Compile Data Set for Download or QSAR

Found 1601 hits with Last Name = 'tavares' and Initial = 'fx'   

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
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM8143 (N-[3-bromo-5-(trifluoromethyl)phenyl]-4-{pyrazolo[...) Show SMILES FC(F)(F)c1cc(Br)cc(Nc2nccc(n2)-c2cnn3ncccc23)c1 Show InChI InChI=1S/C17H10BrF3N6/c18-11-6-10(17(19,20)21)7-12(8-11)25-16-22-5-3-14(26-16)13-9-24-27-15(13)2-1-4-23-27/h1-9H,(H,22,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.300	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description The biochemical activity of compounds was determined by incubation with specific enzyme and substrate in the presence 2.5 uM ATP/ [gamma-32P] ATP. Af...				J Med Chem 47: 4716-30 (2004) Article DOI: 10.1021/jm040063i BindingDB Entry DOI: 10.7270/Q2VM49HJ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM8146 (N-(3,5-dimethylphenyl)-4-{pyrazolo[1,5-a]pyridazin...) Show SMILES Cc1cc(C)cc(Nc2nccc(n2)-c2cnn3ncccc23)c1 Show InChI InChI=1S/C18H16N6/c1-12-8-13(2)10-14(9-12)22-18-19-7-5-16(23-18)15-11-21-24-17(15)4-3-6-20-24/h3-11H,1-2H3,(H,19,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	1	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description The biochemical activity of compounds was determined by incubation with specific enzyme and substrate in the presence 2.5 uM ATP/ [gamma-32P] ATP. Af...				J Med Chem 47: 4716-30 (2004) Article DOI: 10.1021/jm040063i BindingDB Entry DOI: 10.7270/Q2VM49HJ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM8145 (N-(3,5-dichlorophenyl)-4-{pyrazolo[1,5-a]pyridazin...) Show SMILES Clc1cc(Cl)cc(Nc2nccc(n2)-c2cnn3ncccc23)c1 Show InChI InChI=1S/C16H10Cl2N6/c17-10-6-11(18)8-12(7-10)22-16-19-5-3-14(23-16)13-9-21-24-15(13)2-1-4-20-24/h1-9H,(H,19,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	1	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description The biochemical activity of compounds was determined by incubation with specific enzyme and substrate in the presence 2.5 uM ATP/ [gamma-32P] ATP. Af...				J Med Chem 47: 4716-30 (2004) Article DOI: 10.1021/jm040063i BindingDB Entry DOI: 10.7270/Q2VM49HJ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM8136 (N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-{pyrazolo[1...) Show SMILES C1COc2cc(Nc3nccc(n3)-c3cnn4ncccc34)ccc2O1 Show InChI InChI=1S/C18H14N6O2/c1-2-15-13(11-21-24(15)20-6-1)14-5-7-19-18(23-14)22-12-3-4-16-17(10-12)26-9-8-25-16/h1-7,10-11H,8-9H2,(H,19,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	1	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description The biochemical activity of compounds was determined by incubation with specific enzyme and substrate in the presence 2.5 uM ATP/ [gamma-32P] ATP. Af...				J Med Chem 47: 4716-30 (2004) Article DOI: 10.1021/jm040063i BindingDB Entry DOI: 10.7270/Q2VM49HJ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM8138 (N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-{pyraz...) Show SMILES C1COc2ccc(Nc3nccc(n3)-c3cnn4ncccc34)cc2OC1 Show InChI InChI=1S/C19H16N6O2/c1-3-16-14(12-22-25(16)21-7-1)15-6-8-20-19(24-15)23-13-4-5-17-18(11-13)27-10-2-9-26-17/h1,3-8,11-12H,2,9-10H2,(H,20,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	1	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description The biochemical activity of compounds was determined by incubation with specific enzyme and substrate in the presence 2.5 uM ATP/ [gamma-32P] ATP. Af...				J Med Chem 47: 4716-30 (2004) Article DOI: 10.1021/jm040063i BindingDB Entry DOI: 10.7270/Q2VM49HJ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM8144 (N-(3,5-difluorophenyl)-4-{pyrazolo[1,5-a]pyridazin...) Show SMILES Fc1cc(F)cc(Nc2nccc(n2)-c2cnn3ncccc23)c1 Show InChI InChI=1S/C16H10F2N6/c17-10-6-11(18)8-12(7-10)22-16-19-5-3-14(23-16)13-9-21-24-15(13)2-1-4-20-24/h1-9H,(H,19,22,23)	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	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description The biochemical activity of compounds was determined by incubation with specific enzyme and substrate in the presence 2.5 uM ATP/ [gamma-32P] ATP. Af...				