(2R)-2-[[6-[(phenylmethyl)amino]-9-propan-2-yl-purin-2-yl]amino]butan-1-ol,(2R)-2-{[6-(benzylamino)-9-(1-methylethyl)-9H-purin-2-yl]amino}butan-1-ol,(R)-2-((9-(1-methylethyl)-6-((phenylmethyl)amino)-9H-purin-2-yl)amino)-1-butanol,1-Butanol,2-[[9-(1-methylethyl)-6-[(phenylmethyl)amino]-9H-purin-2-yl]amino]-, 6-(Benzylamino) -2(R)-[[1-(hydroxymethyl)propyl]amino]-9-isopropylpurine,2-?[[9-?(1-?METHYLETHYL)-?6-?[(PHENYLMETHYL)AMINO]-?9H-?PURIN-?2-?YL]AMINO]-?1-?BUTANOL,Seliciclib|||CYC-202|||(2R)-2-[[6-(Benzylamino)-9-propan-2-ylpurin-2-yl]amino]butan-1-ol CC[C@H](CO)NC1=NC2=C(C(=N1)NCC3=CC=CC=C3)N=CN2C(C)C
Mol Bohemine 189232-42-6 pan cmpd 101 1997 1; 1.1; >100 0.6; 4.6 83 n.d. >100 n.d. n.d. >20 2.7 300 Eur J Biochem. 1997 Jan 15;243(1-2):518-26; Leukemia. 2002 Mar;16(3):299-305; Clin Cancer Res. 2005 Jul 1;11(13):4875-87. bohemine,189232-42-6,3-{[6-(benzylamino)-9-(propan-2-yl)-9h-purin-2-yl]amino}propan-1-ol,CHEMBL83980,CHEBI:86007,IN1403,3-((6-(Benzylamino)-9-isopropyl-9H-purin-2-yl)amino)propan-1-ol,[6-Benzylamino-2-(3-hydroxypropylamino)-9-isopropylpurine,2-[(3-hydroxypropyl)amino]-6-benzylamino-9-isopropylpurine,3-[[6-(benzylamino)-9-propan-2-ylpurin-2-yl]amino]propan-1-ol,3-{[6-(benzylamino)-9-isopropyl-9H-purin-2-yl]amino}propan-1-ol,purine deriv. 1,AC1L1DN2,GTPL5938,SCHEMBL1443403,BDBM10633,CTK8A4395,AOB6160,DTXSID00274365,EX-A931,OPQGFIAVPSXOBO-UHFFFAOYSA-N,HMS3229C10,ZINC2002752,DNC003611,HSCI1_000064,MFCD04974145,Bohemine, >=95% (HPLC), powder,AKOS026750317,CCG-206821,NCGC00165739-01,AK341037,HE063226,OR236205,RT-011804,FT-0700250,J-012209,BRD-K38622899-001-01-4,2-(3-Hydroxypropylamino)-6-benzylamino-9-isopropylpurine,3-[[6-(benzylamino)-9-isopropyl-purin-2-yl]amino]propan-1-ol,6-(benzylamino)-2-[(3-hydroxypropyl)amino]-9-isopropylpurine,3-{[6-(Benzylamino)-9-Isopropyl-9H-Purin-2-Yl]Amino}-1-Propanol,3-{[6-(BENZYLAMINO)-9-ISOPROPYLPURIN-2-YL]AMINO}PROPAN-1-OL,1-Propanol, 3-[[9-(1-methylethyl)-6-[(phenylmethyl)amino]-9H-purin-2-yl]amino]- CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC=CC=C3)NCCCO
Mol Purvalanol A 212844-53-6 pan NG60 1998 0.004; 0.15 0.035; 0.21 0.07; 0.18 0.01 0.85; 1.63a 0.24 n.d. 0.1 n.d. 300 Science. 1998 Jul 24;281(5376):533-8; Chem Biol. 2012 Aug 24;19(8):1028-40; Mol Cancer Ther. 2005 Sep;4(9):1328-37. purvalanol A,212844-53-6,Purv,PURVALANOLA,6-((3-chloro)anilino)-2-(isopropyl-2-hydroxyethylamino)-9-isopropylpurine,CHEMBL23327,CHEBI:47600,NG-60,2-(1R-Isopropyl-2-hydroxyethylamino)-6-(3-chloroanilino)-9-isopropylpurine,MFCD02179211,(2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)-9H-purin-2-yl}amino)-3-methylbutan-1-ol,(2R)-2-[[6-(3-chloroanilino)-9-propan-2-ylpurin-2-yl]amino]-3-methylbutan-1-ol,C19H25ClN6O,(R)-2-((6-((3-Chlorophenyl)amino)-9-isopropyl-9H-purin-2-yl)amino)-3-methylbutan-1-ol,2-({6-[(3-CHLOROPHENYL)AMINO]-9-ISOPROPYL-9H-PURIN-2-YL}AMINO)-3-METHYLBUTAN-1-OL,P01,Tocris-1580,Purvalanol A(NG 60),Lopac-P-4484,AC1L9UH3,MLS006010846,BIFK0054,SCHEMBL1217069,BCBcMAP01_000180,BDBM27216,AOB6163,DTXSID30175553,EX-A648,2,6,9-Trisubstitute purine, 1,MolPort-003-959-265,HMS3268E19,NG 60,ZINC582575,3983AH,DNC009916,HY-18299A,s7793,AKOS022185058,CCG-101285,CS-4001,DB04751,SMP1_000251,NCGC00015814-01,NCGC00025219-01,NCGC00025219-02,NCGC00025219-04,Purvalanol A, >=98% (HPLC), powder,AJ-23607,AK117693,HE116075,NU000915,SMR004701771,ZB014483,B4990,FT-0700264,J-013971,BRD-K50836978-001-01-7,3B1-003009,S7793,212844-53-6,(2R)-2-[[6-(3-chloroanilino)-9-isopropyl-purin-2-yl]amino]-3-methyl-butan-1-ol,(S)-2-(6-(3-chlorophenylamino)-9-isopropyl-9H-purin-2-ylamino)-3-methylbutan-1-ol,(2R)-?2-?[[6-?[(3-?CHLOROPHENYL)AMINO]-?9-?(1-?METHYLETHYL)-?9H-?PURIN-?2-?YL]AMINO]-?3-?METHYL-?1-?BUTANOL,(2R)-2-[[6-[(3-Chlorophenyl)amino]-9-(1-methylethyl)-9H-purin-2-yl]amino]-3-methyl-1-butanol CC(C)[C@H](CO)NC1=NC2=C(C(=N1)NC3=CC(=CC=C3)Cl)N=CN2C(C)C
Mol Purvalanol B 212844-54-7 pan NG95 1998 0.006 0.009 0.006 n.d. >10 n.d. n.d. n.d. n.d. 140 Science. 1998 Jul 24;281(5376):533-8. Purvalanol B,212844-54-7,Purvalanol B(NG-95),Purvalanol B(NG 95),(2R)-2-[[6-[(3-CHLORO-4-CARBOXYPHENYL)AMINO]-9-(1-METHYLETHYL)-9H-PURIN-2-YL]AMINO]-3-METHYL-1-BUTANOL,PURVALANOL,CHEMBL23254,CHEBI:49840,NG 95,NG-95,MFCD04118312,(R)-2-chloro-4-((2-((1-hydroxy-3-methylbutan-2-yl)amino)-9-isopropyl-9H-purin-6-yl)amino)benzoic acid,2-chloro-4-[[2-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-9-propan-2-ylpurin-6-yl]amino]benzoic acid,C20H25ClN6O3,J-502183,(R)-2-chloro-4-(2-(1-hydroxy-3-methylbutan-2-ylamino)-9-isopropyl-9H-purin-6-ylamino)benzoic acid,PVB,PurvalanolB,2-chloro-4-[(2-{[(1R)-1-(hydroxymethyl)-2-methylpropyl]amino}-9-isopropyl-9H-purin-6-yl)amino]benzoic acid,2-chloro-4-[(2-{[(2R)-1-hydroxy-3-methylbutan-2-yl]amino}-9-(propan-2-yl)-9H-purin-6-yl)amino]benzoic acid,2-chloro-4-{[2-{[(1R)-1-(hydroxymethyl)-2-methylpropyl]amino}-9-isopropyl-9H-purin-6-yl]amino}benzoic acid,2-chloro-4-{[2-{[(2R)-1-hydroxy-3-methylbutan-2-yl]amino}-9-(propan-2-yl)-9H-purin-6-yl]amino}benzoic acid,Tocris-1581,1v0p,AC1L9ML5,SCHEMBL27951,BDBM7478,GTPL7806,NG95,KS-00001DAZ,EX-A354,SYN1070,MolPort-023-276-147,HMS3268E21,ZINC582590,3984AH,ABP000276,DNC001166,DPR000066,RS0025,AKOS024456681,ACN-029590,AM84743,CS-1714,DB02733,NCGC00025220-01,NCGC00025220-02,NCGC00025220-03,Purvalanol B, >=97% (HPLC), solid,HY-18299,AB0213798,KB-310853,FT-0773517,844C547,L-751250,BRD-K41564320-001-01-2,Benzoic acid, 2-chloro-4-[[2-[[(1R)-1-(hydroxymethyl)-2-methylpropyl]amino]-9-(1-methylethyl)-9H-purin-6-yl]amino]- CC(C)[C@H](CO)NC1=NC2=C(C(=N1)NC3=CC(=C(C=C3)C(=O)O)Cl)N=CN2C(C)C
