Compile Data Set for Download or QSAR

Found 1225 hits with Last Name = 'fischer' and Initial = 'pm'   

Target/Host (Institution)	Ligand	Target/Host 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
Prothrombin (Homo sapiens (Human))	BDBM50147818 ((2-[6-CHLORO-3-{[2,2-DIFLUORO-2-(1-OXIDOPYRIDIN-2-...) Show SMILES [O-][n+]1ccccc1C(F)(F)CNc1ncc(Cl)n(CC(=O)NCc2cc(Cl)ccc2-n2cnnn2)c1=O Show InChI InChI=1S/C21H17Cl2F2N9O3/c22-14-4-5-15(33-12-29-30-31-33)13(7-14)8-26-18(35)10-32-17(23)9-27-19(20(32)36)28-11-21(24,25)16-3-1-2-6-34(16)37/h1-7,9,12H,8,10-11H2,(H,26,35)(H,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.00100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of thrombin (unknown origin)				J Med Chem 61: 3799-3822 (2018) Article DOI: 10.1021/acs.jmedchem.7b00772 BindingDB Entry DOI: 10.7270/Q2C2502H
					More data for this Ligand-Target Pair				3D Structure (crystal)
Plasma kallikrein (Homo sapiens (Human))	BDBM50462133 (CHEMBL4238882) Show SMILES NCc1cccc(C[C@H](NC(=O)[C@@H](CCCc2ccccc2)NS(=O)(=O)Cc2cccc(c2)C(O)=O)C(=O)Cc2ccc(cc2)C(N)=N)c1 |r| Show InChI InChI=1S/C37H41N5O6S/c38-23-28-11-4-10-27(19-28)21-33(34(43)22-26-15-17-30(18-16-26)35(39)40)41-36(44)32(14-6-9-25-7-2-1-3-8-25)42-49(47,48)24-29-12-5-13-31(20-29)37(45)46/h1-5,7-8,10-13,15-20,32-33,42H,6,9,14,21-24,38H2,(H3,39,40)(H,41,44)(H,45,46)/t32-,33+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Competitive inhibition of human plasma kallikrein using S2302 as substrate by UV-visible spectrophotometer				J Med Chem 61: 3799-3822 (2018) Article DOI: 10.1021/acs.jmedchem.7b00772 BindingDB Entry DOI: 10.7270/Q2C2502H
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM81438 (CDK Inhibitor, 11) Show SMILES COCCNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2sc(=O)n(C)c2C)cc1 Show InChI InChI=1S/C18H21N5O4S2/c1-12-16(28-18(24)23(12)2)15-8-9-19-17(22-15)21-13-4-6-14(7-5-13)29(25,26)20-10-11-27-3/h4-9,20H,10-11H2,1-3H3,(H,19,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	0.110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cyclacel Limited					Assay Description Kinase assay using cyclin-dependant kinases (CDK).				Chem Biol 17: 1111-21 (2010) Article DOI: 10.1016/j.chembiol.2010.07.016 BindingDB Entry DOI: 10.7270/Q2BV7F3Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50425006 (CHEMBL2312187) Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2ccc(cc2)S(N)(=O)=O)ncc1C#N Show InChI InChI=1S/C16H15N7O2S2/c1-9-14(26-16(19-2)21-9)13-10(7-17)8-20-15(23-13)22-11-3-5-12(6-4-11)27(18,24)25/h3-6,8H,1-2H3,(H,19,21)(H2,18,24,25)(H,20,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of CDK2/Cyclin A (174 to 432 amino acid residues) (unknown origin) by differential scanning fluorimetry assay				J Med Chem 56: 660-70 (2013) Article DOI: 10.1021/jm301495v BindingDB Entry DOI: 10.7270/Q28G8N18
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM81433 (CDK Inhibitor, 6) Show SMILES CNc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)S(C)(=O)=O)n1 Show InChI InChI=1S/C16H17N5O2S2/c1-10-14(24-16(17-2)19-10)13-7-8-18-15(21-13)20-11-5-4-6-12(9-11)25(3,22)23/h4-9H,1-3H3,(H,17,19)(H,18,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	0.290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cyclacel Limited					Assay Description Kinase assay using cyclin-dependant kinases (CDK).				Chem Biol 17: 1111-21 (2010) Article DOI: 10.1016/j.chembiol.2010.07.016 BindingDB Entry DOI: 10.7270/Q2BV7F3Q
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM81441 (CDK Inhibitor, 14) Show SMILES Cc1c(sc(=O)n1C)-c1ccnc(Nc2ccc(cc2)N2CCNCC2)n1 Show InChI InChI=1S/C19H22N6OS/c1-13-17(27-19(26)24(13)2)16-7-8-21-18(23-16)22-14-3-5-15(6-4-14)25-11-9-20-10-12-25/h3-8,20H,9-12H2,1-2H3,(H,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	0.380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cyclacel Limited					Assay Description Kinase assay using cyclin-dependant kinases (CDK).				Chem Biol 17: 1111-21 (2010) Article DOI: 10.1016/j.chembiol.2010.07.016 BindingDB Entry DOI: 10.7270/Q2BV7F3Q