J Med Chem 47: 4716-30 (2004) Article DOI: 10.1021/jm040063i BindingDB Entry DOI: 10.7270/Q2VM49HJ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM8142 (N-[3-methoxy-5-(trifluoromethyl)phenyl]-4-{pyrazol...) Show SMILES COc1cc(Nc2nccc(n2)-c2cnn3ncccc23)cc(c1)C(F)(F)F Show InChI InChI=1S/C18H13F3N6O/c1-28-13-8-11(18(19,20)21)7-12(9-13)25-17-22-6-4-15(26-17)14-10-24-27-16(14)3-2-5-23-27/h2-10H,1H3,(H,22,25,26)	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	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description The biochemical activity of compounds was determined by incubation with specific enzyme and substrate in the presence 2.5 uM ATP/ [gamma-32P] ATP. Af...				J Med Chem 47: 4716-30 (2004) Article DOI: 10.1021/jm040063i BindingDB Entry DOI: 10.7270/Q2VM49HJ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM8171 (N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-{2-phenylpy...) Show SMILES C1COc2cc(Nc3nccc(n3)-c3c(nn4ncccc34)-c3ccccc3)ccc2O1 Show InChI InChI=1S/C24H18N6O2/c1-2-5-16(6-3-1)23-22(19-7-4-11-26-30(19)29-23)18-10-12-25-24(28-18)27-17-8-9-20-21(15-17)32-14-13-31-20/h1-12,15H,13-14H2,(H,25,27,28)	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	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description The biochemical activity of compounds was determined by incubation with specific enzyme and substrate in the presence 2.5 uM ATP/ [gamma-32P] ATP. Af...				J Med Chem 47: 4716-30 (2004) Article DOI: 10.1021/jm040063i BindingDB Entry DOI: 10.7270/Q2VM49HJ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM8135 (N-(2H-1,3-benzodioxol-5-yl)-4-{pyrazolo[1,5-a]pyri...) Show SMILES C1Oc2ccc(Nc3nccc(n3)-c3cnn4ncccc34)cc2O1 Show InChI InChI=1S/C17H12N6O2/c1-2-14-12(9-20-23(14)19-6-1)13-5-7-18-17(22-13)21-11-3-4-15-16(8-11)25-10-24-15/h1-9H,10H2,(H,18,21,22)	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	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description The biochemical activity of compounds was determined by incubation with specific enzyme and substrate in the presence 2.5 uM ATP/ [gamma-32P] ATP. Af...				J Med Chem 47: 4716-30 (2004) Article DOI: 10.1021/jm040063i BindingDB Entry DOI: 10.7270/Q2VM49HJ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM8130 (N-(4-nitrophenyl)-4-{pyrazolo[1,5-a]pyridazin-3-yl...) Show SMILES O=N(=O)c1ccc(Nc2nccc(n2)-c2cnn3ncccc23)cc1 Show InChI InChI=1S/C16H11N7O2/c24-23(25)12-5-3-11(4-6-12)20-16-17-9-7-14(21-16)13-10-19-22-15(13)2-1-8-18-22/h1-10H,(H,17,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description The biochemical activity of compounds was determined by incubation with specific enzyme and substrate in the presence 2.5 uM ATP/ [gamma-32P] ATP. Af...				J Med Chem 47: 4716-30 (2004) Article DOI: 10.1021/jm040063i BindingDB Entry DOI: 10.7270/Q2VM49HJ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM8129 (4-[(4-{pyrazolo[1,5-a]pyridazin-3-yl}pyrimidin-2-y...) Show SMILES N#Cc1ccc(Nc2nccc(n2)-c2cnn3ncccc23)cc1 Show InChI InChI=1S/C17H11N7/c18-10-12-3-5-13(6-4-12)22-17-19-9-7-15(23-17)14-11-21-24-16(14)2-1-8-20-24/h1-9,11H,(H,19,22,23)	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	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description The biochemical activity of compounds was determined by incubation with specific enzyme and substrate in the presence 2.5 uM ATP/ [gamma-32P] ATP. Af...				J Med Chem 47: 4716-30 (2004) Article DOI: 10.1021/jm040063i BindingDB Entry DOI: 10.7270/Q2VM49HJ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM8140 (N-[4-chloro-3-(trifluoromethyl)phenyl]-4-{pyrazolo...) Show SMILES FC(F)(F)c1cc(Nc2nccc(n2)-c2cnn3ncccc23)ccc1Cl Show InChI InChI=1S/C17H10ClF3N6/c18-13-4-3-10(8-12(13)17(19,20)21)25-16-22-7-5-14(26-16)11-9-24-27-15(11)2-1-6-23-27/h1-9H,(H,22,25,26)	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	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description The biochemical activity of compounds was determined by incubation with specific enzyme and substrate in the presence 2.5 uM ATP/ [gamma-32P] ATP. Af...				J Med Chem 47: 4716-30 (2004) Article DOI: 10.1021/jm040063i BindingDB Entry DOI: 10.7270/Q2VM49HJ