Mol Aminopurvalanol 220792-57-4 pan NG97, cmpd 97 1999 0.033 0.028 0.033 n.d. n.d. n.d. n.d. n.d. n.d. 300 Chem Biol. 1999 Jun;6(6):361-75. aminopurvalanol A,Aminopurvalanol,NG-97,CHEBI:38937,(2R)-2-({6-[(3-amino-5-chlorophenyl)amino]-9-(propan-2-yl)-9H-purin-2-yl}amino)-3-methylbutan-1-ol,220792-57-4,(2R)-2-((6-((3-Amino-5-chlorophenyl)amino)-9-(1-methylethyl)-9H-purin-2-yl)amino)-3-methyl-1-butanol,(2R)-2-[[6-[(3-Amino-5-chlorophenyl)amino]-9-(1-methylethyl)-9H-purin-2-yl]amino]-3-methyl-1-butanol,AMINOPURVALANOLA,Tocris-2072,AC1O7H2G,CHEMBL286721,GTPL5927,SCHEMBL2170683,MolPort-023-276-316,HMS3229A18,HMS3268H19,NG 97,ZINC582597,HSCI1_000391,AKOS024456927,CCG-206816,NCGC00025348-01,NCGC00025348-02,ACM220792574,B6935,BRD-K07762753-001-01-0,(2R)-2-[[6-(3-amino-5-chloroanilino)-9-propan-2-ylpurin-2-yl]amino]-3-methylbutan-1-ol CC(C)[C@H](CO)NC1=NC2=C(C(=N1)NC3=CC(=CC(=C3)N)Cl)N=CN2C(C)C
Mol Kenpaullone 142273-20-9 pan NSC664704 1999 0.4 7.5 0.68 n.d. >100 n.d. n.d. n.d. n.d. GSK-3beta 25 Cancer Res. 1999 Jun 1;59(11):2566-9. kenpaullone,142273-20-9,9-Bromopaullone,NSC 664704,9-Bromo-7,12-dihydroindolo[3,2-d][1]benzazepin-6(5H)-one,NSC-664704,NSC664704,MLS002702152,CHEMBL296586,9-Bromo-7,12-dihydroindolo(3,2-d)(1)benzazepin-6(5H)-one,Indolo[3,2-d][1]benzazepin-6(5H)-one,9-bromo-7,12-dihydro-,MFCD02683595,9-Bromo-7,12-dihydro-indolo[3,2-d][1]benzazepin-6(5H)-one,9-bromo-7,12-dihydrobenzo[2,3]azepino[4,5-b]indol-6(5H)-one,9-bromo-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one,9-Bromo-7,12-dihydro-indolo-[3,2-d]-[1]benzazepin-6(5H)-one,Indolo[3,2-d][1]benzazepin-6(5H)-one, 9-bromo-7,12-dihydro-,Bromo Paullone,Kenpaullone/,Paullone Analog 5,ACMC-20ddkx,Kinome_3565,Tocris-1398,Kenpaullone,NSC-664704,CHEBI:92658,CTK4C3027,KS-00001CXD,DTXSID10161994,EX-A702,MolPort-003-848-302,QQUXFYAWXPMDOE-UHFFFAOYSA-N,BCPP000195,HMS3229K10,HMS3262A15,HMS3267F14,HMS3650F17,ZINC1639355,Tox21_500647,ABP000744,BS0103,CCG-35778,CCG-36383,DNC004072,HSCI1_000038,IN2324,s7917,AKOS024456573,BCP9000809,CS-5049,Indolo[3, 9-bromo-7,12-dihydro-,,LP00647,RL01755,RTR-005586,TRA0013617,TRA0100550,SMP2_000306,NCGC00015582-01,NCGC00015582-02,NCGC00015582-03,NCGC00015582-04,NCGC00015582-05,NCGC00015582-06,NCGC00025143-01,NCGC00025143-02,NCGC00025143-03,NCGC00025143-04,NCGC00261332-01,4CA-0692,AK468726,CJ-26388,HY-12302,KB-78018,NCI60_022295,PL000518,SMR001456311,RT-013438,B6720,EU-0100647,FT-0670607,K0052,X5716,K 9-Bromo-7,12-dihydr9-Bromo-7,12-dihydroindolo[3,2-d][1]benzazepin-6(5H)-one C1C2=C(C3=CC=CC=C3NC1=O)NC4=C2C=C(C=C4)Br
Mol Indirubin 479-41-4 pan Isoindigotin 1999 10 7.5 2.2 n.d. 12 n.d. n.d. n.d. n.d. GSK-3beta 25 Nat Cell Biol. 1999 May;1(1):60-7. Indirubin,Indigopurpurin,479-41-4,Couroupitine B,Indigo Red,NSC 105327,BRN 0088279,C.I. 73200,C16H10N2O2,AK128411,CPD000466311,(E)-[2,3'-biindolinylidene]-2',3-dione,[2,3'-Biindolinylidene]-2',3-dione,(delta(sup 2,3')-BIINDOLINE)-2',3-DIONE,Q-100514,397242-72-7,SMR000466311,UNII-V86L8P74GI,NSC-105327,S2386_Selleck,AC1NSDZI,2-(2-oxo-1H-indol-3-ylidene)-1H-indol-3-one,EM-A05-INDIRUBIN,SCHEMBL27678,5-24-08-00507 (Beilstein Handbook Reference),MLS000759416,MLS001424211,MLS002473308,V86L8P74GI,CHEBI:92322,EX-A347,MolPort-005-938-544,HMS2051H20,HMS2234G06,HY-N0117,BDBM50349806,MFCD00221745,s2386,SBB066116,WTI-11263,AKOS015895136,ZINC100015416,(delta2,3'-Biindoline)-2',3-dione,AC-8003,BCP9000788,CCG-101058,CS-3682,DB12379,Indirubin-Supplied by Selleck Chemicals,NC00308,BT000360,HE055033,LS-43983,SAM001246563,AB0020115,AX8008483,TR-017591,V0881,(delta2,3'-Biindoline)-2',3-dione (8CI),W-2665,(E)-[2,3-BIINDOLINYLIDENE]-2,3-DIONE,AB00639939-06,479I414,I06-0433,(3E)-3-(3-oxo-1H-indol-2-ylidene)-1H-indol-2-one,3-[(2E)-3-OXO-1H-INDOL-2-YLIDENE]-1H-INDOL-2-ONE,2H-Indol-2-one, 3-(1,3-dihydro-3-oxo-2H-indol-2-ylidene)-1,3-dihydro- (9CI),Indigo Red|||Couroupitine B|||(3E)-3-(3-Oxo-1H-indol-2-ylidene)-1H-indol-2-one,906748-38-7 C1=CC=C2C(=C1)/C(=C\3/C(=O)C4=CC=CC=C4N3)/C(=O)N2