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM7840 (RIVAROXABAN | US8822458, 44 | US8822458, 97) Show SMILES Clc1ccc(s1)C(=O)NC[C@H]1CN(C(=O)O1)c1ccc(cc1)N1CCOCC1=O |r| Show InChI InChI=1S/C19H18ClN3O5S/c20-16-6-5-15(29-16)18(25)21-9-14-10-23(19(26)28-14)13-3-1-12(2-4-13)22-7-8-27-11-17(22)24/h1-6,14H,7-11H2,(H,21,25)/t14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of human factor 10a using pefachrome F10a as substrate preincubated for 10 mins followed by substrate addition and measured for 20 mins				J Med Chem 61: 3799-3822 (2018) Article DOI: 10.1021/acs.jmedchem.7b00772 BindingDB Entry DOI: 10.7270/Q2C2502H
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aurora kinase A (Homo sapiens (Human))	BDBM50319623 (4-(2,4-Dimethylthiazol-5-yl)-N-(3,4,5-trimethoxyph...) Show SMILES COc1cc(Nc2nccc(n2)-c2sc(C)nc2C)cc(OC)c1OC Show InChI InChI=1S/C18H20N4O3S/c1-10-17(26-11(2)20-10)13-6-7-19-18(22-13)21-12-8-14(23-3)16(25-5)15(9-12)24-4/h6-9H,1-5H3,(H,19,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cyclacel Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant Aurora A after 30 mins				J Med Chem 53: 4367-78 (2010) Article DOI: 10.1021/jm901913s BindingDB Entry DOI: 10.7270/Q2930T9D
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50458534 (CHEMBL4216226) Show SMILES Oc1cc(=O)[nH]c2ccc(cc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1cc(=O)[nH]c2ccc(Cl)cc12 |r| Show InChI InChI=1S/C29H23ClN4O5/c30-19-7-9-22-20(13-19)18(12-26(36)32-22)15-31-29(39)24(10-16-4-2-1-3-5-16)34-28(38)17-6-8-23-21(11-17)25(35)14-27(37)33-23/h1-9,11-14,24H,10,15H2,(H,31,39)(H,32,36)(H,34,38)(H2,33,35,37)/t24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of human factor 11a using pyroGlu-Pro-Arg-pNA.HCl as substrate				J Med Chem 61: 3799-3822 (2018) Article DOI: 10.1021/acs.jmedchem.7b00772 BindingDB Entry DOI: 10.7270/Q2C2502H
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1 (Homo sapiens (Human))	BDBM50431339 (CHEMBL2348843) Show SMILES CNc1nc(c(s1)-c1ccnc(Nc2ccc(cc2)S(N)(=O)=O)n1)C(F)(F)F Show InChI InChI=1S/C15H13F3N6O2S2/c1-20-14-24-12(15(16,17)18)11(27-14)10-6-7-21-13(23-10)22-8-2-4-9(5-3-8)28(19,25)26/h2-7H,1H3,(H,20,24)(H2,19,25,26)(H,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of human recombinant His6 tagged CDK1/Cyclin B expressed in Sf21 insect cells after 40 mins by scintillation counting analysis				J Med Chem 56: 640-59 (2013) Article DOI: 10.1021/jm301475f BindingDB Entry DOI: 10.7270/Q26D5VBB
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM81439 (CDK Inhibitor, 12) Show SMILES Cc1c(sc(=O)n1C)-c1ccnc(Nc2cccc(c2)C#N)n1 Show InChI InChI=1S/C16H13N5OS/c1-10-14(23-16(22)21(10)2)13-6-7-18-15(20-13)19-12-5-3-4-11(8-12)9-17/h3-8H,1-2H3,(H,18,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.520	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cyclacel Limited					Assay Description Kinase assay using cyclin-dependant kinases (CDK).				Chem Biol 17: 1111-21 (2010) Article DOI: 10.1016/j.chembiol.2010.07.016 BindingDB Entry DOI: 10.7270/Q2BV7F3Q
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 7 (Homo sapiens (Human))	BDBM81440 (CDK Inhibitor, 13) Show SMILES Cc1c(sc(=O)n1C)-c1ccnc(Nc2ccc(C)c(c2)N(=O)=O)n1 Show InChI InChI=1S/C16H15N5O3S/c1-9-4-5-11(8-13(9)21(23)24)18-15-17-7-6-12(19-15)14-10(2)20(3)16(22)25-14/h4-8H,1-3H3,(H,17,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	0.560	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cyclacel Limited					Assay Description Kinase assay using cyclin-dependant kinases (CDK).				Chem Biol 17: 1111-21 (2010) Article DOI: 10.1016/j.chembiol.2010.07.016 BindingDB Entry DOI: 10.7270/Q2BV7F3Q
