Compile Data Set for Download or QSAR

Found 1727 hits Enz. Inhib. hit(s) with Target = 'Cyclin-dependent kinase 1'   

Target (Institution)	Ligand	Target Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cyclin-dependent kinase (Homo sapiens (human))	BDBM50164702 (4-[4-(3H-Benzoimidazol-5-ylamino)-5-trifluoromethy...) Show SMILES NS(=O)(=O)c1ccc(Nc2ncc(c(Nc3ccc4nc[nH]c4c3)n2)C(F)(F)F)cc1 Show InChI InChI=1S/C18H14F3N7O2S/c19-18(20,21)13-8-23-17(27-10-1-4-12(5-2-10)31(22,29)30)28-16(13)26-11-3-6-14-15(7-11)25-9-24-14/h1-9H,(H,24,25)(H2,22,29,30)(H2,23,26,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars AffyNet	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Research Center Curated by ChEMBL					Assay Description Inhibitory concentration against Cyclin dependent kinase 1				Citation and Details
					More data for this Ligand-Target Pair
Cyclin-dependent kinase (Homo sapiens (human))	BDBM84533 (Alsterpaullone derivative, 7) Show SMILES O=C1Cc2c([nH]c3ccc(cc23)N(=O)=O)-c2cc(CCC#N)ccc2N1 Show InChI InChI=1S/C19H14N4O3/c20-7-1-2-11-3-5-17-15(8-11)19-14(10-18(24)21-17)13-9-12(23(25)26)4-6-16(13)22-19/h3-6,8-9,22H,1-2,10H2,(H,21,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars AffyNet	Article PubMed	n/a	n/a	0.230	n/a	n/a	n/a	n/a	7.5	30
Technische Universität Braunschweig					Assay Description Kinase activity assay using GSK-3beta, CDK1/cyclin B and CDK5/p25.				Citation and Details
					More data for this Ligand-Target Pair
Cyclin-dependent kinase (Homo sapiens (human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars AffyNet	PubMed	n/a	n/a	0.490	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of human CDK1 by kinase inhibition assay				Eur J Med Chem 103: 29-43 (2015)
					More data for this Ligand-Target Pair
Cyclin-dependent kinase (Homo sapiens (human))	BDBM50214095 (CHEMBL248713 | CHEMBL511394 | N-((5-(3-(5-fluoro-1...) Show SMILES CCNCc1cncc(c1)-c1cnc2n[nH]c(-c3nc4ccc(F)cc4[nH]3)c2c1 Show InChI InChI=1S/C21H18FN7/c1-2-23-8-12-5-13(10-24-9-12)14-6-16-19(28-29-20(16)25-11-14)21-26-17-4-3-15(22)7-18(17)27-21/h3-7,9-11,23H,2,8H2,1H3,(H,26,27)(H,25,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars AffyNet	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development L.L.C. Curated by ChEMBL					Assay Description Inhibition of CDK1				Citation and Details
					More data for this Ligand-Target Pair
Cyclin-dependent kinase (Homo sapiens (human))	BDBM50214095 (CHEMBL248713 | CHEMBL511394 | N-((5-(3-(5-fluoro-1...) Show SMILES CCNCc1cncc(c1)-c1cnc2n[nH]c(-c3nc4ccc(F)cc4[nH]3)c2c1 Show InChI InChI=1S/C21H18FN7/c1-2-23-8-12-5-13(10-24-9-12)14-6-16-19(28-29-20(16)25-11-14)21-26-17-4-3-15(22)7-18(17)27-21/h3-7,9-11,23H,2,8H2,1H3,(H,26,27)(H,25,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars AffyNet	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Life Sciences Limited Curated by ChEMBL					Assay Description Inhibition of CDK1/cyclinB (unknown origin)				Citation and Details
					More data for this Ligand-Target Pair
Cyclin-dependent kinase (Homo sapiens (human))	BDBM50297122 ((R)-10-Methyl-9,10,11,12-tetrahydro-7-thia-4,9,12-...) Show SMILES C[C@@H]1CNc2c(sc3ccc4ncccc4c23)C(=O)N1 Show InChI InChI=1S/C15H13N3OS/c1-8-7-17-13-12-9-3-2-6-16-10(9)4-5-11(12)20-14(13)15(19)18-8/h2-6,8,17H,7H2,1H3,(H,18,19)/t8-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars AffyNet	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of CDK2				Citation and Details
					More data for this Ligand-Target Pair