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50163831 ((2S)-1-cyclohexylpropan-2-yl 1-cyanoazetidine-2-ca...) Show SMILES C[C@@H](CC1CCCCC1)OC(=O)C1CCN1C#N Show InChI InChI=1S/C14H22N2O2/c1-11(9-12-5-3-2-4-6-12)18-14(17)13-7-8-16(13)10-15/h11-13H,2-9H2,1H3/t11-,13?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0480	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibitory concentration against human cathepsin K using 10 uM Cbz-Phe-Arg-AMC				Bioorg Med Chem Lett 15: 1815-9 (2005) Article DOI: 10.1016/j.bmcl.2005.02.033 BindingDB Entry DOI: 10.7270/Q2DR2V1G
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM19783 ((2S)-3,3-dimethyl-1-{3-[4-(trifluoromethyl)phenyl]...) Show SMILES CCCC[C@H](NC(=O)O[C@H](Cn1ccc(n1)-c1ccc(cc1)C(F)(F)F)C(C)(C)C)C(=O)C(=O)Nc1ccn[nH]1 |r| Show InChI InChI=1S/C27H33F3N6O4/c1-5-6-7-20(23(37)24(38)33-22-12-14-31-34-22)32-25(39)40-21(26(2,3)4)16-36-15-13-19(35-36)17-8-10-18(11-9-17)27(28,29)30/h8-15,20-21H,5-7,16H2,1-4H3,(H,32,39)(H2,31,33,34,38)/t20-,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0720	n/a	n/a	n/a	n/a	5.5	22
GSK					Assay Description Assays were carried out in the presence of variable concentrations of test compound. Reactions were initiated by addition of enzyme to buffered solut...				Bioorg Med Chem Lett 17: 22-7 (2007) Article DOI: 10.1016/j.bmcl.2006.10.102 BindingDB Entry DOI: 10.7270/Q2NZ85XC
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50148310 (((S)-1-Formyl-pentyl)-carbamic acid (S)-1-benzyl-p...) Show SMILES CCCC[C@H](NC(=O)O[C@@H](CC)Cc1ccccc1)C=O Show InChI InChI=1S/C17H25NO3/c1-3-5-11-15(13-19)18-17(20)21-16(4-2)12-14-9-7-6-8-10-14/h6-10,13,15-16H,3-5,11-12H2,1-2H3,(H,18,20)/t15-,16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.130	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibitory concentration against human cathepsin K using 10 uM Cbz-Phe-Arg-AMC				Bioorg Med Chem Lett 15: 1815-9 (2005) Article DOI: 10.1016/j.bmcl.2005.02.033 BindingDB Entry DOI: 10.7270/Q2DR2V1G
					More data for this Ligand-Target Pair				3D Structure (docked)
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM253965 (US9464092, EEE | US9527857, EEE) Show SMILES CC(C)(O)CN1CCN(CC1)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCC5)n4c3n2)nc1 Show InChI InChI=1S/C26H34N8O2/c1-25(2,36)17-32-9-11-33(12-10-32)19-5-6-21(27-15-19)30-24-28-14-18-13-20-23(35)29-16-26(7-3-4-8-26)34(20)22(18)31-24/h5-6,13-15,36H,3-4,7-12,16-17H2,1-2H3,(H,29,35)(H,27,28,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
GI Therapeutics, Inc. US Patent					Assay Description Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif.) to determ...				US Patent US9527857 (2016) BindingDB Entry DOI: 10.7270/Q2MK6B2C
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM253965 (US9464092, EEE | US9527857, EEE) Show SMILES CC(C)(O)CN1CCN(CC1)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCC5)n4c3n2)nc1 Show InChI InChI=1S/C26H34N8O2/c1-25(2,36)17-32-9-11-33(12-10-32)19-5-6-21(27-15-19)30-24-28-14-18-13-20-23(35)29-16-26(7-3-4-8-26)34(20)22(18)31-24/h5-6,13-15,36H,3-4,7-12,16-17H2,1-2H3,(H,29,35)(H,27,28,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
GI Therapeutics, Inc. US Patent					Assay Description Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif.) to determ...				US Patent US9527857 (2016) BindingDB Entry DOI: 10.7270/Q2CN72V8
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM19783 ((2S)-3,3-dimethyl-1-{3-[4-(trifluoromethyl)phenyl]...) Show SMILES CCCC[C@H](NC(=O)O[C@H](Cn1ccc(n1)-c1ccc(cc1)C(F)(F)F)C(C)(C)C)C(=O)C(=O)Nc1ccn[nH]1 |r| Show InChI InChI=1S/C27H33F3N6O4/c1-5-6-7-20(23(37)24(38)33-22-12-14-31-34-22)32-25(39)40-21(26(2,3)4)16-36-15-13-19(35-36)17-8-10-18(11-9-17)27(28,29)30/h8-15,20-21H,5-7,16H2,1-4H3,(H,32,39)(H2,31,33,34,38)/t20-,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.210	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description Assays were carried out in the presence of variable concentrations of test compound. Reactions were initiated by addition of enzyme to buffered solut...				Bioorg Med Chem Lett 17: 22-7 (2007) Article DOI: 10.1016/j.bmcl.2006.10.102 BindingDB Entry DOI: 10.7270/Q2NZ85XC