Mol Indirubin-3'-monoxime 160807-49-8 pan 1999 0.18 0.25; 0.5 0.44 n.d. 3.33 n.d. n.d. >4 0.05 GSK-3beta 25 Nat Cell Biol. 1999 May;1(1):60-7; AIDS. 2005 Dec 2;19(18):2087-95. -monoxime,CHEMBL126077,CHEMBL216543,IN1458,MFCD02683594,UNM-0000305771,(Z)-1H,1'H-[2,3']BIINDOLYLIDENE-3,2'-DIONE-3-OXIME,3-[1,3-dihydro-3-(hydroxyimino)-2H-indol-2-ylidene]-1,3-dihydro-2H-indol-2-one,667463-82-3,IXM,Indirubin 3-oxime,3-?[1,?3-?DIHYDRO-?3-?(HYDROXYIMINO)-?2H-?INDOL-?2-?YLIDENE]-?1,?3-?DIHYDRO-?2H-?INDOL-?2-?ONE,Tocris-1813,AC1NS0ZU,BiomolKI_000070,Lopac-I-0404,BiomolKI2_000074,Lopac0_000619,BSPBio_001108,KBioGR_000448,KBioSS_000448,SCHEMBL378779,BMK1-G10,GTPL5989,SCHEMBL1574499,SCHEMBL12005849,SCHEMBL13046776,SCHEMBL13714093,Ambap160807-49-8,BCBcMAP01_000150,BDBM54681,CHEBI:92352,cid_5326739,CTK8F1327,KBio2_000448,KBio2_003016,KBio2_005584,KBio3_000835,KBio3_000836,DTXSID90416111,1q41,FQCPPVRJPILDIK-UHFFFAOYSA-N,HBDSHCUSXQATPO-BGBJRWHRSA-N,MolPort-003-848-177,MolPort-003-983-771,Bio2_000394,Bio2_000874,HMS1362H09,HMS1792H09,HMS1990H09,HMS3229C06,HMS3260M14,HMS3268I10,HMS3403H09,Tox21_500146,1800AH,BDBM50132003,BDBM50166289,BS0100,DNC000796,DNC007553,HSCI1_000200,IN2322,NSC717829,ZINC18279871,AKOS015910263,AKOS024456796,AKOS030241899,ZINC100001998,ZINC100116081,ZINC100382229,ZINC299888368,ZINC299888369,CCG-100674,CS-5425,DB02052,LP00146,NSC-717829,IDI1_002149,KS-0000182S,NCGC00015545-01,NCGC00015545-02,NCGC00015545-03,NCGC00015545-04,NCGC00015545-05,NCGC00015545-06,NCGC00015545-07,NCGC00015545-08,NCGC00025304-01,NCGC00025304-02,NCGC00025304-03,NCGC00025304-04,NCGC00025304-05,NCGC00260831-01,3-[(3E)-3-(HYDROXYIMINO)-2,3-DIHYDRO-1H-INDOL-2-YLIDENE]-2,3-DIHYDRO-1H-INDOL-2-ONE,AJ-70521,AJ-70522,AK-59945,HE005339,HE285952,HE315808,HY-19807,KB-52648,NCI60_040633,RT-013335,B6865,EU-0100619,FT-0670332,Indirubin-3'-oxime, >=98% (HPLC), solid,I 0404,Indirubin-3 inverted exclamation mark -monoxime,K00076,3-[3-(hydroxyamino)-1H-indol-2-yl]-2-indolone,3-[3-(oxidanylamino)-1H-indol-2-yl]indol-2-one,1H,1'H-[2,3']biindolylidene3,2'-dione-3-oxime,3-(3-(hydroxyimino)indolin-2-ylidene)indolin-2-one,3-(Hydroxyimino)-[2,3'-biindolinylidene]-2'-one,J-009757,BRD-K19136521-001-01-4,BRD-K53959060-001-01-3,I14-40870,(2Z)-2-(2-Oxoindoline-3-ylidene)indoline-3-one oxime,1H,1''H-[2,3'']Biindolylidene-3,2''-dione 3-oxime,3-[3-(hydroxyamino)-1H-indol-2-yl]-2H-indol-2-one,(3Z)-3-[(3E)-3-hydroxyiminoindolin-2-ylidene]indolin-2-one,(Z)-1H,1''H-[2,3'']Biindolylidene-3,2''-dione 3-oxime,1H,1''''H-[2,3'''']Biindolylidene-3,2''''-dione 3-oxime,3-[(3E)-3-(hydroxyimino)-1H-indol-2-ylidene]-1H-indol-2-one,(Z)-1H,1''''H-[2,3'''']Biindolylidene-3,2''''-dione 3-oxime,(3Z)-3-[(3E)-3-(hydroxyimino)-1,3-dihydro-2H-indol-2-ylidene]-1,3-dihydro-2H-indol-2-one,2H-Indol-2-one, 3-[1,3-dihydro-3-(hydroxyamino)-2H-indol-2-ylidene]-1,3-dihydro-, (3Z)- C1=CC=C2C(=C1)C(=C(N2)C3=C4C=CC=CC4=NC3=O)NO
Mol Indirubin-5-sulfonic acid - pan E226 1999 0.055 0.15 0.035 n.d. 0.3 n.d. n.d. n.d. n.d. GSK-3beta 25 Nat Cell Biol. 1999 May;1(1):60-7. C1=CC=C2C(=C1)C(=O)C(=C3C4=C(C=CC(=C4)S(=O)(=O)O)NC3=O)N2
Mol Alsterpaullone 237430-03-4 pan 9-Nitropaullone, NSC705701 2000 0.035 0.2 0.015 n.d. >10 n.d. n.d. n.d. n.d. GSK-3beta 25 Eur J Biochem. 2000 Oct;267(19):5983-94. alsterpaullone,9-Nitropaullone,237430-03-4,NSC 705701,NSC-705701,CHEMBL50894,MLS002702475,9-Nitro-7,12-dihydroindolo[3,2-d][1]benzazepin-6(5H)-one,9-nitro-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one,Paullone Analog 1,AC1NMCUD,Kinome_3754,1q3w,Alsterpaullone derivative, 2,CBiol_001723,Lopac0_000057,BDBM7262,GTPL5925,SCHEMBL2170104,BDBM84528,CTK8F0374,ZINC23894,DTXSID50407444,CHEBI:138488,MolPort-003-983-851,Bio1_000009,Bio1_000498,Bio1_000987,HMS2043P15,HMS3229A10,AOB33710,DNC000116,HSCI1_000007,IN2336,MFCD02683579,NSC705701,AKOS015889626,CCG-206812,DB04014,ACM237430034,Alsterpaullone, >=98% (HPLC),{12,17}]octadeca-1(11),2,4,6,12,14,16-heptaen-9-one C1C2=C(C3=CC=CC=C3NC1=O)NC4=C2C=C(C=C4)[N+](=O)[O-]
Mol 10Z-Hymenialdisine 82005-12-7 pan cmpd 1 2000 0.022 0.04 0.07 0.1a 0.6 0.028 n.d. n.d. n.d. GSK-3beta, CK1 32 Chem Biol. 2000 Jan;7(1):51-63. Hymenialdisine,10Z-Hymenialdisine,(Z)-Hymenialdisine,CHEMBL361708,95569-43-0,82005-12-7,(4Z)-4-(2-amino-4-oxo-1H-imidazol-5-ylidene)-2-bromo-1,5,6,7-tetrahydropyrrolo[2,3-c]azepin-8-one,Hymenialdisine, 4-(2-Amino-4-oxo-2-imidazolidin-5-ylidene)-2-bromo-4,5,6,7-tetrahydropyrrolo[2,3-c]azepin-8-one,AC1MHZEP,SCHEMBL155899,BDBM7491,STO156,SCHEMBL15426167,4-(2-Amino-5-oxo-3,5-dihydro-imidazol-4-ylidene)-2-bromo-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]azepin-8-one,DNC000029,NSC607173,NSC626158,ZINC17175232,AKOS024456651,NSC-607173,NSC-626158,SK&F 108752,SK&F-108752,B722657K109,K00223,(4Z)-4-(2-Amino-1,5-dihydro-5-oxo-4H-imidazol-4-ylidene)-2-bromo-4,5,6,7-tetrahydropyrrolo[2,3-c]azepin-8(1H)-one,(4Z)-4-(2-amino-5-oxo-3,5-dihydro-4H-imidazol-4-ylidene)-2-bromo-4,5,6,7-tetrahydropyrrolo[2,3-c]azepin-8(1H)-one,(Z)-4-(2-amino-4-oxo-1H-imidazol-5(4H)-ylidene)-2-bromo-4,5,6,7-tetrahydropyrrolo[2,3-c]azepin-8(1H)-one,2-amino-5-[(4Z)-2-bromo-8-oxo-1H,4H,5H,6H,7H,8H-pyrrolo[2,3-c]azepin-4-ylidene]-4,5-dihydro-1H-imidazol-4-one,4-(2-amino-4-oxo-1H-imidazol-5(4H)-ylidene)-2-bromo-4,5,6,7-tetrahydropyrrolo[2,3-c]azepin-8(1H)-one,4-(2-Amino-4-oxo-2-imidazolidin-5-ylidene)-2-bromo-4,5,6,7-tetrahydropyrrolo[2,3-c]azepin-8-one,4-[2-Amino-5-oxo-1,5-dihydro-imidazol-(4Z)-ylidene]-2-bromo-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]azepin-8-one,4-[2-Amino-5-oxo-3,5-dihydro-imidazol-(4Z)-ylidene]-2-bromo-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]azepin-8-one,Pyrrolo(2,3-c)azepin-8(1H)-one, 4-(2-amino-1,5-dihydro-5-oxo-4H-imidazol-4-ylidene)-2-bromo-4,5,6,7-tetrahydro-,Pyrrolo[2, 4-(2-amino-1,5-dihydro- 5-oxo-4H-imidazol-4-ylidene)-2-bromo-4,5,6,7-tetrahydro-, (Z)- C\1CNC(=O)C2=C(/C1=C\3/C(=O)N=C(N3)N)C=C(N2)Br