Cyclin-dependent kinase (Homo sapiens (human))	BDBM50214115 (CHEMBL429478 | N-((5-(3-(5-methoxy-1H-benzo[d]imid...) Show SMILES CCNCc1cncc(c1)-c1cnc2n[nH]c(-c3nc4ccc(OC)cc4[nH]3)c2c1 Show InChI InChI=1S/C22H21N7O/c1-3-23-9-13-6-14(11-24-10-13)15-7-17-20(28-29-21(17)25-12-15)22-26-18-5-4-16(30-2)8-19(18)27-22/h4-8,10-12,23H,3,9H2,1-2H3,(H,26,27)(H,25,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars AffyNet	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development L.L.C. Curated by ChEMBL					Assay Description Inhibition of CDK1				Citation and Details
					More data for this Ligand-Target Pair
Cyclin-dependent kinase (Homo sapiens (human))	BDBM50164693 (CHEMBL194721 | N*2*-(3H-Benzoimidazol-5-yl)-N*4*-(...) Show SMILES FC(F)(F)c1cnc(Nc2ccc3nc[nH]c3c2)nc1Nc1ccccc1Cl Show InChI InChI=1S/C18H12ClF3N6/c19-12-3-1-2-4-13(12)27-16-11(18(20,21)22)8-23-17(28-16)26-10-5-6-14-15(7-10)25-9-24-14/h1-9H,(H,24,25)(H2,23,26,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars AffyNet	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Research Center Curated by ChEMBL					Assay Description Inhibitory concentration against Cyclin dependent kinase 1				Citation and Details
					More data for this Ligand-Target Pair
Cyclin-dependent kinase (Homo sapiens (human))	BDBM50400801 (CHEMBL215803) Show SMILES C[C@@H]1C[C@H]2CN1CCn1nc3c(cccc3c1O)-c1nc3c(O2)cccc3nc1O Show InChI InChI=1S/C22H21N5O3/c1-12-10-13-11-26(12)8-9-27-22(29)15-5-2-4-14(18(15)25-27)19-21(28)23-16-6-3-7-17(30-13)20(16)24-19/h2-7,12-13,25H,8-11H2,1H3,(H,23,28)/t12-,13+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars AffyNet	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Universite£ de Sherbrooke Curated by ChEMBL					Assay Description Inhibition of CDK1				Citation and Details
					More data for this Ligand-Target Pair
Cyclin-dependent kinase (Homo sapiens (human))	BDBM50164693 (CHEMBL194721 | N*2*-(3H-Benzoimidazol-5-yl)-N*4*-(...) Show SMILES FC(F)(F)c1cnc(Nc2ccc3nc[nH]c3c2)nc1Nc1ccccc1Cl Show InChI InChI=1S/C18H12ClF3N6/c19-12-3-1-2-4-13(12)27-16-11(18(20,21)22)8-23-17(28-16)26-10-5-6-14-15(7-10)25-9-24-14/h1-9H,(H,24,25)(H2,23,26,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars AffyNet	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Curated by ChEMBL					Assay Description Inhibition of CDK1				Citation and Details
					More data for this Ligand-Target Pair
Cyclin-dependent kinase (Homo sapiens (human))	BDBM50297120 ((R)-9-Methyl-8,9,10,11-tetrahydro-3-oxa-6-thia-8,1...) Show SMILES C[C@@H]1CNc2c(sc3ccc4occc4c23)C(=O)N1 Show InChI InChI=1S/C14H12N2O2S/c1-7-6-15-12-11-8-4-5-18-9(8)2-3-10(11)19-13(12)14(17)16-7/h2-5,7,15H,6H2,1H3,(H,16,17)/t7-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars AffyNet	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of CDK2				Citation and Details
					More data for this Ligand-Target Pair
Cyclin-dependent kinase (Homo sapiens (human))	BDBM50192071 ((13R,15S)-13-methyl-16-oxa-8,9,12,22,24-pentaazahe...) Show SMILES C[C@@H]1C[C@H]2CN1CCn1[nH]c3c(cccc3c1=O)-c1nc3c(O2)cccc3[nH]c1=O Show InChI InChI=1S/C22H21N5O3/c1-12-10-13-11-26(12)8-9-27-22(29)15-5-2-4-14(18(15)25-27)19-21(28)23-16-6-3-7-17(30-13)20(16)24-19/h2-7,12-13,25H,8-11H2,1H3,(H,23,28)/t12-,13+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars AffyNet	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of CDK1				Citation and Details
					More data for this Ligand-Target Pair
Cyclin-dependent kinase (Homo sapiens (human))	BDBM50214108 (CHEMBL248712 | N-((5-(3-(5,6-difluoro-1H-benzo[d]i...) Show SMILES CCNCc1cncc(c1)-c1cnc2n[nH]c(-c3nc4cc(F)c(F)cc4[nH]3)c2c1 Show InChI InChI=1S/C21H17F2N7/c1-2-24-7-11-3-12(9-25-8-11)13-4-14-19(29-30-20(14)26-10-13)21-27-17-5-15(22)16(23)6-18(17)28-21/h3-6,8-10,24H,2,7H2,1H3,(H,27,28)(H,26,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars AffyNet	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development L.L.C. Curated by ChEMBL					Assay Description Inhibition of CDK1				Citation and Details