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50138858 (CHEMBL154579 | [(S)-1-(4-Phenyl-1H-pyrazol-3-ylami...) Show SMILES CCCC[C@H](NC(=O)OC(C(C)C)C(C)C)C(=O)C(=O)Nc1[nH]ncc1-c1ccccc1 Show InChI InChI=1S/C24H34N4O4/c1-6-7-13-19(26-24(31)32-21(15(2)3)16(4)5)20(29)23(30)27-22-18(14-25-28-22)17-11-9-8-10-12-17/h8-12,14-16,19,21H,6-7,13H2,1-5H3,(H,26,31)(H2,25,27,28,30)/t19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.210	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Concentration required to inhibit 50% of cysteine protease cathepsin K of human				J Med Chem 47: 588-99 (2004) Article DOI: 10.1021/jm030373l BindingDB Entry DOI: 10.7270/Q29S1QF7
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50138853 (CHEMBL157072 | [(S)-1-(4-Bromo-1H-pyrazol-3-ylamin...) Show SMILES CCCC[C@H](NC(=O)OC(C(C)C)C(C)C)C(=O)C(=O)Nc1[nH]ncc1Br Show InChI InChI=1S/C18H29BrN4O4/c1-6-7-8-13(21-18(26)27-15(10(2)3)11(4)5)14(24)17(25)22-16-12(19)9-20-23-16/h9-11,13,15H,6-8H2,1-5H3,(H,21,26)(H2,20,22,23,25)/t13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.240	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Concentration required to inhibit 50% of cysteine protease cathepsin K of human				J Med Chem 47: 588-99 (2004) Article DOI: 10.1021/jm030373l BindingDB Entry DOI: 10.7270/Q29S1QF7
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50138876 (CHEMBL345569 | [(S)-1-(4-Fluoro-1H-indazol-3-ylami...) Show SMILES CCCC[C@H](NC(=O)OC(C(C)C)C(C)C)C(=O)C(=O)Nc1[nH]nc2cccc(F)c12 Show InChI InChI=1S/C22H31FN4O4/c1-6-7-10-16(24-22(30)31-19(12(2)3)13(4)5)18(28)21(29)25-20-17-14(23)9-8-11-15(17)26-27-20/h8-9,11-13,16,19H,6-7,10H2,1-5H3,(H,24,30)(H2,25,26,27,29)/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.260	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Concentration required to inhibit 50% of cysteine protease cathepsin K of human				J Med Chem 47: 588-99 (2004) Article DOI: 10.1021/jm030373l BindingDB Entry DOI: 10.7270/Q29S1QF7
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50199266 (6-(4-chlorophenyl)-3-[6-(1-piperidinylmethyl)-2-na...) Show SMILES Clc1ccc(cc1)-c1cc2ncn(-c3ccc4cc(CN5CCCCC5)ccc4c3)c(=O)c2s1 Show InChI InChI=1S/C28H24ClN3OS/c29-23-9-6-20(7-10-23)26-16-25-27(34-26)28(33)32(18-30-25)24-11-8-21-14-19(4-5-22(21)15-24)17-31-12-2-1-3-13-31/h4-11,14-16,18H,1-3,12-13,17H2	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.390	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity against human MCH1 receptor stably-expressed in CHO cells by Gal4/Elk1-Luc reporter assay				J Med Chem 49: 7108-18 (2006) Article DOI: 10.1021/jm060814b BindingDB Entry DOI: 10.7270/Q2JD4WFT
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM253910 (US9464092, B | US9527857, B) Show SMILES C[C@H]1CN(CCN1CC1CC1)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1 |r| Show InChI InChI=1S/C28H36N8O/c1-19-16-35(12-11-34(19)17-20-5-6-20)22-7-8-24(29-15-22)32-27-30-14-21-13-23-26(37)31-18-28(9-3-2-4-10-28)36(23)25(21)33-27/h7-8,13-15,19-20H,2-6,9-12,16-18H2,1H3,(H,31,37)(H,29,30,32,33)/t19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
GI Therapeutics, Inc. US Patent					Assay Description Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif.) to determ...				US Patent US9527857 (2016) BindingDB Entry DOI: 10.7270/Q2MK6B2C
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM253910 (US9464092, B | US9527857, B) Show SMILES C[C@H]1CN(CCN1CC1CC1)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1 |r| Show InChI InChI=1S/C28H36N8O/c1-19-16-35(12-11-34(19)17-20-5-6-20)22-7-8-24(29-15-22)32-27-30-14-21-13-23-26(37)31-18-28(9-3-2-4-10-28)36(23)25(21)33-27/h7-8,13-15,19-20H,2-6,9-12,16-18H2,1H3,(H,31,37)(H,29,30,32,33)/t19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
GI Therapeutics, Inc. US Patent					Assay Description Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif.) to determ...				US Patent US9527857 (2016) BindingDB Entry DOI: 10.7270/Q2CN72V8
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM253910 (US9464092, B | US9527857, B) Show SMILES C[C@H]1CN(CCN1CC1CC1)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1 |r| Show InChI InChI=1S/C28H36N8O/c1-19-16-35(12-11-34(19)17-20-5-6-20)22-7-8-24(29-15-22)32-27-30-14-21-13-23-26(37)31-18-28(9-3-2-4-10-28)36(23)25(21)33-27/h7-8,13-15,19-20H,2-6,9-12,16-18H2,1H3,(H,31,37)(H,29,30,32,33)/t19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