Mol 5-Iodo-indirubin-3'-monoxime - pan cmpd 15 2001 0.025 n.d. n.d. n.d. n.d. 0.02 n.d. n.d. n.d. GSK-3beta 3 J Biol Chem. 2001 Jan 5;276(1):251-60. C1=CC=C2C(=C1)C(=C(N2)C3=C4C=C(C=CC4=NC3=O)I)NO
Mol Aloisine A 496864-16-5 pan RP107, cmpd 39 2003 0.15 0.4 0.12 n.d. >100 0.2 n.d. n.d. n.d. GSK-3 26 J Med Chem. 2003 Jan 16;46(2):222-36. ALOISINE A,4-(7-butyl-5H-pyrrolo[2,3-b]pyrazin-6-yl)phenol,496864-16-5,RP107,CHEMBL75680,7-n-Butyl-6-(4-hydroxyphenyl)[5H]pyrrolo[2,3-b]pyrazine,6-PHENYL[5H]PYRROLO[2,3-B]PYRAZINE,IN1539,RP-107,ALH,4-{7-butyl-5H-pyrrolo[2,3-b]pyrazin-6-yl}phenol,4-(7-Butyl-5H-pyrrolo[2,3-b]pyrazin-6-yl)-phenol,1ung,SCHEMBL80147,ALOISINE A and RP107,AC1NS169,BDBM7377,GTPL5924,CHEBI:93641,CTK8D4068,DTXSID30416115,HMS3229A14,RM-39,ACT06534,ZINC2540737,CB-103,DNC003874,HSCI1_000219,MFCD04973541,AKOS005145972,CCG-206814,DB07364,RTC-063070,ACM496864165,AJ-39131,AK-31951,HE005462,HE345512,RP-107, >=98% (HPLC), solid,AX8150569,DB-026133,KB-238697,TC-063070,FT-0661524,A15596,K00059,6-phenyl[5H]pyrrolo[2,3-b]pyrazine (aloisine) 39,BRD-K93658967-001-01-7,I14-10370,7-n-Butyl-6-(4-hydroxyphenyl)[5H]-pyrrolo[2,3-b]pyrazine,4-(7-butyl-1,5-dihydropyrrolo[2,3-b]pyrazin-6-ylidene)cyclohexa-2,5-dien-1-one,4-{7-butyl-1H,5H,6H-pyrrolo[2,3-b]pyrazin-6-ylidene}cyclohexa-2,5-dien-1-one,4-{7-BUTYL-1H,5H-PYRROLO[2,3-B]PYRAZIN-6-YLIDENE}CYCLOHEXA-2,5-DIEN-1-ONE CCCCC1=C2C(=NC=CN2)NC1=C3C=CC(=O)C=C3
Mol Aloisine B 496864-14-3 pan RP90, cmpd 37 2003 0.85 n.d. n.d. n.d. n.d. 13 n.d. n.d. n.d. GSK-3 3 J Med Chem. 2003 Jan 16;46(2):222-36. CC(C1=C(C2=CC=C(Cl)C=C2)NC3=NC=CN=C31)C
Mol SNS032 345627-80-7 pan Confirmed: Jorda et. al.(kinase assay) BMS387032, cmpd 21 2004 0.48 0.048 0.038 0.056 0.925a 0.74a >1 0.062 0.004 442 J Med Chem. 2004 Mar 25;47(7):1719-28; Cancer Chemother Pharmacol. 2009 Sep;64(4):723-32; Nat Biotechnol. 2008 Jan;26(1):127-32. 345627-80-7,SNS-032,BMS-387032,SNS 032,BMS 387032,N-(5-(((5-(tert-Butyl)oxazol-2-yl)methyl)thio)thiazol-2-yl)piperidine-4-carboxamide,N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide,N-(5-{[(5-tert-butyl-1,3-oxazol-2-yl)methyl]sulfanyl}-1,3-thiazol-2-yl)piperidine-4-carboxamide,SNS-032 (BMS-387032),CHEMBL296468,SNS032,C17H24N4O2S2,BMS387032,N-[5-[[[5-(1,1-Dimethylethyl)-2-oxazolyl]methyl]thio]-2-thiazolyl]-4-piperidinecarboxamide,AK113734,BMS-387072,S1145_Selleck,N-(5-(((5-(1,1-Dimethylethyl)-2-oxazolyl)methyl)thio)-2-thiazolyl)-4-piperidinecarboxamide,Kinome_3820,SNS-032, 345627-80-7,AC1MHGD4,4-Piperidinecarboxamide, N-(5-(((5-(1,1-dimethylethyl)-2-oxazolyl)methyl)thio)-2-thiazolyl)-,MolPort-005-942-660,BMS-387032, SNS-032,LS-186036,I09-1579,n-(5-((5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl)-1,3-thiazol-2-yl)piperidine-4-carboxamide,UNII-9979I93686,PubChem16670,Tube004,MLS006011029,SCHEMBL187401,BDBM5931,GTPL5670,CHEBI:91399,cid_3025986,CTK4H2598,DTXSID50188100,EX-A054,OUSFTKFNBAZUKL-UHFFFAOYSA-N,BCPP000066,HMS3654G10,ACT06674,ZINC3816409,ABP000845,MFCD09833875,s1145,AKOS015898717,AN-3519,API0007075,RL03281,BMS-3870032,KS-0000063E,N-(5-(((5-(1,1-Dimethylethyl)-2-oxazolyl)methyl)thio)-2-thiazolyl)-4-peridinecarboxamide,N-(5-((5-tert-butyloxazol-2-yl)methylthio)thiazol-2-yl)piperidine-4-carboxamide,SNS-032-Supplied by Selleck Chemicals,NCGC00263167-01,NCGC00263167-02,4CA-1169,AC-26846,AJ-45713,BC224785,HE065720,HY-10008,SC-84716,SMR004702824,SNS-032(BMS-387032),SNS-032, BMS-387032,AB0033696,AB1008461,AX8165410,SNS-032 - BMS-387032,A6078,FT-0674612,X7382,A20554,W-5410,627B807,J-019645,J-523350,BRD-K43389698-001-01-6,9979I93686,SNS-032(BMS387032)/SNS032,BMS-387032,N-[5-[ SNS-032,SNS-032|||N-[5-[(5-tert-Butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide CC(C)(C)C1=CN=C(O1)CSC2=CN=C(S2)NC(=O)C3CCNCC3
Mol Xylocydine 685901-63-7 pan 2004 0.0014 n.d. 0.061 n.d. n.d. n.d. n.d. n.d. n.d. 5 J Pharmacol Exp Ther. 2004 Mar;308(3):814-9; Nat Biotechnol. 2008 Jan;26(1):127-32. C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)O
Mol RGB286147 784211-09-2 pan CDK/CRK inhibitor, CDK7 inhibitor IV 2005 0.048 0.015 n.d. 0.009a 0.839 n.d. n.d. 0.071 n.d. 300 Chem Biol. 2005 Oct;12(10):1103-15. Cdk/Crk Inhibitor,RGB-286147,Pyrazolopyrimidone analog, RGB-286147,784211-09-2,1-(2,6-Dichlorophenyl)-1,5-dihydro-6-((4-(2-hydroxyethoxy)phenyl)methyl)-3-(1-methylethyl)-4H-pyrazolo[3,4-d]pyrimidin-4-one,K00600a,CHEMBL258721,GTPL5943,SCHEMBL1179657,BDBM59227,CTK8F1289,DTXSID60429556,HMS3229E20,ZINC29056064,CCG-206832,NCGC00345809-01,1-(2,6-dichlorophenyl)-6-{[4-(2-hydroxyethoxy)phenyl]methyl}-3-(propan-2-yl)-1H,2H,4H-pyrazolo[3,4-d]pyrimidin-4-one CC(C)C1=C2C(=NC(=NC2=O)CC3=CC=C(C=C3)OCCO)N(N1)C4=C(C=CC=C4Cl)Cl