					More data for this Ligand-Target Pair
Cyclin-dependent kinase (Homo sapiens (human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars AffyNet	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibition of CDK1/cyclinB				Citation and Details
					More data for this Ligand-Target Pair
Cyclin-dependent kinase (Homo sapiens (human))	BDBM50214100 (CHEMBL249303 | N-ethyl-N-((2-(5-(isoquinolin-4-yl)...) Show SMILES CCN(CC)Cc1cccc2nc([nH]c12)-c1n[nH]c2ncc(cc12)-c1cncc2ccccc12 Show InChI InChI=1S/C27H25N7/c1-3-34(4-2)16-18-9-7-11-23-24(18)31-27(30-23)25-21-12-19(14-29-26(21)33-32-25)22-15-28-13-17-8-5-6-10-20(17)22/h5-15H,3-4,16H2,1-2H3,(H,30,31)(H,29,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars AffyNet	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development L.L.C. Curated by ChEMBL					Assay Description Inhibition of CDK1				Citation and Details
					More data for this Ligand-Target Pair
Cyclin-dependent kinase (Homo sapiens (human))	BDBM2492 (US8507510, 1.25 | US8507510, 1.27) Show SMILES COc1cc(Nc2ncc(Br)c(N[C@H](C)[C@H](C)O)n2)ccc1S(C)(=N)=O Show InChI InChI=1S/C16H22BrN5O3S/c1-9(10(2)23)20-15-12(17)8-19-16(22-15)21-11-5-6-14(26(4,18)24)13(7-11)25-3/h5-10,18,23H,1-4H3,(H2,19,20,21,22)/t9-,10+,26?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars AffyNet	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Intellectual Property GmbH US Patent					Assay Description Kinase assay using either CDK1, CDK2 or VEGFR-2.				US Patent US8507510 (2013)
					More data for this Ligand-Target Pair
Cyclin-dependent kinase (Homo sapiens (human))	BDBM2491 (US8507510, 1.26) Show SMILES COc1cc(Nc2ncc(Br)c(N[C@H](C)[C@@H](C)O)n2)ccc1S(C)(=N)=O Show InChI InChI=1S/C16H22BrN5O3S/c1-9(10(2)23)20-15-12(17)8-19-16(22-15)21-11-5-6-14(26(4,18)24)13(7-11)25-3/h5-10,18,23H,1-4H3,(H2,19,20,21,22)/t9-,10-,26?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars AffyNet	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Intellectual Property GmbH US Patent					Assay Description Kinase assay using either CDK1, CDK2 or VEGFR-2.				US Patent US8507510 (2013)
					More data for this Ligand-Target Pair
Cyclin-dependent kinase (Homo sapiens (human))	BDBM50246408 ((4-(5-fluoro-4-(1-isopropyl-2-methyl-1H-imidazol-5...) Show SMILES CN[C@H]1CCN(C1)C(=O)c1ccc(Nc2ncc(F)c(n2)-c2cnc(C)n2C(C)C)cc1 Show InChI InChI=1S/C23H28FN7O/c1-14(2)31-15(3)26-12-20(31)21-19(24)11-27-23(29-21)28-17-7-5-16(6-8-17)22(32)30-10-9-18(13-30)25-4/h5-8,11-12,14,18,25H,9-10,13H2,1-4H3,(H,27,28,29)/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars AffyNet	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CDK1 (unknown origin)				Citation and Details
					More data for this Ligand-Target Pair
Cyclin-dependent kinase (Homo sapiens (human))	BDBM50164726 ((3H-Benzoimidazol-5-yl)-(4-isobutoxy-5-trifluorome...) Show SMILES CC(C)COc1nc(Nc2ccc3nc[nH]c3c2)ncc1C(F)(F)F Show InChI InChI=1S/C16H16F3N5O/c1-9(2)7-25-14-11(16(17,18)19)6-20-15(24-14)23-10-3-4-12-13(5-10)22-8-21-12/h3-6,8-9H,7H2,1-2H3,(H,21,22)(H,20,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars AffyNet	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Research Center Curated by ChEMBL					Assay Description Inhibitory concentration against Cyclin dependent kinase 1				Citation and Details
					More data for this Ligand-Target Pair