G1 Therapeutics, Inc. US Patent					Assay Description Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK6/CycD3 CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif....				US Patent US9464092 (2016) BindingDB Entry DOI: 10.7270/Q28C9V5W
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50138866 (CHEMBL156764 | [(S)-1-(1-Methyl-1H-pyrazol-3-ylami...) Show SMILES CCCC[C@H](NC(=O)OC(C(C)C)C(C)C)C(=O)C(=O)Nc1ccn(C)n1 Show InChI InChI=1S/C19H32N4O4/c1-7-8-9-14(20-19(26)27-17(12(2)3)13(4)5)16(24)18(25)21-15-10-11-23(6)22-15/h10-14,17H,7-9H2,1-6H3,(H,20,26)(H,21,22,25)/t14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.410	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Concentration required to inhibit 50% of cysteine protease cathepsin K of human				J Med Chem 47: 588-99 (2004) Article DOI: 10.1021/jm030373l BindingDB Entry DOI: 10.7270/Q29S1QF7
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50138869 (CHEMBL154959 | [(S)-1-(4-Methyl-1H-pyrazol-3-ylami...) Show SMILES CCCC[C@H](NC(=O)OC(C(C)C)C(C)C)C(=O)C(=O)Nc1[nH]ncc1C Show InChI InChI=1S/C19H32N4O4/c1-7-8-9-14(21-19(26)27-16(11(2)3)12(4)5)15(24)18(25)22-17-13(6)10-20-23-17/h10-12,14,16H,7-9H2,1-6H3,(H,21,26)(H2,20,22,23,25)/t14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.470	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Concentration required to inhibit 50% of cysteine protease cathepsin K of human				J Med Chem 47: 588-99 (2004) Article DOI: 10.1021/jm030373l BindingDB Entry DOI: 10.7270/Q29S1QF7
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM253935 (US9464092, AA | US9527857, AA) Show SMILES CC(C)N1CCN(C[C@@H]1C)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1 |r| Show InChI InChI=1S/C27H36N8O/c1-18(2)34-12-11-33(16-19(34)3)21-7-8-23(28-15-21)31-26-29-14-20-13-22-25(36)30-17-27(9-5-4-6-10-27)35(22)24(20)32-26/h7-8,13-15,18-19H,4-6,9-12,16-17H2,1-3H3,(H,30,36)(H,28,29,31,32)/t19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
G1 Therapeutics, Inc. US Patent					Assay Description Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK6/CycD3 CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif....				US Patent US9464092 (2016) BindingDB Entry DOI: 10.7270/Q28C9V5W
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50241083 (6-(4-chlorophenyl)-3-(3-methoxy-4-(2-(pyrrolidin-1...) Show SMILES COc1cc(ccc1OCCN1CCCC1)-n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C25H24ClN3O3S/c1-31-22-14-19(8-9-21(22)32-13-12-28-10-2-3-11-28)29-16-27-20-15-23(33-24(20)25(29)30)17-4-6-18(26)7-5-17/h4-9,14-16H,2-3,10-13H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity against human MCHR1 expressed in CHO cells by luciferase reporter gene assay				Bioorg Med Chem Lett 16: 4723-7 (2006) Article DOI: 10.1016/j.bmcl.2006.07.008 BindingDB Entry DOI: 10.7270/Q24B32MB
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM253926 (US9464092, R | US9527857, R) Show SMILES C[C@H]1CN(CCN1C)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1 |r| Show InChI InChI=1S/C25H32N8O/c1-17-15-32(11-10-31(17)2)19-6-7-21(26-14-19)29-24-27-13-18-12-20-23(34)28-16-25(8-4-3-5-9-25)33(20)22(18)30-24/h6-7,12-14,17H,3-5,8-11,15-16H2,1-2H3,(H,28,34)(H,26,27,29,30)/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
GI Therapeutics, Inc. US Patent					Assay Description Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif.) to determ...				US Patent US9527857 (2016) BindingDB Entry DOI: 10.7270/Q2MK6B2C
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM253935 (US9464092, AA | US9527857, AA) Show SMILES CC(C)N1CCN(C[C@@H]1C)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1 |r| Show InChI InChI=1S/C27H36N8O/c1-18(2)34-12-11-33(16-19(34)3)21-7-8-23(28-15-21)31-26-29-14-20-13-22-25(36)30-17-27(9-5-4-6-10-27)35(22)24(20)32-26/h7-8,13-15,18-19H,4-6,9-12,16-17H2,1-3H3,(H,30,36)(H,28,29,31,32)/t19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
GI Therapeutics, Inc. US Patent					Assay Description Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif.) to determ...				US Patent US9527857 (2016) BindingDB Entry DOI: 10.7270/Q2MK6B2C