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM81430 (CDK Inhibitor, 3) Show SMILES CNc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1 Show InChI InChI=1S/C15H16N6O2S2/c1-9-13(24-15(17-2)19-9)12-6-7-18-14(21-12)20-10-4-3-5-11(8-10)25(16,22)23/h3-8H,1-2H3,(H,17,19)(H2,16,22,23)(H,18,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cyclacel Limited					Assay Description Kinase assay using cyclin-dependant kinases (CDK).				Chem Biol 17: 1111-21 (2010) Article DOI: 10.1016/j.chembiol.2010.07.016 BindingDB Entry DOI: 10.7270/Q2BV7F3Q
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM81434 (CDK Inhibitor, 7) Show SMILES CCNc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)S(C)(=O)=O)n1 Show InChI InChI=1S/C17H19N5O2S2/c1-4-18-17-20-11(2)15(25-17)14-8-9-19-16(22-14)21-12-6-5-7-13(10-12)26(3,23)24/h5-10H,4H2,1-3H3,(H,18,20)(H,19,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.960	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cyclacel Limited					Assay Description Kinase assay using cyclin-dependant kinases (CDK).				Chem Biol 17: 1111-21 (2010) Article DOI: 10.1016/j.chembiol.2010.07.016 BindingDB Entry DOI: 10.7270/Q2BV7F3Q
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50319622 (CHEMBL1083152 | N,4-Dimethyl-5-(2-(3,4,5-trimethox...) Show SMILES CNc1nc(C)c(s1)-c1ccnc(Nc2cc(OC)c(OC)c(OC)c2)n1 Show InChI InChI=1S/C18H21N5O3S/c1-10-16(27-18(19-2)21-10)12-6-7-20-17(23-12)22-11-8-13(24-3)15(26-5)14(9-11)25-4/h6-9H,1-5H3,(H,19,21)(H,20,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cyclacel Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant Aurora A after 30 mins				J Med Chem 53: 4367-78 (2010) Article DOI: 10.1021/jm901913s BindingDB Entry DOI: 10.7270/Q2930T9D
					More data for this Ligand-Target Pair
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50431338 (CHEMBL2348844) Show SMILES CNc1ncc(s1)-c1ccnc(Nc2ccc(cc2)S(N)(=O)=O)n1 Show InChI InChI=1S/C14H14N6O2S2/c1-16-14-18-8-12(23-14)11-6-7-17-13(20-11)19-9-2-4-10(5-3-9)24(15,21)22/h2-8H,1H3,(H,16,18)(H2,15,21,22)(H,17,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of human recombinant His6 tagged CDK2/Cyclin A expressed in Sf21 insect cells after 40 mins by scintillation counting analysis				J Med Chem 56: 640-59 (2013) Article DOI: 10.1021/jm301475f BindingDB Entry DOI: 10.7270/Q26D5VBB
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM8061 (2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 32 | 4...) Show SMILES Cc1nc(N)sc1-c1ccnc(Nc2cccc(c2)N(=O)=O)n1 Show InChI InChI=1S/C14H12N6O2S/c1-8-12(23-13(15)17-8)11-5-6-16-14(19-11)18-9-3-2-4-10(7-9)20(21)22/h2-7H,1H3,(H2,15,17)(H,16,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cyclacel Limited					Assay Description Kinase assay using cyclin-dependant kinases (CDK).				Chem Biol 17: 1111-21 (2010) Article DOI: 10.1016/j.chembiol.2010.07.016 BindingDB Entry DOI: 10.7270/Q2BV7F3Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50425011 (CHEMBL2312182) Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)[N+]([O-])=O)ncc1C#N Show InChI InChI=1S/C16H13N7O2S/c1-9-14(26-16(18-2)20-9)13-10(7-17)8-19-15(22-13)21-11-4-3-5-12(6-11)23(24)25/h3-6,8H,1-2H3,(H,18,20)(H,19,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of human recombinant His6 tagged CDK2/Cyclin A expressed in Sf21 insect cells after 40 mins by scintillation counting analysis				J Med Chem 56: 640-59 (2013) Article DOI: 10.1021/jm301475f BindingDB Entry DOI: 10.7270/Q26D5VBB
					More data for this Ligand-Target Pair