Cyclin-dependent kinase (Homo sapiens (human))	BDBM2544 (US8507510, 1.23 | US8507510, 1.41) Show SMILES COc1cc(Nc2ncc(Br)c(N[C@H](C)C(C)(C)O)n2)ccc1S(C)(=N)=O Show InChI InChI=1S/C17H24BrN5O3S/c1-10(17(2,3)24)21-15-12(18)9-20-16(23-15)22-11-6-7-14(27(5,19)25)13(8-11)26-4/h6-10,19,24H,1-5H3,(H2,20,21,22,23)/t10-,27?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars AffyNet	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Intellectual Property GmbH US Patent					Assay Description Kinase assay using either CDK1, CDK2 or VEGFR-2.				US Patent US8507510 (2013)
					More data for this Ligand-Target Pair
Cyclin-dependent kinase (Homo sapiens (human))	BDBM50214107 ((5-(3-(4-(methoxymethyl)-1H-benzo[d]imidazol-2-yl)...) Show SMILES CNCc1cncc(c1)-c1cnc2n[nH]c(-c3nc4cccc(COC)c4[nH]3)c2c1 Show InChI InChI=1S/C22H21N7O/c1-23-8-13-6-15(10-24-9-13)16-7-17-20(28-29-21(17)25-11-16)22-26-18-5-3-4-14(12-30-2)19(18)27-22/h3-7,9-11,23H,8,12H2,1-2H3,(H,26,27)(H,25,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars AffyNet	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development L.L.C. Curated by ChEMBL					Assay Description Inhibition of CDK1				Citation and Details
					More data for this Ligand-Target Pair
Cyclin-dependent kinase (Homo sapiens (human))	BDBM7720 ((3Z)-2-oxo-3-[2-(4-sulfamoylphenyl)hydrazin-1-ylid...) Show SMILES NC(=O)c1ccc2NC(=O)C(=NNc3ccc(cc3)S(N)(=O)=O)c2c1 Show InChI InChI=1S/C15H13N5O4S/c16-14(21)8-1-6-12-11(7-8)13(15(22)18-12)20-19-9-2-4-10(5-3-9)25(17,23)24/h1-7,19H,(H2,16,21)(H2,17,23,24)(H,18,20,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars AffyNet	Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
University of Zurich Curated by ChEMBL					Assay Description Inhibition of CDK1				Citation and Details
					More data for this Ligand-Target Pair
Cyclin-dependent kinase (Homo sapiens (human))	BDBM129353 (US8802686, 11) Show SMILES C[C@@H](O)[C@@H](C)Oc1nc(Nc2ccc(cc2)S(=O)(=O)CCO)ncc1C(F)(F)F Show InChI InChI=1S/C17H20F3N3O5S/c1-10(25)11(2)28-15-14(17(18,19)20)9-21-16(23-15)22-12-3-5-13(6-4-12)29(26,27)8-7-24/h3-6,9-11,24-25H,7-8H2,1-2H3,(H,21,22,23)/t10-,11-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars AffyNet	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Intellectual Property GmbH US Patent					Assay Description CDK1/CycB (200 ng/measuring point) was incubated for 10 min at 22 C. in the presence of different concentrations of test substances (0 and within the...				US Patent US8802686 (2014)
					More data for this Ligand-Target Pair
Cyclin-dependent kinase (Homo sapiens (human))	BDBM50214099 (CHEMBL400569 | N-((5-(3-(5-(4-methylpiperazin-1-yl...) Show SMILES CCNCc1cncc(c1)-c1cnc2[nH]nc(-c3nc4ccc(cc4[nH]3)N3CCN(C)CC3)c2c1 Show InChI InChI=1S/C26H29N9/c1-3-27-13-17-10-18(15-28-14-17)19-11-21-24(32-33-25(21)29-16-19)26-30-22-5-4-20(12-23(22)31-26)35-8-6-34(2)7-9-35/h4-5,10-12,14-16,27H,3,6-9,13H2,1-2H3,(H,30,31)(H,29,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars AffyNet	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development L.L.C. Curated by ChEMBL					Assay Description Inhibition of CDK1				Citation and Details
					More data for this Ligand-Target Pair
Cyclin-dependent kinase (Homo sapiens (human))	BDBM50384172 (CHEMBL2029900) Show SMILES CN1CCN(CC1)C(=O)c1cc(Nc2ncc3cc(CN=O)n(C4CCCC4)c3n2)cn1C Show InChI InChI=1S/C23H30N8O2/c1-28-7-9-30(10-8-28)22(32)20-12-17(15-29(20)2)26-23-24-13-16-11-19(14-25-33)31(21(16)27-23)18-5-3-4-6-18/h11-13,15,18H,3-10,14H2,1-2H3,(H,24,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars AffyNet	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Inhibition of CDK1				Citation and Details
					More data for this Ligand-Target Pair