Mol Olomoucine II 500735-47-7 pan 2005 7.6 0.1; 0.051 n.d. n.d. 19.8 n.d. n.d. 0.45; 0.793 0.06; 2.694 16 Cell Mol Life Sci. 2005 Aug;62(15):1763-71; Eur J Med Chem. 2013 Mar;61:61-72. Olomoucine II,500735-47-7,IN1181,OlomoucineII,SCHEMBL3514137,CHEBI:95098,CTK8E7535,DTXSID60435137,MolPort-019-939-247,NSC736738,NSC-736738,ACM500735477,HE345845,Olomoucine II, >=97% (HPLC), powder,RT-014855,2-(1-Ethyl-2-hydroxyethylamino)-6-(2-hydroxybenzyl)amino-9-isopropylpurine,olomoucine II, 6-[(2-hydroxybenzyl)amino]-2-[1-(hydroxymethyl)propylamino]- 9-isopropylpurine CCC(CO)NC1=NC2=C(C(=N1)NCC3=CC=CC=C3O)N=CN2C(C)C
Mol JNJ7706621 443797-96-4 pan Confirmed: Jorda et. al.(kinase assay) Aurora kinase/CDK inhibitor, cmpd 3b 2005 0.009; 0.0064 0.003 0.004; 0.002 0.058a 0.253; 0.11 0.24a 0.175 0.760a 0.47a Aurora A/B 317 Cancer Res. 2005 Oct 1;65(19):9038-46; J Med Chem. 2005 Jun 30;48(13):4208-11; Nat Biotechnol. 2008 Jan;26(1):127-32. JNJ-7706621,443797-96-4,JNJ7706621,4-((5-Amino-1-(2,6-difluorobenzoyl)-1H-1,2,4-triazol-3-yl)amino)benzenesulfonamide,UNII-74GK72DON8,4-[[5-Amino-1-(2,6-difluorobenzoyl)-1H-1,2,4-triazol-3-yl]amino]benzenesulfonamide,CHEMBL191003,JNJ 7706621,4-(5-amino-1-(2,6-difluorobenzoyl)-1H-1,2,4-triazol-3-ylamino)benzenesulfonamide,4-[[5-amino-1-(2,6-difluorobenzoyl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide,JNJ7706621, 443797-96-4,4-{[5-amino-1-(2,6-difluorobenzoyl)-1,2,4-triazol-3-yl]amino}benzenesulfonamide,JNJ7706621, JNJ-7706621,3ama,4-({5-Amino-1-[(2,6-Difluorophenyl)carbonyl]-1h-1,2,4-Triazol-3-Yl}amino)benzenesulfonamide,SKE,JNJ-770662,RWJ-387252,S1249_Selleck,Kinome_3748,PubChem22455,AC1NS9N9,MLS006011037,74GK72DON8,BDBM6866,GTPL5932,SCHEMBL1060773,C15H12F2N6O3S,CHEBI:94506,cid_5330790,CTK1D4880,KS-00001CRB,DTXSID40416207,SYN1048,KDKUVYLMPJIGKA-UHFFFAOYSA-N,MolPort-009-679-434,BCPP000198,HMS3244O15,HMS3244O16,HMS3244P15,HMS3654J07,AOB87730,ZINC3938688,ABP000841,DNC006694,RS0016,s1249,AKOS016009412,AN-6639,BCP9000805,CS-0179,Benzenesulfonamide, 4-((5-amino-1-(2,6-difluorobenzoyl)-1H-1,2,4-triazol-3-yl)amino)-,NCGC00263151-01,1H-1,2,4-Triazole-3,5-diamine, N3-(4-(aminosulfonyl)phenyl)-1-(2,6-difluorobenzoyl)- 4-((5-amino-1-(2,6-difluorobenzoyl)-1H-(1,2,4)triazol-3-yl)amino)benzenesulfonamide,AJ-47458,AK111497,BC659985,HE066468,HE343612,HY-10329,KB-53028,QC-11795,SMR004702830,AX8219139,A4115,FT-0706504,X7429,JNJ-7706621-Supplied by Selleck Chemicals,A19402,JNJ-7706621,JNJ7706621,JNJ7706621/JNJ-7706621,W-5470,797A964,J-513580,BRD-K11636097-001-01-5,1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 4-(5-Amino-1-(2,6-difluorobenzoyl)-1H-[1,2,4]triazol-3-ylamino)-benzenesulfonamide C1=CC(=C(C(=C1)F)C(=O)N2C(=NC(=N2)NC3=CC=C(C=C3)S(=O)(=O)N)N)F
Mol R547 741713-40-6 pan Ro 4584820, cmpd 39 2006 0.0002; 0.002 0.0004; 0.003 0.0001 0.0008a 0.0001 n.d. n.d. 0.171 0.013 442 Mol Cancer Ther. 2006 Nov;5(11):2644-58; J Med Chem. 2006 Nov 2;49(22):6549-60; Med Res Rev. 2010 Jul;30(4):646-66; Nat Biotechnol. 2011 Oct 30;29(11):1046-51. 741713-40-6,R547,R-547,UNII-T61871RKRI,R 547,(4-amino-2-((1-(methylsulfonyl)piperidin-4-yl)amino)pyrimidin-5-yl)(2,3-difluoro-6-methoxyphenyl)methanone,[4-Amino-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-5-yl](2,3-difluoro-6-methoxyphenyl)methanone,Ro 4584820,RO-4584820,741713-40-6 pound not R 547,5-[(2,3-difluoro-6-Methoxyphenyl)carbonyl]-2-N-(1-Methanesulfonylpiperidin-4-yl)pyriMidine-2,4-diaMine,J-502762,(4-Amino-2-[(1-methylsulfonylpiperidin-4-yl)amino)pyrimidin-5-yl)(2,3-difluoro-6-methoxyphenyl)methanone,(4-Amino-2-{[1-(Methylsulfonyl)piperidin-4-Yl]amino}pyrimidin-5-Yl)(2,3-Difluoro-6-Methoxyphenyl)methanone,[4-amino-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-5-yl]-(2,3-difluoro-6-methoxyphenyl)methanone,(4-amino-2-([1-(methylsulfonyl)piperidin-4-yl]amino)pyrimidin-5-yl)(2,3-difluoro-6-methoxyphenyl)methanone,MLS006010282,GTPL5707,SCHEMBL2397067,T61871RKRI,C18H21F2N5O4S,BDBM12621,DTXSID30225143,EX-A105,JRNJNYBQQYBCLE-UHFFFAOYSA-N,MolPort-023-293-529,HMS3656L13,2,4-Diamino-5-ketopyrimidine 39,MFCD09970629,RG-547,s2688,AKOS025149095,CS-0022,RL04812,NCGC00346632-01,AK186952,AN-16536,BC650553,HE068671,HE203370,HY-10014,KB-36226,SC-50711,SMR004701352,R547, >=98% (HPLC),AB0035919,FT-0687511,Y0369,[4-Amino-2-[ amino]pyrimidin-5-yl] methanone,S-7777,713A406,4-Amino-2-[(1-methylsulfonylpiperidin-4-yl)amino]p,[4-amino-2-(1-methanesulfonyl-piperidin-4-ylamino)-pyrimidin-5-yl]-(2,3-difluoro-6-methoxy-phenyl)-methanone,[4-amino-2-(1-methanesulfonylpiperidin-4-ylamino)pyrimidin-5-yl](2,3-difluoro-6-methoxyphenyl)methanone,[4-amino-2-[(1-methylsulfonyl-4-piperidyl)amino]pyrimidin-5-yl]-(2,3-difluoro-6-methoxy-phenyl)methanone,[4-AMINO-2-[(1-METHYLSULFONYLPIPERIDIN-4-YL)AMINO]PYRIMIDIN-5-YL](2,3-DIFLUORO-6-METHOXYPHENYL)METHANONE(R547),4-Amino-2-(1-methylsulfonylpiperidin-4-yl)aminopyrimidin-5-yl(2,3-difluoro-6-methoxyphenyl)methanone,5-(2,3-difluoro-6-methoxybenzoyl)-2-N-(1-methanesulfonylpiperidin-4-yl)pyrimidine-2,4-diamine,5-(2,3-DIFLUORO-6-METHOXYBENZOYL)-N2-(1-METHANESULFONYLPIPERIDIN-4-YL)PYRIMIDINE-2,4-DIAMINE,Methanone,[4-amino-2-[[1-(methylsulfonyl)-4-piperidinyl]amino]-5-pyrimidinyl](2,3-difluoro-6-methoxyphenyl)- COC1=C(C(=C(C=C1)F)F)C(=O)C2=CN=C(N=C2N)NC3CCN(CC3)S(=O)(=O)C