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50425011 (CHEMBL2312182) Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)[N+]([O-])=O)ncc1C#N Show InChI InChI=1S/C16H13N7O2S/c1-9-14(26-16(18-2)20-9)13-10(7-17)8-19-15(22-13)21-11-4-3-5-12(6-11)23(24)25/h3-6,8H,1-2H3,(H,18,20)(H,19,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of CDK2/Cyclin A (174 to 432 amino acid residues) (unknown origin) by differential scanning fluorimetry assay				J Med Chem 56: 660-70 (2013) Article DOI: 10.1021/jm301495v BindingDB Entry DOI: 10.7270/Q28G8N18
					More data for this Ligand-Target Pair
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1 (Homo sapiens (Human))	BDBM50431338 (CHEMBL2348844) Show SMILES CNc1ncc(s1)-c1ccnc(Nc2ccc(cc2)S(N)(=O)=O)n1 Show InChI InChI=1S/C14H14N6O2S2/c1-16-14-18-8-12(23-14)11-6-7-17-13(20-11)19-9-2-4-10(5-3-9)24(15,21)22/h2-8H,1H3,(H,16,18)(H2,15,21,22)(H,17,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of human recombinant His6 tagged CDK1/Cyclin B expressed in Sf21 insect cells after 40 mins by scintillation counting analysis				J Med Chem 56: 640-59 (2013) Article DOI: 10.1021/jm301475f BindingDB Entry DOI: 10.7270/Q26D5VBB
					More data for this Ligand-Target Pair
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1 (Homo sapiens (Human))	BDBM50431340 (CHEMBL2348842) Show SMILES CNc1nc(c(s1)-c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1)C(F)(F)F Show InChI InChI=1S/C15H13F3N6O2S2/c1-20-14-24-12(15(16,17)18)11(27-14)10-5-6-21-13(23-10)22-8-3-2-4-9(7-8)28(19,25)26/h2-7H,1H3,(H,20,24)(H2,19,25,26)(H,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of human recombinant His6 tagged CDK1/Cyclin B expressed in Sf21 insect cells after 40 mins by scintillation counting analysis				J Med Chem 56: 640-59 (2013) Article DOI: 10.1021/jm301475f BindingDB Entry DOI: 10.7270/Q26D5VBB
					More data for this Ligand-Target Pair
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50431339 (CHEMBL2348843) Show SMILES CNc1nc(c(s1)-c1ccnc(Nc2ccc(cc2)S(N)(=O)=O)n1)C(F)(F)F Show InChI InChI=1S/C15H13F3N6O2S2/c1-20-14-24-12(15(16,17)18)11(27-14)10-6-7-21-13(23-10)22-8-2-4-9(5-3-8)28(19,25)26/h2-7H,1H3,(H,20,24)(H2,19,25,26)(H,21,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of human recombinant His6 tagged CDK2/Cyclin A expressed in Sf21 insect cells after 40 mins by scintillation counting analysis				J Med Chem 56: 640-59 (2013) Article DOI: 10.1021/jm301475f BindingDB Entry DOI: 10.7270/Q26D5VBB
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM81433 (CDK Inhibitor, 6) Show SMILES CNc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)S(C)(=O)=O)n1 Show InChI InChI=1S/C16H17N5O2S2/c1-10-14(24-16(17-2)19-10)13-7-8-18-15(21-13)20-11-5-4-6-12(9-11)25(3,22)23/h4-9H,1-3H3,(H,17,19)(H,18,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cyclacel Limited					Assay Description Kinase assay using cyclin-dependant kinases (CDK).				Chem Biol 17: 1111-21 (2010) Article DOI: 10.1016/j.chembiol.2010.07.016 BindingDB Entry DOI: 10.7270/Q2BV7F3Q
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM81439 (CDK Inhibitor, 12) Show SMILES Cc1c(sc(=O)n1C)-c1ccnc(Nc2cccc(c2)C#N)n1 Show InChI InChI=1S/C16H13N5OS/c1-10-14(23-16(22)21(10)2)13-6-7-18-15(20-13)19-12-5-3-4-11(8-12)9-17/h3-8H,1-2H3,(H,18,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cyclacel Limited					Assay Description Kinase assay using cyclin-dependant kinases (CDK).				Chem Biol 17: 1111-21 (2010) Article DOI: 10.1016/j.chembiol.2010.07.016 BindingDB Entry DOI: 10.7270/Q2BV7F3Q
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM8061 (2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 32 | 4...) Show SMILES Cc1nc(N)sc1-c1ccnc(Nc2cccc(c2)N(=O)=O)n1 Show InChI InChI=1S/C14H12N6O2S/c1-8-12(23-13(15)17-8)11-5-6-16-14(19-11)18-9-3-2-4-10(7-9)20(21)22/h2-7H,1H3,(H2,15,17)(H,16,18,19)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	2	-50.5	n/a	n/a	n/a	n/a	n/a	n/a	30