Cyclin-dependent kinase (Homo sapiens (human))	BDBM50164724 (CHEMBL193922 | N*2*-(3H-Benzoimidazol-5-yl)-N*4*-(...) Show SMILES FC(F)(F)c1cnc(Nc2ccc3nc[nH]c3c2)nc1Nc1cccc(Cl)c1 Show InChI InChI=1S/C18H12ClF3N6/c19-10-2-1-3-11(6-10)26-16-13(18(20,21)22)8-23-17(28-16)27-12-4-5-14-15(7-12)25-9-24-14/h1-9H,(H,24,25)(H2,23,26,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars AffyNet	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Research Center Curated by ChEMBL					Assay Description Inhibitory concentration against Cyclin dependent kinase 1				Citation and Details
					More data for this Ligand-Target Pair
Cyclin-dependent kinase (Homo sapiens (human))	BDBM2492 (US8507510, 1.25 | US8507510, 1.27) Show SMILES COc1cc(Nc2ncc(Br)c(N[C@H](C)[C@H](C)O)n2)ccc1S(C)(=N)=O Show InChI InChI=1S/C16H22BrN5O3S/c1-9(10(2)23)20-15-12(17)8-19-16(22-15)21-11-5-6-14(26(4,18)24)13(7-11)25-3/h5-10,18,23H,1-4H3,(H2,19,20,21,22)/t9-,10+,26?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars AffyNet	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Intellectual Property GmbH US Patent					Assay Description Kinase assay using either CDK1, CDK2 or VEGFR-2.				US Patent US8507510 (2013)
					More data for this Ligand-Target Pair
Cyclin-dependent kinase (Homo sapiens (human))	BDBM2457 (US8507510, 1.18) Show SMILES C[C@@H](O)[C@@H](C)Nc1nc(Nc2ccc(cc2)S(=N)(=O)CCO)ncc1Br Show InChI InChI=1S/C16H22BrN5O3S/c1-10(11(2)24)20-15-14(17)9-19-16(22-15)21-12-3-5-13(6-4-12)26(18,25)8-7-23/h3-6,9-11,18,23-24H,7-8H2,1-2H3,(H2,19,20,21,22)/t10-,11-,26?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars AffyNet	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Intellectual Property GmbH US Patent					Assay Description Kinase assay using either CDK1, CDK2 or VEGFR-2.				US Patent US8507510 (2013)
					More data for this Ligand-Target Pair
Cyclin-dependent kinase (Homo sapiens (human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars AffyNet	Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of CDK1/Cyclin B				Citation and Details
					More data for this Ligand-Target Pair
Cyclin-dependent kinase (Homo sapiens (human))	BDBM27216 ((2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)...) Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1 Show InChI InChI=1S/C19H25ClN6O/c1-11(2)15(9-27)23-19-24-17(22-14-7-5-6-13(20)8-14)16-18(25-19)26(10-21-16)12(3)4/h5-8,10-12,15,27H,9H2,1-4H3,(H2,22,23,24,25)/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars AffyNet	PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human cdc2/cyclin B assessed as [32P] incorporation in histone H1 from [gamma32P]ATP				Science 281: 533-538 (1998)
					More data for this Ligand-Target Pair
Cyclin-dependent kinase (Homo sapiens (human))	BDBM6145 (US8802686, 2 | US8802686, C2) Show SMILES C[C@@H](O)[C@@H](C)Oc1nc(Nc2ccc(cc2)S(C)(=O)=O)ncc1C(F)(F)F Show InChI InChI=1S/C16H18F3N3O4S/c1-9(23)10(2)26-14-13(16(17,18)19)8-20-15(22-14)21-11-4-6-12(7-5-11)27(3,24)25/h4-10,23H,1-3H3,(H,20,21,22)/t9-,10-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars AffyNet	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Intellectual Property GmbH US Patent					Assay Description CDK1/CycB (200 ng/measuring point) was incubated for 10 min at 22 C. in the presence of different concentrations of test substances (0 and within the...				US Patent US8802686 (2014)
					More data for this Ligand-Target Pair