Mol ZK304709 477588-78-6 pan 2006 0.05 0.004 n.d. n.d. 0.061 n.d. n.d. 0.085 0.005 VEGFR, PDGFR 20 Biomed Pharmacother. 2006 Jul;60(6):269-72. OC[C@H](C)NC1=NC(NC2=CC=C(S(N)(=O)=O)C=C2)=NC=C1Br
Mol RGB286638 784210-87-3 pan 2006 0.002 0.003 n.d. 0.005a 0.004 n.d. n.d. 0.044 0.001 16 Leukemia. 2013 Dec;27(12):2366-75; Induction of tumor regression by the broad-spectrum cyclin dependent kinase inhibitor, RGB-286638. 97th Annual Meeting of AACR. Orlando, FL,1??"5 April 2006. kinase inhibitor, RGB-286638, 97th Annual Meeting AACR, Orlando, Florida, 2006. 784210-87-3,UNII-478ZV54680,RGB 286638,RGB-286638 dihydrochloride,SCHEMBL1178926,DTXSID40229071,AKOS030526899,CS-3453,BC600722,HY-15504,KB-310898,478ZV54680,Urea, N-(1,4-dihydro-3-(4-((4-(2-methoxyethyl)-1-piperazinyl)methyl)phenyl)-4-oxoindeno(1,2-c)pyrazol-5-yl)-N'-4-morpholinyl-, dihydrochloride COCCN1CCN(CC1)CC2=CC=C(C=C2)C3=NNC4=C3C(=O)C5=C4C=CC=C5NC(=O)NN6CCOCC6.Cl.Cl
Mol P276-00 920113-03-7 pan Riviciclib 2007 0.079 2.54 0.224 n.d. 0.063 n.d. n.d. 2.87 0.02 14 Mol Cancer Ther. 2007 Mar;6(3):918-25. 920113-03-7,UNII-DRP53ZDY6H,P276-00,2-(2-Chlorophenyl)-5,7-dihydroxy-8-((2R,3S)-2-(hydroxymethyl)-1-methylpyrrolidin-3-yl)-4H-chromen-4-one hydrochloride,2-(2-chlorophenyl)-5,7-dihydroxy-8-[(2R,3S)-2-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-4H-chromen-4-one hydrochloride,C21H20ClNO5.ClH,DRP53ZDY6H,P-27600,SCHEMBL663220,P 276-00,P-276-00,MolPort-035-395-770,OOVTUOCTLAERQD-OJMBIDBESA-N,AOB87196,2625AH,s8058,AKOS027301526,4H-1-Benzopyran-4-one, 2-(2-chlorophenyl)-5,7-dihydroxy-8-((2R,3S)-2-(hydroxymethyl)-1-methyl-3-pyrrolidinyl)-, hydrochloride (1:1),AK279727,BC600345,(+)-trans-2-(2-Chloro-phenyl)-5,7-dihydroxy-8-(2-hydroxymethyl-1-methyl-pyrrolidin-3-yl)-chromen-4-one hydrochloride,(+)-trans-2-(2-Chlorophenyl)-5,7-dihydroxy-8-(2-hydroxymethyl-1-methyl-pyrrolidin-3-yl)-chromen-4-one hydrochloride,2-(2-Chlorophenyl)-5,7-dihydroxy-8-[(2R,3S)-2-(hydroxymethyl)-1-methylpyrrolidin-3-yl]chromen-4-one hydrochloride,2-(2-chlorophenyl)-5,7-dihydroxy-8-[(2R,3S)-2-(hydroxymethyl)-1-methylpyrrolidin-3-yl]chromen-4-one,hydrochloride CN1CC[C@H]([C@@H]1CO)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=CC=C4Cl)O)O.Cl
Mol AG024322 837364-57-5 pan 2007 0.0023 0.00011 0.003 n.d. 0.0029a n.d. 0.0013 0.0043 0.0016 274 J Appl Toxicol. 2007 Mar-Apr;27(2):133-42; Mol Cancer Ther. 2016 Oct;15(10):2273-2281. AG-024322,AG-24322,UNII-926F8X7TNO,837364-57-5,AC1OCFY2,AG 24322,926F8X7TNO,SCHEMBL5793235,CHEMBL3545420,N-[[5-[(3E)-3-(4,6-difluorobenzimidazol-2-ylidene)-1,2-dihydroindazol-5-yl]-4-methylpyridin-3-yl]methyl]ethanamine,DB13035,3-Pyridinemethanamine, 5-(3-(4,6-difluoro-1H-benzimidazol-2-yl)-1H-indazol-5-yl)-N-ethyl-4-methyl-,(E)-N-((5-(3-(4,6-difluoro-2H-benzo[d]imidazol-2-ylidene)-2,3-dihydro-1H-indazol-5-yl)-4-methylpyridin-3-yl)methyl)ethanamine CCNCC1=C(C(=CN=C1)C2=CC\3=C(C=C2)NN/C3=C/4\N=C5C=C(C=C(C5=N4)F)F)C
Mol Meriolin 3 954143-48-7 pan 2007 0.17 n.a. 0.011 ~0.1 >0.1 0.17 >0.1 >0.1 0.006 30 Cancer Res. 2007 Sep 1;67(17):8325-34; Med Res Rev. 2010 Jul;30(4):646-66. MERIOLIN 3,4-(4-Methoxy-1h-Pyrrolo[2,3-B]pyridin-3-Yl)pyrimidin-2-Amine,4-{4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl}pyrimidin-2-amine,CHEMBL270686,SCHEMBL2996575,BDBM50371402,DNC008292,ZINC16052675,DB08178,KB-274295,BRD-K93793598-001-01-9,954143-48-7 COC1=C2C(=CNC2=NC=C1)C3=NC(=NC=C3)N
Mol R-CR8 294646-77-8 pan Confirmed: Jorda et. al.(kinase assay) cmpd 8m 2008 0.13; 0.09 0.041 0.072 n.d. n.d. 0.13; 0.11 n.d. 1.1 0.18 CK1 10 J Med Chem. 2008 Sep 11;51(17):5229-42; Oncogene. 2008 Oct 2;27(44):5797-807. CR8, (R)-Isomer,CHEMBL518800,294646-77-8,3ddp,SCHEMBL13001902,CTK8E7297,DTXSID80436984,HMS3229B13,BDBM50154937,ZINC16052807,AKOS025394606,CR8, >=95% (HPLC),DB08463,RT-012102,(2R)-2-({9-(1-methylethyl)-6-[(4-pyridin-2-ylbenzyl)amino]-9H-purin-2-yl}amino)butan-1-ol,(2R)-2-{[9-isopropyl-6-({[4-(pyridin-2-yl)phenyl]methyl}amino)purin-2-yl]amino}butan-1-ol,RC8 CC[C@H](CO)NC1=NC2=C(C(=N1)NCC3=CC=C(C=C3)C4=CC=CC=N4)N=CN2C(C)C
Mol S-CR8 1084893-56-0 pan 2008 0.15; 3.8 0.06; 0.88 0.08 1.9a 12 0.12; 2.1 13 3 0.11; 1.4 108 Oncogene. 2008 Oct 2;27(44):5797-807. CR8, (S)-Isomer,1084893-56-0,(R)-CR8,3lq5,SCHEMBL9927174,CHEBI:95340,CTK8E7310,DTXSID60649111,HMS3229B15,294646-77-8,AKOS025394134,RT-017313,J-002157,(2S)-2-[[9-isopropyl-6-[[4-(2-pyridyl)phenyl]methylamino]purin-2-yl]amino]butan-1-ol,(2s)-2-({9-(1-Methylethyl)-6-[(4-Pyridin-2-Ylbenzyl)amino]-9h-Purin-2-Yl}amino)butan-1-Ol,(2S)-2-{[9-(Propan-2-yl)-6-({[4-(pyridin-2-yl)phenyl]methyl}amino)-9H-purin-2-yl]amino}butan-1-ol,SLQ CC[C@@H](CO)NC1=NC2=C(C(=N1)NCC3=CC=C(C=C3)C4=CC=CC=N4)N=CN2C(C)C