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM253926 (US9464092, R | US9527857, R) Show SMILES C[C@H]1CN(CCN1C)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1 |r| Show InChI InChI=1S/C25H32N8O/c1-17-15-32(11-10-31(17)2)19-6-7-21(26-14-19)29-24-27-13-18-12-20-23(34)28-16-25(8-4-3-5-9-25)33(20)22(18)30-24/h6-7,12-14,17H,3-5,8-11,15-16H2,1-2H3,(H,28,34)(H,26,27,29,30)/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
GI Therapeutics, Inc. US Patent					Assay Description Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif.) to determ...				US Patent US9527857 (2016) BindingDB Entry DOI: 10.7270/Q2CN72V8
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM253935 (US9464092, AA | US9527857, AA) Show SMILES CC(C)N1CCN(C[C@@H]1C)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1 |r| Show InChI InChI=1S/C27H36N8O/c1-18(2)34-12-11-33(16-19(34)3)21-7-8-23(28-15-21)31-26-29-14-20-13-22-25(36)30-17-27(9-5-4-6-10-27)35(22)24(20)32-26/h7-8,13-15,18-19H,4-6,9-12,16-17H2,1-3H3,(H,30,36)(H,28,29,31,32)/t19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
GI Therapeutics, Inc. US Patent					Assay Description Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif.) to determ...				US Patent US9527857 (2016) BindingDB Entry DOI: 10.7270/Q2CN72V8
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM253926 (US9464092, R | US9527857, R) Show SMILES C[C@H]1CN(CCN1C)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1 |r| Show InChI InChI=1S/C25H32N8O/c1-17-15-32(11-10-31(17)2)19-6-7-21(26-14-19)29-24-27-13-18-12-20-23(34)28-16-25(8-4-3-5-9-25)33(20)22(18)30-24/h6-7,12-14,17H,3-5,8-11,15-16H2,1-2H3,(H,28,34)(H,26,27,29,30)/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
G1 Therapeutics, Inc. US Patent					Assay Description Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK6/CycD3 CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif....				US Patent US9464092 (2016) BindingDB Entry DOI: 10.7270/Q28C9V5W
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM253925 (US10189849, Compound 28 | US10927120, Compound 28 ...) Show SMILES O=C1NCC2(CCCCC2)n2c1cc1cnc(Nc3ccc(cn3)N3CCNCC3)nc21 Show InChI InChI=1S/C23H28N8O/c32-21-18-12-16-13-26-22(28-19-5-4-17(14-25-19)30-10-8-24-9-11-30)29-20(16)31(18)23(15-27-21)6-2-1-3-7-23/h4-5,12-14,24H,1-3,6-11,15H2,(H,27,32)(H,25,26,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
GI Therapeutics, Inc. US Patent					Assay Description Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif.) to determ...				US Patent US9527857 (2016) BindingDB Entry DOI: 10.7270/Q2MK6B2C
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM253925 (US10189849, Compound 28 | US10927120, Compound 28 ...) Show SMILES O=C1NCC2(CCCCC2)n2c1cc1cnc(Nc3ccc(cn3)N3CCNCC3)nc21 Show InChI InChI=1S/C23H28N8O/c32-21-18-12-16-13-26-22(28-19-5-4-17(14-25-19)30-10-8-24-9-11-30)29-20(16)31(18)23(15-27-21)6-2-1-3-7-23/h4-5,12-14,24H,1-3,6-11,15H2,(H,27,32)(H,25,26,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
G1 Therapeutics, Inc. US Patent					Assay Description Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK6/CycD3 CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif....				US Patent US9464092 (2016) BindingDB Entry DOI: 10.7270/Q28C9V5W
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM253925 (US10189849, Compound 28 | US10927120, Compound 28 ...) Show SMILES O=C1NCC2(CCCCC2)n2c1cc1cnc(Nc3ccc(cn3)N3CCNCC3)nc21 Show InChI InChI=1S/C23H28N8O/c32-21-18-12-16-13-26-22(28-19-5-4-17(14-25-19)30-10-8-24-9-11-30)29-20(16)31(18)23(15-27-21)6-2-1-3-7-23/h4-5,12-14,24H,1-3,6-11,15H2,(H,27,32)(H,25,26,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
GI Therapeutics, Inc. US Patent					Assay Description Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif.) to determ...				US Patent US9527857 (2016) BindingDB Entry DOI: 10.7270/Q2CN72V8
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM253925 (US10189849, Compound 28 | US10927120, Compound 28 ...) Show SMILES O=C1NCC2(CCCCC2)n2c1cc1cnc(Nc3ccc(cn3)N3CCNCC3)nc21 Show InChI InChI=1S/C23H28N8O/c32-21-18-12-16-13-26-22(28-19-5-4-17(14-25-19)30-10-8-24-9-11-30)29-20(16)31(18)23(15-27-21)6-2-1-3-7-23/h4-5,12-14,24H,1-3,6-11,15H2,(H,27,32)(H,25,26,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.627	n/a	n/a	n/a	n/a	n/a	n/a