Cyclacel Limited					Assay Description In vitro kinase assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of 100 uM ATP/ [gamma-32P...				J Med Chem 47: 1662-75 (2004) Article DOI: 10.1021/jm0309957 BindingDB Entry DOI: 10.7270/Q2H993DD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50423753 (CHEMBL601064) Show SMILES Cc1nc2CCc3cnc(Nc4cccc(c4)[N+]([O-])=O)nc3-c2s1 Show InChI InChI=1S/C16H13N5O2S/c1-9-18-13-6-5-10-8-17-16(20-14(10)15(13)24-9)19-11-3-2-4-12(7-11)21(22)23/h2-4,7-8H,5-6H2,1H3,(H,17,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of St. Andrews Curated by ChEMBL					Assay Description inhibition of CDK9/CyclinT1				J Med Chem 53: 2136-45 (2010) Article DOI: 10.1021/jm901660c BindingDB Entry DOI: 10.7270/Q2377B0R
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM81430 (CDK Inhibitor, 3) Show SMILES CNc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1 Show InChI InChI=1S/C15H16N6O2S2/c1-9-13(24-15(17-2)19-9)12-6-7-18-14(21-12)20-10-4-3-5-11(8-10)25(16,22)23/h3-8H,1-2H3,(H,17,19)(H2,16,22,23)(H,18,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of human recombinant His6 tagged CDK9/CyclinT1 expressed in Sf21 insect cells after 40 mins by scintillation counting analysis				J Med Chem 56: 640-59 (2013) Article DOI: 10.1021/jm301475f BindingDB Entry DOI: 10.7270/Q26D5VBB
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50431340 (CHEMBL2348842) Show SMILES CNc1nc(c(s1)-c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1)C(F)(F)F Show InChI InChI=1S/C15H13F3N6O2S2/c1-20-14-24-12(15(16,17)18)11(27-14)10-5-6-21-13(23-10)22-8-3-2-4-9(7-8)28(19,25)26/h2-7H,1H3,(H,20,24)(H2,19,25,26)(H,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of human recombinant His6 tagged CDK9/CyclinT1 expressed in Sf21 insect cells after 40 mins by scintillation counting analysis				J Med Chem 56: 640-59 (2013) Article DOI: 10.1021/jm301475f BindingDB Entry DOI: 10.7270/Q26D5VBB
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50431363 (CHEMBL46429) Show SMILES CNc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)[N+]([O-])=O)n1 Show InChI InChI=1S/C15H14N6O2S/c1-9-13(24-15(16-2)18-9)12-6-7-17-14(20-12)19-10-4-3-5-11(8-10)21(22)23/h3-8H,1-2H3,(H,16,18)(H,17,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of human recombinant His6 tagged CDK9/CyclinT1 expressed in Sf21 insect cells after 40 mins by scintillation counting analysis				J Med Chem 56: 640-59 (2013) Article DOI: 10.1021/jm301475f BindingDB Entry DOI: 10.7270/Q26D5VBB
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50319623 (4-(2,4-Dimethylthiazol-5-yl)-N-(3,4,5-trimethoxyph...) Show SMILES COc1cc(Nc2nccc(n2)-c2sc(C)nc2C)cc(OC)c1OC Show InChI InChI=1S/C18H20N4O3S/c1-10-17(26-11(2)20-10)13-6-7-19-18(22-13)21-12-8-14(23-3)16(25-5)15(9-12)24-4/h6-9H,1-5H3,(H,19,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cyclacel Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant Aurora B after 60 mins				J Med Chem 53: 4367-78 (2010) Article DOI: 10.1021/jm901913s BindingDB Entry DOI: 10.7270/Q2930T9D
					More data for this Ligand-Target Pair
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50431336 (CHEMBL2348846) Show SMILES CNc1nc(C2CC2)c(s1)-c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1 Show InChI InChI=1S/C17H18N6O2S2/c1-19-17-23-14(10-5-6-10)15(26-17)13-7-8-20-16(22-13)21-11-3-2-4-12(9-11)27(18,24)25/h2-4,7-10H,5-6H2,1H3,(H,19,23)(H2,18,24,25)(H,20,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of human recombinant His6 tagged CDK2/Cyclin A expressed in Sf21 insect cells after 40 mins by scintillation counting analysis				J Med Chem 56: 640-59 (2013) Article DOI: 10.1021/jm301475f BindingDB Entry DOI: 10.7270/Q26D5VBB
					More data for this Ligand-Target Pair