Cyclin-dependent kinase (Homo sapiens (human))	BDBM100907 (US8507510, 1.60) Show SMILES C[C@H](O)[C@@H](C)Nc1nc(Nc2ccc(c(C)c2)S(C)(=N)=O)ncc1Br Show InChI InChI=1S/C16H22BrN5O2S/c1-9-7-12(5-6-14(9)25(4,18)24)21-16-19-8-13(17)15(22-16)20-10(2)11(3)23/h5-8,10-11,18,23H,1-4H3,(H2,19,20,21,22)/t10-,11+,25?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars AffyNet	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Intellectual Property GmbH US Patent					Assay Description Kinase assay using either CDK1, CDK2 or VEGFR-2.				US Patent US8507510 (2013)
					More data for this Ligand-Target Pair
Cyclin-dependent kinase (Homo sapiens (human))	BDBM50164711 (CHEMBL195423 | N*2*-(3H-Benzoimidazol-5-yl)-5-brom...) Show SMILES Fc1ccc(Nc2nc(Nc3ccc4nc[nH]c4c3)ncc2Br)cc1 Show InChI InChI=1S/C17H12BrFN6/c18-13-8-20-17(24-12-5-6-14-15(7-12)22-9-21-14)25-16(13)23-11-3-1-10(19)2-4-11/h1-9H,(H,21,22)(H2,20,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars AffyNet	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Research Center Curated by ChEMBL					Assay Description Inhibitory concentration against Cyclin dependent kinase 1				Citation and Details
					More data for this Ligand-Target Pair
Cyclin-dependent kinase (Homo sapiens (human))	BDBM50164706 ((3H-Benzoimidazol-5-yl)-(4-o-tolyloxy-5-trifluorom...) Show SMILES Cc1ccccc1Oc1nc(Nc2ccc3nc[nH]c3c2)ncc1C(F)(F)F Show InChI InChI=1S/C19H14F3N5O/c1-11-4-2-3-5-16(11)28-17-13(19(20,21)22)9-23-18(27-17)26-12-6-7-14-15(8-12)25-10-24-14/h2-10H,1H3,(H,24,25)(H,23,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars AffyNet	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Research Center Curated by ChEMBL					Assay Description Inhibitory concentration against Cyclin dependent kinase 1				Citation and Details
					More data for this Ligand-Target Pair
Cyclin-dependent kinase (Homo sapiens (human))	BDBM50164725 (CHEMBL193367 | N*2*-(3H-Benzoimidazol-5-yl)-N*4*-(...) Show SMILES FC(F)(F)c1cnc(Nc2ccc3nc[nH]c3c2)nc1Nc1ccc(Cl)cc1 Show InChI InChI=1S/C18H12ClF3N6/c19-10-1-3-11(4-2-10)26-16-13(18(20,21)22)8-23-17(28-16)27-12-5-6-14-15(7-12)25-9-24-14/h1-9H,(H,24,25)(H2,23,26,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars AffyNet	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Research Center Curated by ChEMBL					Assay Description Inhibitory concentration against Cyclin dependent kinase 1				Citation and Details
					More data for this Ligand-Target Pair
Cyclin-dependent kinase (Homo sapiens (human))	BDBM2578 (US8507510, 1.57 | US8507510, 1.58) Show SMILES C[C@@H](Nc1nc(Nc2ccc(c(C)c2)S(C)(=N)=O)ncc1Br)C(C)(C)O Show InChI InChI=1S/C17H24BrN5O2S/c1-10-8-12(6-7-14(10)26(5,19)25)22-16-20-9-13(18)15(23-16)21-11(2)17(3,4)24/h6-9,11,19,24H,1-5H3,(H2,20,21,22,23)/t11-,26?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars AffyNet	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Intellectual Property GmbH US Patent					Assay Description Kinase assay using either CDK1, CDK2 or VEGFR-2.				US Patent US8507510 (2013)
					More data for this Ligand-Target Pair
Cyclin-dependent kinase (Homo sapiens (human))	BDBM7646 (CHEMBL102926 | Imidazo[1,2-a]pyridine deriv. 6 | N...) Show SMILES CN(C)CC(O)COc1ccc(Nc2nccc(n2)-c2c(C)nc3ccccn23)cc1 Show InChI InChI=1S/C23H26N6O2/c1-16-22(29-13-5-4-6-21(29)25-16)20-11-12-24-23(27-20)26-17-7-9-19(10-8-17)31-15-18(30)14-28(2)3/h4-13,18,30H,14-15H2,1-3H3,(H,24,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars AffyNet	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Curated by ChEMBL					Assay Description Inhibition of CDK1				Citation and Details
					More data for this Ligand-Target Pair