G1 Therapeutics, Inc. US Patent					Assay Description Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK6/CycD3 CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif....				US Patent US9464092 (2016) BindingDB Entry DOI: 10.7270/Q28C9V5W
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM253925 (US10189849, Compound 28 | US10927120, Compound 28 ...) Show SMILES O=C1NCC2(CCCCC2)n2c1cc1cnc(Nc3ccc(cn3)N3CCNCC3)nc21 Show InChI InChI=1S/C23H28N8O/c32-21-18-12-16-13-26-22(28-19-5-4-17(14-25-19)30-10-8-24-9-11-30)29-20(16)31(18)23(15-27-21)6-2-1-3-7-23/h4-5,12-14,24H,1-3,6-11,15H2,(H,27,32)(H,25,26,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.627	n/a	n/a	n/a	n/a	n/a	n/a
GI Therapeutics, Inc. US Patent					Assay Description Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif.) to determ...				US Patent US9527857 (2016) BindingDB Entry DOI: 10.7270/Q2CN72V8
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50138879 (CHEMBL345982 | [(S)-1-(5-Phenyl-1H-pyrazol-3-ylami...) Show SMILES CCCC[C@H](NC(=O)OC(C(C)C)C(C)C)C(=O)C(=O)Nc1cc(n[nH]1)-c1ccccc1 Show InChI InChI=1S/C24H34N4O4/c1-6-7-13-18(25-24(31)32-22(15(2)3)16(4)5)21(29)23(30)26-20-14-19(27-28-20)17-11-9-8-10-12-17/h8-12,14-16,18,22H,6-7,13H2,1-5H3,(H,25,31)(H2,26,27,28,30)/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.650	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Concentration required to inhibit 50% of cysteine protease cathepsin K of human				J Med Chem 47: 588-99 (2004) Article DOI: 10.1021/jm030373l BindingDB Entry DOI: 10.7270/Q29S1QF7
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM253929 (US9464092, U | US9527857, U) Show SMILES O=C1NCC2(CCCCC2)n2c1cc1cnc(Nc3ccc(cn3)N3CCC(CC3)N3CCOCC3)nc21 Show InChI InChI=1S/C28H36N8O2/c37-26-23-16-20-17-30-27(33-25(20)36(23)28(19-31-26)8-2-1-3-9-28)32-24-5-4-22(18-29-24)34-10-6-21(7-11-34)35-12-14-38-15-13-35/h4-5,16-18,21H,1-3,6-15,19H2,(H,31,37)(H,29,30,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.655	n/a	n/a	n/a	n/a	n/a	n/a
GI Therapeutics, Inc. US Patent					Assay Description Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif.) to determ...				US Patent US9527857 (2016) BindingDB Entry DOI: 10.7270/Q2CN72V8
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM253929 (US9464092, U | US9527857, U) Show SMILES O=C1NCC2(CCCCC2)n2c1cc1cnc(Nc3ccc(cn3)N3CCC(CC3)N3CCOCC3)nc21 Show InChI InChI=1S/C28H36N8O2/c37-26-23-16-20-17-30-27(33-25(20)36(23)28(19-31-26)8-2-1-3-9-28)32-24-5-4-22(18-29-24)34-10-6-21(7-11-34)35-12-14-38-15-13-35/h4-5,16-18,21H,1-3,6-15,19H2,(H,31,37)(H,29,30,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.655	n/a	n/a	n/a	n/a	n/a	n/a
G1 Therapeutics, Inc. US Patent					Assay Description Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK6/CycD3 CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif....				US Patent US9464092 (2016) BindingDB Entry DOI: 10.7270/Q28C9V5W
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM253918 (US9464092, J | US9527857, J) Show SMILES C[C@@H](O)CN1CCN(C[C@H]1C)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1 |r| Show InChI InChI=1S/C27H36N8O2/c1-18-15-34(11-10-33(18)16-19(2)36)21-6-7-23(28-14-21)31-26-29-13-20-12-22-25(37)30-17-27(8-4-3-5-9-27)35(22)24(20)32-26/h6-7,12-14,18-19,36H,3-5,8-11,15-17H2,1-2H3,(H,30,37)(H,28,29,31,32)/t18-,19-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
GI Therapeutics, Inc. US Patent					Assay Description Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif.) to determ...				US Patent US9527857 (2016) BindingDB Entry DOI: 10.7270/Q2MK6B2C
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM253929 (US9464092, U | US9527857, U) Show SMILES O=C1NCC2(CCCCC2)n2c1cc1cnc(Nc3ccc(cn3)N3CCC(CC3)N3CCOCC3)nc21 Show InChI InChI=1S/C28H36N8O2/c37-26-23-16-20-17-30-27(33-25(20)36(23)28(19-31-26)8-2-1-3-9-28)32-24-5-4-22(18-29-24)34-10-6-21(7-11-34)35-12-14-38-15-13-35/h4-5,16-18,21H,1-3,6-15,19H2,(H,31,37)(H,29,30,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