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1 (Homo sapiens (Human))	BDBM50431335 (CHEMBL2348847) Show SMILES CNc1nc(C2CC2)c(s1)-c1ccnc(Nc2ccc(cc2)S(N)(=O)=O)n1 Show InChI InChI=1S/C17H18N6O2S2/c1-19-17-23-14(10-2-3-10)15(26-17)13-8-9-20-16(22-13)21-11-4-6-12(7-5-11)27(18,24)25/h4-10H,2-3H2,1H3,(H,19,23)(H2,18,24,25)(H,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of human recombinant His6 tagged CDK1/Cyclin B expressed in Sf21 insect cells after 40 mins by scintillation counting analysis				J Med Chem 56: 640-59 (2013) Article DOI: 10.1021/jm301475f BindingDB Entry DOI: 10.7270/Q26D5VBB
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50229973 ((4-(2-Amino-4-methylthiazol-5-yl)pyrimidin-2-yl)-(...) Show SMILES Cc1nc(N)sc1-c1ccnc(Nc2cccc(c2)[N+]([O-])=O)n1 Show InChI InChI=1S/C14H12N6O2S/c1-8-12(23-13(15)17-8)11-5-6-16-14(19-11)18-9-3-2-4-10(7-9)20(21)22/h2-7H,1H3,(H2,15,17)(H,16,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cyclacel Ltd. Curated by ChEMBL					Assay Description Inhibition of CDK2				J Med Chem 53: 4367-78 (2010) Article DOI: 10.1021/jm901913s BindingDB Entry DOI: 10.7270/Q2930T9D
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50431340 (CHEMBL2348842) Show SMILES CNc1nc(c(s1)-c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1)C(F)(F)F Show InChI InChI=1S/C15H13F3N6O2S2/c1-20-14-24-12(15(16,17)18)11(27-14)10-5-6-21-13(23-10)22-8-3-2-4-9(7-8)28(19,25)26/h2-7H,1H3,(H,20,24)(H2,19,25,26)(H,21,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of human recombinant His6 tagged CDK2/Cyclin A expressed in Sf21 insect cells after 40 mins by scintillation counting analysis				J Med Chem 56: 640-59 (2013) Article DOI: 10.1021/jm301475f BindingDB Entry DOI: 10.7270/Q26D5VBB
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50150293 ((S)-1-((R)-2-Hydroxy-3,3-dimethyl-butyryl)-pyrroli...) Show SMILES CC(C)(C)[C@@H](O)C(=O)N1CCC[C@H]1C(=O)NCc1cc(Cl)ccc1CN Show InChI InChI=1S/C19H28ClN3O3/c1-19(2,3)16(24)18(26)23-8-4-5-15(23)17(25)22-11-13-9-14(20)7-6-12(13)10-21/h6-7,9,15-16,24H,4-5,8,10-11,21H2,1-3H3,(H,22,25)/t15-,16-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of human thrombin using spectrozyme PL as substrate				J Med Chem 61: 3799-3822 (2018) Article DOI: 10.1021/acs.jmedchem.7b00772 BindingDB Entry DOI: 10.7270/Q2C2502H
					More data for this Ligand-Target Pair
Plasminogen (Homo sapiens (Human))	BDBM50462133 (CHEMBL4238882) Show SMILES NCc1cccc(C[C@H](NC(=O)[C@@H](CCCc2ccccc2)NS(=O)(=O)Cc2cccc(c2)C(O)=O)C(=O)Cc2ccc(cc2)C(N)=N)c1 |r| Show InChI InChI=1S/C37H41N5O6S/c38-23-28-11-4-10-27(19-28)21-33(34(43)22-26-15-17-30(18-16-26)35(39)40)41-36(44)32(14-6-9-25-7-2-1-3-8-25)42-49(47,48)24-29-12-5-13-31(20-29)37(45)46/h1-5,7-8,10-13,15-20,32-33,42H,6,9,14,21-24,38H2,(H3,39,40)(H,41,44)(H,45,46)/t32-,33+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Competitive inhibition of human plasmin using chromozyme PL as substrate by UV-visible spectrophotometer				J Med Chem 61: 3799-3822 (2018) Article DOI: 10.1021/acs.jmedchem.7b00772 BindingDB Entry DOI: 10.7270/Q2C2502H
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 7 (Homo sapiens (Human))	BDBM81441 (CDK Inhibitor, 14) Show SMILES Cc1c(sc(=O)n1C)-c1ccnc(Nc2ccc(cc2)N2CCNCC2)n1 Show InChI InChI=1S/C19H22N6OS/c1-13-17(27-19(26)24(13)2)16-7-8-21-18(23-16)22-14-3-5-15(6-4-14)25-11-9-20-10-12-25/h3-8,20H,9-12H2,1-2H3,(H,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cyclacel Limited					Assay Description Kinase assay using cyclin-dependant kinases (CDK).				Chem Biol 17: 1111-21 (2010) Article DOI: 10.1016/j.chembiol.2010.07.016 BindingDB Entry DOI: 10.7270/Q2BV7F3Q