Cyclin-dependent kinase (Homo sapiens (human))	BDBM50375644 (CHEMBL440411) Show SMILES OS(=O)(=O)c1ccc2NC(=O)C(c2c1)c1[nH]c2ccccc2c1N=O Show InChI InChI=1S/C16H11N3O5S/c20-16-13(10-7-8(25(22,23)24)5-6-12(10)18-16)15-14(19-21)9-3-1-2-4-11(9)17-15/h1-7,13,17H,(H,18,20)(H,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars AffyNet	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of Cdk1				Citation and Details Checked by Author
					More data for this Ligand-Target Pair
Cyclin-dependent kinase (Homo sapiens (human))	BDBM2489 (US8507510, 1.19 | US8507510, 1.21) Show SMILES C[C@H](O)[C@@H](C)Nc1nc(Nc2ccc(cc2)S(=N)(=O)CCO)ncc1Br Show InChI InChI=1S/C16H22BrN5O3S/c1-10(11(2)24)20-15-14(17)9-19-16(22-15)21-12-3-5-13(6-4-12)26(18,25)8-7-23/h3-6,9-11,18,23-24H,7-8H2,1-2H3,(H2,19,20,21,22)/t10-,11+,26?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars AffyNet	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Intellectual Property GmbH US Patent					Assay Description Kinase assay using either CDK1, CDK2 or VEGFR-2.				US Patent US8507510 (2013)
					More data for this Ligand-Target Pair
Cyclin-dependent kinase (Homo sapiens (human))	BDBM100890 (US8507510, 1.24) Show SMILES COc1cc(Nc2ncc(Br)c(O[C@H](C)[C@H](C)O)n2)ccc1S(C)(=N)=O Show InChI InChI=1S/C16H21BrN4O4S/c1-9(22)10(2)25-15-12(17)8-19-16(21-15)20-11-5-6-14(26(4,18)23)13(7-11)24-3/h5-10,18,22H,1-4H3,(H,19,20,21)/t9-,10+,26?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars AffyNet	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Intellectual Property GmbH US Patent					Assay Description Kinase assay using either CDK1, CDK2 or VEGFR-2.				US Patent US8507510 (2013)
					More data for this Ligand-Target Pair
Cyclin-dependent kinase (Homo sapiens (human))	BDBM100882 (US8507510, 1.9) Show SMILES C[C@@H](Nc1nc(Nc2ccc(cc2)S(=N)(=O)CC2CC2)ncc1Br)C(C)(C)O Show InChI InChI=1S/C19H26BrN5O2S/c1-12(19(2,3)26)23-17-16(20)10-22-18(25-17)24-14-6-8-15(9-7-14)28(21,27)11-13-4-5-13/h6-10,12-13,21,26H,4-5,11H2,1-3H3,(H2,22,23,24,25)/t12-,28?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars AffyNet	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Intellectual Property GmbH US Patent					Assay Description Kinase assay using either CDK1, CDK2 or VEGFR-2.				US Patent US8507510 (2013)
					More data for this Ligand-Target Pair
Cyclin-dependent kinase (Homo sapiens (human))	BDBM100904 (US8507510, 1.51) Show SMILES CCS(=N)(=O)c1ccc(Nc2ncc(Br)c(N[C@H](C)[C@H](C)O)n2)cc1 Show InChI InChI=1S/C16H22BrN5O2S/c1-4-25(18,24)13-7-5-12(6-8-13)21-16-19-9-14(17)15(22-16)20-10(2)11(3)23/h5-11,18,23H,4H2,1-3H3,(H2,19,20,21,22)/t10-,11+,25?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars AffyNet	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Intellectual Property GmbH US Patent					Assay Description Kinase assay using either CDK1, CDK2 or VEGFR-2.				US Patent US8507510 (2013)
					More data for this Ligand-Target Pair
Cyclin-dependent kinase (Homo sapiens (human))	BDBM50005298 (CHEMBL337300) Show SMILES Oc1[nH]c2ccc(I)cc2c1-c1[nH]c2ccccc2c1N=O Show InChI InChI=1S/C16H10IN3O2/c17-8-5-6-12-10(7-8)13(16(21)19-12)15-14(20-22)9-3-1-2-4-11(9)18-15/h1-7,18-19,21H	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars AffyNet	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of Cdk1				Citation and Details Checked by Author
					More data for this Ligand-Target Pair
Cyclin-dependent kinase (Homo sapiens (human))	BDBM50245910 ((4-(5-fluoro-4-(1-isopropyl-2-methyl-1H-imidazol-5...) Show SMILES CC(C)n1c(C)ncc1-c1nc(Nc2ccc(cc2)C(=O)N2CCCN(C)CC2)ncc1F Show InChI InChI=1S/C24H30FN7O/c1-16(2)32-17(3)26-15-21(32)22-20(25)14-27-24(29-22)28-19-8-6-18(7-9-19)23(33)31-11-5-10-30(4)12-13-31/h6-9,14-16H,5,10-13H2,1-4H3,(H,27,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars AffyNet	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CDK1 (unknown origin)				Citation and Details