GI Therapeutics, Inc. US Patent					Assay Description Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif.) to determ...				US Patent US9527857 (2016) BindingDB Entry DOI: 10.7270/Q2MK6B2C
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM253929 (US9464092, U | US9527857, U) Show SMILES O=C1NCC2(CCCCC2)n2c1cc1cnc(Nc3ccc(cn3)N3CCC(CC3)N3CCOCC3)nc21 Show InChI InChI=1S/C28H36N8O2/c37-26-23-16-20-17-30-27(33-25(20)36(23)28(19-31-26)8-2-1-3-9-28)32-24-5-4-22(18-29-24)34-10-6-21(7-11-34)35-12-14-38-15-13-35/h4-5,16-18,21H,1-3,6-15,19H2,(H,31,37)(H,29,30,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
G1 Therapeutics, Inc. US Patent					Assay Description Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK6/CycD3 CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif....				US Patent US9464092 (2016) BindingDB Entry DOI: 10.7270/Q28C9V5W
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM253918 (US9464092, J | US9527857, J) Show SMILES C[C@@H](O)CN1CCN(C[C@H]1C)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1 |r| Show InChI InChI=1S/C27H36N8O2/c1-18-15-34(11-10-33(18)16-19(2)36)21-6-7-23(28-14-21)31-26-29-13-20-12-22-25(37)30-17-27(8-4-3-5-9-27)35(22)24(20)32-26/h6-7,12-14,18-19,36H,3-5,8-11,15-17H2,1-2H3,(H,30,37)(H,28,29,31,32)/t18-,19-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
G1 Therapeutics, Inc. US Patent					Assay Description Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK6/CycD3 CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif....				US Patent US9464092 (2016) BindingDB Entry DOI: 10.7270/Q28C9V5W
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM253957 (US10189849, Compound 39 | US10927120, Compound 39 ...) Show SMILES O=C1NCC2(CCCC2)n2c1cc1cnc(Nc3ccc(cn3)N3CCC(CC3)N3CCOCC3)nc21 Show InChI InChI=1S/C27H34N8O2/c36-25-22-15-19-16-29-26(32-24(19)35(22)27(18-30-25)7-1-2-8-27)31-23-4-3-21(17-28-23)33-9-5-20(6-10-33)34-11-13-37-14-12-34/h3-4,15-17,20H,1-2,5-14,18H2,(H,30,36)(H,28,29,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
G1 Therapeutics, Inc. US Patent					Assay Description Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK6/CycD3 CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif....				US Patent US9464092 (2016) BindingDB Entry DOI: 10.7270/Q28C9V5W
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM253957 (US10189849, Compound 39 | US10927120, Compound 39 ...) Show SMILES O=C1NCC2(CCCC2)n2c1cc1cnc(Nc3ccc(cn3)N3CCC(CC3)N3CCOCC3)nc21 Show InChI InChI=1S/C27H34N8O2/c36-25-22-15-19-16-29-26(32-24(19)35(22)27(18-30-25)7-1-2-8-27)31-23-4-3-21(17-28-23)33-9-5-20(6-10-33)34-11-13-37-14-12-34/h3-4,15-17,20H,1-2,5-14,18H2,(H,30,36)(H,28,29,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
GI Therapeutics, Inc. US Patent					Assay Description Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif.) to determ...				US Patent US9527857 (2016) BindingDB Entry DOI: 10.7270/Q2CN72V8
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM253929 (US9464092, U | US9527857, U) Show SMILES O=C1NCC2(CCCCC2)n2c1cc1cnc(Nc3ccc(cn3)N3CCC(CC3)N3CCOCC3)nc21 Show InChI InChI=1S/C28H36N8O2/c37-26-23-16-20-17-30-27(33-25(20)36(23)28(19-31-26)8-2-1-3-9-28)32-24-5-4-22(18-29-24)34-10-6-21(7-11-34)35-12-14-38-15-13-35/h4-5,16-18,21H,1-3,6-15,19H2,(H,31,37)(H,29,30,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
GI Therapeutics, Inc. US Patent					Assay Description Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif.) to determ...				US Patent US9527857 (2016) BindingDB Entry DOI: 10.7270/Q2CN72V8
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM253918 (US9464092, J | US9527857, J) Show SMILES C[C@@H](O)CN1CCN(C[C@H]1C)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1 |r| Show InChI InChI=1S/C27H36N8O2/c1-18-15-34(11-10-33(18)16-19(2)36)21-6-7-23(28-14-21)31-26-29-13-20-12-22-25(37)30-17-27(8-4-3-5-9-27)35(22)24(20)32-26/h6-7,12-14,18-19,36H,3-5,8-11,15-17H2,1-2H3,(H,30,37)(H,28,29,31,32)/t18-,19-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
GI Therapeutics, Inc. US Patent					Assay Description Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif.) to determ...				US Patent US9527857 (2016) BindingDB Entry DOI: 10.7270/Q2CN72V8
					More data for this Ligand-Target Pair

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