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM81430 (CDK Inhibitor, 3) Show SMILES CNc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1 Show InChI InChI=1S/C15H16N6O2S2/c1-9-13(24-15(17-2)19-9)12-6-7-18-14(21-12)20-10-4-3-5-11(8-10)25(16,22)23/h3-8H,1-2H3,(H,17,19)(H2,16,22,23)(H,18,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cyclacel Limited					Assay Description Kinase assay using cyclin-dependant kinases (CDK).				Chem Biol 17: 1111-21 (2010) Article DOI: 10.1016/j.chembiol.2010.07.016 BindingDB Entry DOI: 10.7270/Q2BV7F3Q
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50423754 (CHEMBL598992) Show SMILES Nc1nc2CCc3cnc(Nc4cccc(c4)[N+]([O-])=O)nc3-c2s1 Show InChI InChI=1S/C15H12N6O2S/c16-14-19-11-5-4-8-7-17-15(20-12(8)13(11)24-14)18-9-2-1-3-10(6-9)21(22)23/h1-3,6-7H,4-5H2,(H2,16,19)(H,17,18,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of St. Andrews Curated by ChEMBL					Assay Description inhibition of CDK9/CyclinT1				J Med Chem 53: 2136-45 (2010) Article DOI: 10.1021/jm901660c BindingDB Entry DOI: 10.7270/Q2377B0R
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50431337 (CHEMBL2348845) Show SMILES CNc1ncc(s1)-c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1 Show InChI InChI=1S/C14H14N6O2S2/c1-16-14-18-8-12(23-14)11-5-6-17-13(20-11)19-9-3-2-4-10(7-9)24(15,21)22/h2-8H,1H3,(H,16,18)(H2,15,21,22)(H,17,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of human recombinant His6 tagged CDK9/CyclinT1 expressed in Sf21 insect cells after 40 mins by scintillation counting analysis				J Med Chem 56: 640-59 (2013) Article DOI: 10.1021/jm301475f BindingDB Entry DOI: 10.7270/Q26D5VBB
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50147828 ((S)-1-((R)-2-Amino-3,3-diphenyl-propionyl)-pyrroli...) Show SMILES N[C@H](C(c1ccccc1)c1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCc1cc(Cl)ccc1Cl Show InChI InChI=1S/C27H27Cl2N3O2/c28-21-13-14-22(29)20(16-21)17-31-26(33)23-12-7-15-32(23)27(34)25(30)24(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-6,8-11,13-14,16,23-25H,7,12,15,17,30H2,(H,31,33)/t23-,25+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of thrombin (unknown origin)				J Med Chem 61: 3799-3822 (2018) Article DOI: 10.1021/acs.jmedchem.7b00772 BindingDB Entry DOI: 10.7270/Q2C2502H
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aurora kinase B (Homo sapiens (Human))	BDBM50319622 (CHEMBL1083152 | N,4-Dimethyl-5-(2-(3,4,5-trimethox...) Show SMILES CNc1nc(C)c(s1)-c1ccnc(Nc2cc(OC)c(OC)c(OC)c2)n1 Show InChI InChI=1S/C18H21N5O3S/c1-10-16(27-18(19-2)21-10)12-6-7-20-17(23-12)22-11-8-13(24-3)15(26-5)14(9-11)25-4/h6-9H,1-5H3,(H,19,21)(H,20,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cyclacel Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant Aurora B after 60 mins				J Med Chem 53: 4367-78 (2010) Article DOI: 10.1021/jm901913s BindingDB Entry DOI: 10.7270/Q2930T9D
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM81440 (CDK Inhibitor, 13) Show SMILES Cc1c(sc(=O)n1C)-c1ccnc(Nc2ccc(C)c(c2)N(=O)=O)n1 Show InChI InChI=1S/C16H15N5O3S/c1-9-4-5-11(8-13(9)21(23)24)18-15-17-7-6-12(19-15)14-10(2)20(3)16(22)25-14/h4-8H,1-3H3,(H,17,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cyclacel Limited					Assay Description Kinase assay using cyclin-dependant kinases (CDK).				Chem Biol 17: 1111-21 (2010) Article DOI: 10.1016/j.chembiol.2010.07.016 BindingDB Entry DOI: 10.7270/Q2BV7F3Q
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM5655 (2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydr...) Show SMILES CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r| Show InChI InChI=1S/C21H20ClNO5/c1-23-7-6-12(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,17,24-25,27H,6-7,10H2,1H3/t12-,17+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of CDK9/Cyclin T (1 to 330 amino acid residues) (unknown origin) by differential scanning fluorimetry assay				J Med Chem 56: 660-70 (2013) Article DOI: 10.1021/jm301495v BindingDB Entry DOI: 10.7270/Q28G8N18