					More data for this Ligand-Target Pair
Cyclin-dependent kinase (Homo sapiens (human))	BDBM50297121 ((R)-9-Methyl-1,2,8,9,10,11-hexahydro-3-oxa-6-thia-...) Show SMILES C[C@@H]1CNc2c(sc3ccc4OCCc4c23)C(=O)N1 Show InChI InChI=1S/C14H14N2O2S/c1-7-6-15-12-11-8-4-5-18-9(8)2-3-10(11)19-13(12)14(17)16-7/h2-3,7,15H,4-6H2,1H3,(H,16,17)/t7-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars AffyNet	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of CDK2				Citation and Details
					More data for this Ligand-Target Pair
Cyclin-dependent kinase (Homo sapiens (human))	BDBM2546 (US8507510, 1.42) Show SMILES C[C@H](Nc1nc(Nc2ccc(cc2)S(C)(=N)=O)ncc1Br)C(C)(C)O Show InChI InChI=1S/C16H22BrN5O2S/c1-10(16(2,3)23)20-14-13(17)9-19-15(22-14)21-11-5-7-12(8-6-11)25(4,18)24/h5-10,18,23H,1-4H3,(H2,19,20,21,22)/t10-,25?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars AffyNet	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Intellectual Property GmbH US Patent					Assay Description Kinase assay using either CDK1, CDK2 or VEGFR-2.				US Patent US8507510 (2013)
					More data for this Ligand-Target Pair
Cyclin-dependent kinase (Homo sapiens (human))	BDBM2553 (US8507510, 1.44) Show SMILES C[C@H](O)[C@@H](C)Nc1nc(Nc2ccc(cc2)S(C)(=N)=O)ncc1Br Show InChI InChI=1S/C15H20BrN5O2S/c1-9(10(2)22)19-14-13(16)8-18-15(21-14)20-11-4-6-12(7-5-11)24(3,17)23/h4-10,17,22H,1-3H3,(H2,18,19,20,21)/t9-,10+,24?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars AffyNet	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Intellectual Property GmbH US Patent					Assay Description Kinase assay using either CDK1, CDK2 or VEGFR-2.				US Patent US8507510 (2013)
					More data for this Ligand-Target Pair
Cyclin-dependent kinase (Homo sapiens (human))	BDBM65549 (3-[[4-[2-(3-chloroanilino)-4-pyrimidinyl]-2-pyridi...) Show SMILES OCCCNc1cc(ccn1)-c1ccnc(Nc2cccc(Cl)c2)n1 Show InChI InChI=1S/C18H18ClN5O/c19-14-3-1-4-15(12-14)23-18-22-9-6-16(24-18)13-5-8-21-17(11-13)20-7-2-10-25/h1,3-6,8-9,11-12,25H,2,7,10H2,(H,20,21)(H,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars AffyNet	Article PubMed	n/a	n/a	<5.20	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of CDK1				Citation and Details
					More data for this Ligand-Target Pair
Cyclin-dependent kinase (Homo sapiens (human))	BDBM50214111 (4-(3-(4-(methoxymethyl)-1H-benzo[d]imidazol-2-yl)-...) Show SMILES COCc1cccc2nc([nH]c12)-c1[nH]nc2ncc(cc12)-c1cncc2ccccc12 Show InChI InChI=1S/C24H18N6O/c1-31-13-15-6-4-8-20-21(15)28-24(27-20)22-18-9-16(11-26-23(18)30-29-22)19-12-25-10-14-5-2-3-7-17(14)19/h2-12H,13H2,1H3,(H,27,28)(H,26,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars AffyNet	Article PubMed	n/a	n/a	5.60	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development L.L.C. Curated by ChEMBL					Assay Description Inhibition of CDK1				Citation and Details
					More data for this Ligand-Target Pair
Cyclin-dependent kinase (Homo sapiens (human))	BDBM7478 (2-chloro-4-[(2-{[(1R)-1-(hydroxymethyl)-2-methylpr...) Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2ccc(C(O)=O)c(Cl)c2)c2ncn(C(C)C)c2n1 Show InChI InChI=1S/C20H25ClN6O3/c1-10(2)15(8-28)24-20-25-17(16-18(26-20)27(9-22-16)11(3)4)23-12-5-6-13(19(29)30)14(21)7-12/h5-7,9-11,15,28H,8H2,1-4H3,(H,29,30)(H2,23,24,25,26)/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars AffyNet	PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human cdc2/cyclin B assessed as [32P] incorporation in histone H1 from [gamma32P]ATP				Science 281: 533-538 (1998)
					More data for this Ligand-Target Pair

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