Mol AZD5597 924641-59-8 pan cmpd (S)-8b 2008 0.011a 0.002a n.d. n.d. n.d. n.d. n.d. n.d. n.d. CYP, hERG 2 Bioorg Med Chem Lett. 2008 Dec 15;18(24):6369-73. 924641-59-8,(S)-(4-((5-Fluoro-4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)pyrimidin-2-yl)amino)phenyl)(3-(methylamino)pyrrolidin-1-yl)methanone,AZD-5597,UNII-N7855W19GY,CHEMBL455657,N7855W19GY,AK-43763,AZD5597,Azd 5597,C23H28FN7O,SCHEMBL1447467,CTK8B8199,DTXSID20239012,MolPort-023-331-483,5622AC,ANW-59646,BDBM50246408,MFCD13184818,ZINC35262051,AKOS016003812,QC-2434,HE207692,KB-74801,Methanone, (4-((5-fluoro-4-(2-methyl-1-(1-methylethyl)-1H-imidazol-5-yl)-2-pyrimidinyl)amino)phenyl)((3S)-3-(methylamino)-1-pyrrolidinyl)-,AX8211354,DB-017907,ST2402700,TC-148391,B5926,FT-0770985,(4-(5-fluoro-4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)pyrimidin-2-ylamino)phenyl)((S)-3-(methylamino)pyrrolidin-1-yl)methanone,(S)-(4-((5-Fluoro-4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)pyrimidin-2-yl)amino)phenyl)(3-(methylami,(S)-(4-(5-fluoro-4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)pyrimidin-2-ylamino)phenyl)(3-(methylamino)pyrrolidin-1-yl)methanone,[4-[[5-fluoro-4-[2-methyl-1-(1-methylethyl)-1H-imidazol-5-yl]-2-pyrimidinyl]amino]phenyl][(3S)-3-(methylamino)-1-pyrrolidinyl]Methanone CC1=NC=C(N1C(C)C)C2=NC(=NC=C2F)NC3=CC=C(C=C3)C(=O)N4CC[C@@H](C4)NC
Mol AZD5438 602306-29-6 pan 2009 0.016 0.006 0.045 n.d. 0.449 0.014 n.d. 0.821 0.02 GSK3?? 44 Mol Cancer Ther. 2009 Jul;8(7):1856-66. 602306-29-6,AZD5438,AZD 5438,AZD-5438,4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)-N-(4-(methylsulfonyl)phenyl)pyrimidin-2-amine,CHEMBL488436,UNII-276Z913G29,2-Pyrimidinamine,4-[2-methyl-1-(1-methylethyl)-1H-imidazol-5-yl]-N-[4-(methylsulfonyl)phenyl]-,4-[2-METHYL-1-ISOPROPYL-1H-IMIDAZOL-5-YL]-N-[4-(METHYLSULFONYL)PHENYL]-2-PYRIMIDINAMINE,276Z913G29,AZD-5438, AZD5438,4-(2-methyl-3-propan-2-ylimidazol-4-yl)-N-(4-methylsulfonylphenyl)pyrimidin-2-amine,4-(3-isopropyl-2-methylimidazol-4-yl)-N-(4-methanesulfonylphenyl)pyrimidin-2-amine,4-(1-isopropyl-2-methyl-1h-imidazol-5-yl)-N-[4-(methylsulfonyl)phenyl]pyrimidin-2-amine,S2621_Selleck,PubChem19336,MLS006011033,GTPL8473,SCHEMBL5092360,CHEBI:91419,AOB2219,EX-A069,MolPort-008-266-713,WJRRGYBTGDJBFX-UHFFFAOYSA-N,BCPP000368,HMS3656B05,ACT06825,AZD5438,AZD 5438,ABP000849,BDBM50246253,DNC009585,MMV676604,s2621,ZINC40442496,AKOS005145565,AZD 5438/AZD-5438,AN-1297,API0007708,BCP9000353,EX-8669,RL04272,NCGC00346617-01,4-[2-Methyl-1-(1-methylethyl)-1H-imidazol-5-yl]-N-[4-(methylsulfonyl)phenyl]-2-pyrimidinamine,4CA-0233,AK-37436,BC650551,HE065177,HE100822,HY-10012,KB-33530,SC-86030,SMR004700644,AB0007970,FT-0724554,X7441,A24976,W-5476,306P296,J-514234,BRD-K72414522-001-02-6,4-(1-Isopropyl-2-methylimidazol-5-yl)-2-[4-(methylsulphonyl)anilino]pyrimidine,4-(3-isopropyl-2-methyl-imidazol-4-yl)-N-(4-methylsulfonylphenyl)pyrimidin-2-amine,2-Pyrimidinamine, 4-(2-methyl-1-(1-methylethyl)-1H-imidazol-5-yl)-N-(4- (methylsulfonyl)phenyl)-,4-[2-Methyl-1-(1-methylethyl)-1H-im idazol-5-yl]-N-[4-(methylsulfonyl)phenyl]-2-pyrimi dinamine,4-[2-METHYL-1-(1-METHYLETHYL)-1H-IM-IDAZOL-5-YL]-N-[4-(METHYLSULFONYL)PHENYL]-2-PYRIMI-DINAMINE CC1=NC=C(N1C(C)C)C2=NC(=NC=C2)NC3=CC=C(C=C3)S(=O)(=O)C
Mol AT7519 844442-38-2 pan 2009 0.21; 0.19 0.51 0.047; 0.044 0.36 0.1; 0.067a n.d. 0.66a 2.4; 2.8 <0.1 442 Mol Cancer Ther. 2009 Feb;8(2):324-32; Cancer Chemother Pharmacol. 2009 Sep;64(4):723-32; Nat Biotechnol. 2011 Oct 30;29(11):1046-51. AT7519,844442-38-2,AT-7519,AT 7519,UNII-X1BF92PW9T,N-(4-Piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H-pyrazole-3-carboxamide,4-(2,6-dichlorobenzamido)-N-(piperidin-4-yl)-1H-pyrazole-3-carboxamide,4-(2,6-Dichloro-benzoylamino)-1H-pyrazole-3-carboxylic acid piperidin-4-ylamide,4-[(2,6-dichlorobenzoyl)amino]-N-piperidin-4-yl-1H-pyrazole-5-carboxamide,4-{[(2,6-dichlorophenyl)carbonyl]amino}-N-piperidin-4-yl-1H-pyrazole-3-carboxamide,pyrazole diamide, 33,PubChem22418,Tube005,X1BF92PW9T,MLS006010064,SCHEMBL955568,C16H17Cl2N5O2,GTPL5662,JMC514986 Compound 33,BDBM24654,CHEBI:91326,DTXSID30233420,EX-A225,MolPort-016-633-226,OVPNQJVDAFNBDN-UHFFFAOYSA-N,BCPP000381,HMS3265A09,HMS3265A10,HMS3265B09,HMS3265B10,HMS3654F20,ABP000847,AT-519,BDBM50113281,MFCD13184820,s1524,ZINC16052857,1H-Pyrazole-3-carboxamide, 4-((2,6-dichlorobenzoyl)amino)-n-4-piperidinyl,AKOS026674096,AT7519-Supplied by Selleck Chemicals,AT7519/AT-7519,BCP9000335,CS-0017,RL05190,4-(2,6-Dichlorobenzoylamino)-1H-pyrazole-3-carboxylic acidAT 7519;844442-38-2,4-(2,6-dichlorobenzamido)-N-(piperidin-4-yl)-1H-pyrazole-5-carboxamide,4-N-(2,6-dichlorobenzene)-3-N-(piperidin-4-yl)-1H-pyrazole-3,4-diamido,4-(2,6-DICHLOROBENZAMIDO)-N-(PIPERIDIN-4-YL)-2H-PYRAZOLE-3-CARBOXAMIDE,4-(2,6-dichlorobenzoylamino)-1H-pyrazole-3-carboxylic acid piperidin-4-ylamide,4-[(2,6-dichlorobenzene)amido]-N-(piperidin-4-yl)-1H-pyrazole-3-carboxamide C1CNCCC1NC(=O)C2=C(C=NN2)NC(=O)C3=C(C=CC=C3Cl)Cl