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50431339 (CHEMBL2348843) Show SMILES CNc1nc(c(s1)-c1ccnc(Nc2ccc(cc2)S(N)(=O)=O)n1)C(F)(F)F Show InChI InChI=1S/C15H13F3N6O2S2/c1-20-14-24-12(15(16,17)18)11(27-14)10-6-7-21-13(23-10)22-8-2-4-9(5-3-8)28(19,25)26/h2-7H,1H3,(H,20,24)(H2,19,25,26)(H,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of human recombinant His6 tagged CDK9/CyclinT1 expressed in Sf21 insect cells after 40 mins by scintillation counting analysis				J Med Chem 56: 640-59 (2013) Article DOI: 10.1021/jm301475f BindingDB Entry DOI: 10.7270/Q26D5VBB
					More data for this Ligand-Target Pair
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50431363 (CHEMBL46429) Show SMILES CNc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)[N+]([O-])=O)n1 Show InChI InChI=1S/C15H14N6O2S/c1-9-13(24-15(16-2)18-9)12-6-7-17-14(20-12)19-10-4-3-5-11(8-10)21(22)23/h3-8H,1-2H3,(H,16,18)(H,17,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of human recombinant His6 tagged CDK2/Cyclin A expressed in Sf21 insect cells after 40 mins by scintillation counting analysis				J Med Chem 56: 640-59 (2013) Article DOI: 10.1021/jm301475f BindingDB Entry DOI: 10.7270/Q26D5VBB
					More data for this Ligand-Target Pair
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50431360 (CHEMBL2347597) Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)S(N)(=O)=O)ncc1F Show InChI InChI=1S/C15H15FN6O2S2/c1-8-13(25-15(18-2)20-8)12-11(16)7-19-14(22-12)21-9-4-3-5-10(6-9)26(17,23)24/h3-7H,1-2H3,(H,18,20)(H2,17,23,24)(H,19,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of human recombinant His6 tagged CDK2/Cyclin A expressed in Sf21 insect cells after 40 mins by scintillation counting analysis				J Med Chem 56: 640-59 (2013) Article DOI: 10.1021/jm301475f BindingDB Entry DOI: 10.7270/Q26D5VBB
					More data for this Ligand-Target Pair
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50425003 (CHEMBL2312190) Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2ccc(O)cc2)ncc1C#N Show InChI InChI=1S/C16H14N6OS/c1-9-14(24-16(18-2)20-9)13-10(7-17)8-19-15(22-13)21-11-3-5-12(23)6-4-11/h3-6,8,23H,1-2H3,(H,18,20)(H,19,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of CDK2/Cyclin A (174 to 432 amino acid residues) (unknown origin) by differential scanning fluorimetry assay				J Med Chem 56: 660-70 (2013) Article DOI: 10.1021/jm301495v BindingDB Entry DOI: 10.7270/Q28G8N18
					More data for this Ligand-Target Pair
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50425007 (CHEMBL2312186) Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2ccc(cc2)S(=O)(=O)N2CCOCC2)ncc1C#N Show InChI InChI=1S/C20H21N7O3S2/c1-13-18(31-20(22-2)24-13)17-14(11-21)12-23-19(26-17)25-15-3-5-16(6-4-15)32(28,29)27-7-9-30-10-8-27/h3-6,12H,7-10H2,1-2H3,(H,22,24)(H,23,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of CDK2/Cyclin A (174 to 432 amino acid residues) (unknown origin) by differential scanning fluorimetry assay				J Med Chem 56: 660-70 (2013) Article DOI: 10.1021/jm301495v BindingDB Entry DOI: 10.7270/Q28G8N18
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50443449 (CHEMBL3087442) Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)S(=O)(=O)NCCOC)ncc1F Show InChI InChI=1S/C18H21FN6O3S2/c1-11-16(29-18(20-2)23-11)15-14(19)10-21-17(25-15)24-12-5-4-6-13(9-12)30(26,27)22-7-8-28-3/h4-6,9-10,22H,7-8H2,1-3H3,(H,20,23)(H,21,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of CDK9/Cyclin T1 (unknown origin) by radiometric assay				Eur J Med Chem 70: 447-55 (2013) Article DOI: 10.1016/j.ejmech.2013.08.052 BindingDB Entry DOI: 10.7270/Q24J0GKS
					More data for this Ligand-Target Pair

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