Mol Dinaciclib 779353-01-4 pan Confirmed: Jorda et. al.(kinase assay) SCH727965 2010 0.003a; 0.01 0.001a; 0.0013 0.001 0.0012 n.d. 0.001a; 0.0008 n.d. 0.0052 0.004a; 0.001 274 Mol Cancer Ther. 2010 Aug;9(8):2344-53; Mol Cancer Ther. 2016 Oct;15(10):2273-2281. Dinaciclib,779353-01-4,SCH727965,Dinaciclib (SCH727965),SCH-727965,SCH 727965,MK-7965,(2S)-1-[3-Ethyl-7-[[(1-oxido-3-pyridinyl)methyl]amino]pyrazolo[1,5-a]pyrimidin-5-yl]-2-piperidineethanol,J-501008,C21H28N6O2,(S)-3-(((3-ethyl-5-(2-(2-hydroxyethyl)piperidin-1-yl)pyrazolo[1,5-a]pyrimidin-7-yl)amino)methyl)pyridine 1-oxide,UNII-4V8ECV0NBQ,Tube003,Dinaciclib (USAN/INN),4V8ECV0NBQ,Sch 727965/Dinaciclib,MLS006011034,GTPL7379,Dinaciclib (SCH-727965),CHEMBL2103840,SCHEMBL12048446,CHEBI:95060,MolPort-023-293-537,AOB87336,ABP001007,BDBM50139171,DCL001081,NSC747135,s2768,ZINC34894449,AKOS030526898,CS-0541,DB12021,NSC-727135,NSC-747135,RL05018,AN-16669,BC261958,HY-10492,KB-76642,QC-11639,SMR004702827,AB0008052,SCH 727965,SCH727965, Dinaciclib,Y0347,D09604,W-5602,BRD-K13662825-001-02-6,779353-01-4 , C21H28N6O2 , SCH 727965 , SCH-727965,1-[3-Ethyl-7[[(1-oxido-3-pyridinyl)methyl]amino]pyrazolo[1,5-a]pyrimidin-5-yl]-2(s)-piperidineethanol,1000697-89-1,2-[(2S)-1-[3-ethyl-7-[(1-oxidopyridin-1-ium-3-yl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]-2-piperidyl]ethanol,2-[(2S)-1-[3-ethyl-7-[(1-oxidopyridin-1-ium-3-yl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol CCC1=C2N=C(C=C(N2N=C1)NCC3=C[N+](=CC=C3)[O-])N4CCCC[C@H]4CCO
Mol PHA793887 718630-59-2 pan cmpd 31 2010 0.06 0.008 0.008 n.d. 0.062 0.005 n.d. 0.01 0.138 44 Bioorg Med Chem. 2010 Mar 1;18(5):1844-53. PHA-793887,718630-59-2,3-Methyl-N-[1,4,5,6-tetrahydro-6,6-dimethyl-5-[(1-methyl-4-piperidinyl)carbonyl]pyrrolo[3,4-c]pyrazol-3-yl]butanamide,UNII-MKS45S912B,MKS45S912B,N-(6,6-dimethyl-5-(1-methylpiperidine-4-carbonyl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-yl)-3-methylbutanamide,CHEMBL1230607,PHA793887, PHA-793887,C19H31N5O2,N-(6,6-Dimethyl-5-(1-methylpiperidine-4-carbonyl)-1,4,5,6-tetrahydropyrrolo(3,4-C)pyrazol-3-yl)-3-methylbutanamide,N-[6,6-dimethyl-5-(1-methylpiperidine-4-carbonyl)-1H,4H-pyrrolo[3,4-c]pyrazol-3-yl]-3-methylbutanamide,S1487_Selleck,MLS006010173,SCHEMBL5110328,CHEBI:91371,CTK5D5171,KS-00000XGS,DTXSID50222134,MolPort-009-679-503,BCPP000110,HMS3265M13,HMS3265M14,HMS3265N13,HMS3265N14,HMS3654B16,AOB87190,ABP000550,BDBM50378657,PHA793887,ZINC52509437,AKOS015995002,DB12686,PHA 793887,QC-8186,RL04741,PHA-793887/,NCGC00263168-01,AK474119,Butanamide, 3-methyl-N-(1,4,5,6-tetrahydro-6,6-dimethyl-5-((1-methyl-4-piperidinyl)carbonyl)pyrrolo(3,4-C)pyrazol-3-yl)-,HE064606,HE115149,HY-11001,KB-79907,SC-96644,SMR004701281,DB-074487,PHA-793887-Supplied by Selleck Chemicals,FT-0660374,S1487,X7380,S-7775,J-512917,BRD-K64800655-001-01-7,N-[6,6-dimethyl-5-(1-methylpiperidine-4-carbonyl)-1,4-dihydropyrrolo[3,4-c]pyrazol-3-yl]-3-methylbutanamide CC(C)CC(=O)NC1=NNC2=C1CN(C2(C)C)C(=O)C3CCN(CC3)C
Mol LCQ195 902156-99-4 pan NVP-LCQ195; AT9311 2011 0.002 0.005 0.002 0.042 n.d. 0.001 n.d. 0.003564 0.015 CLK3, CHK2 9 Br J Haematol. 2011 Feb;152(4):420-32. NVP LCQ195;LCQ 195;AT9311;AT 9311,4-(2,6-dichlorobenzamido)-N-(1-(methylsulfonyl)piperidin-4-yl)-1H-pyrazole-3-carboxamide,4-(2,6-Dichlorobenzamido)-N-(1-(methylsulfonyl)piperidin-4-yl)-1H-pyrazole-5-carboxamide,4-(2,6-dichloro-benzoylamino)-1H-pyrazole-3-carboxylic acid (1-methanesulfonyl-piperidin-4-yl)-amide,4-(2,6-dichloro-benzoylamino)-1H-pyrazole-3-carboxylic acid (1-methanesulphonyl-piperidin-4-yl)-amide,4-(2,6-dichlorobenzoylamino)-1H-pyrazole-3-carboxylic acid (1-methanesulphonyl-piperidin-4-yl)-amide CS(=O)(=O)N1CCC(CC1)NC(=O)C2=C(C=NN2)NC(=O)C3=C(C=CC=C3Cl)Cl
Mol TG02 937270-47-8 pan SB1317, cmpd 26h 2012 0.009a 0.005a 0.013 0.008a n.d. 0.004a n.d. 0.037a 0.003a JAK2/FLT3 63 Leukemia. 2012 Feb;26(2):236-43; J Med Chem. 2012 Jan 12;55(1):169-96. SB1317,TG02,937270-47-8,CHEMBL1944698,TG-02,SB-1317,C23H24N4O,1204918-72-8,Tube011,SCHEMBL823947,GTPL9095,SCHEMBL2298965,SCHEMBL17595943,UNII-40D08182TT,EX-A239,AOB87361,4029AH,BDBM50363196,MFCD22124499,ZINC68251500,AKOS030527020,AKOS032950000,SB1317(TG-02),40D08182TT,CS-0884,compound 26h [PMID: 22148278],HY-15166,KB-80503,W-5884,(E)-6-methyl-12-oxa-3,6-diaza-2(4,2)-pyrimidina-1,4(1,3)-dibenzenacyclododecaphan-8-ene,14-Methyl-20-oxa-5,7,14,27-tetraazatetracyclo [19.3.1.12,6.18,12]heptacosa-1(25),2,4,6(27),8,10,12(26),16,21,23-decaene,14-methyl-20-oxa-5,7,14,27-tetraazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2,4,6(27),8,10,12(26),16,21,23-decaene CN1C/C=C/CCOC2=CC=CC(=C2)C3=NC(=NC=C3)NC4=CC=CC(=C4)C1
Mol BAY1000394 1223498-69-8 pan Roniciclib 2012 0.007 0.009 n.d. <0.010a 0.011a n.d. n.d. 0.025 0.005 220 Mol Cancer Ther. 2012 Oct;11(10):2265-73. roniciclib,BAY 1000394,BAY 10-00394,KB-145902,1223498-69-8,BAY-1000394,Tube010,SCHEMBL875845,GTPL7874,S7047,BAY1000394,1223498-69-8,(2R,3R)-3-((2-((4-(cyclopropanesulfonimidoyl)phenyl)amino)-5-(trifluoromethyl)pyrimidin-4-yl)oxy)butan-2-ol C[C@H]([C@@H](C)OC1=NC(=NC=C1C(F)(F)F)NC2=CC=C(C=C2)S(=N)(=O)C3CC3)O