Compile Data Set for Download or QSAR

Found 164 hits with Last Name = 'rawlings' and Initial = 'ad'   

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 alpha (Homo sapiens (Human))	BDBM8336 (N-[5-(pyridin-3-yl)-1H-pyrazolo[3,4-c]pyridazin-3-...) Show SMILES O=C(Nc1n[nH]c2nnc(cc12)-c1cccnc1)C1CC1 Show InChI InChI=1S/C14H12N6O/c21-14(8-3-4-8)16-12-10-6-11(9-2-1-5-15-7-9)17-19-13(10)20-18-12/h1-2,5-8H,3-4H2,(H2,16,18,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.0800	-57.1	n/a	n/a	n/a	n/a	n/a	7.0	22
GlaxoSmithKline					Assay Description The biochemical activity of compounds was determined by incubation with specific enzyme and substrate in the presence 10 uM ATP/ [gamma-33P] ATP. Aft...				Bioorg Med Chem Lett 13: 1581-4 (2003) Article DOI: 10.1016/s0960-894x(03)00135-5 BindingDB Entry DOI: 10.7270/Q2BK19JV
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 alpha (Homo sapiens (Human))	BDBM8337 (N-[5-(2,3-difluorophenyl)-1H-pyrazolo[3,4-c]pyrida...) Show SMILES Fc1cccc(c1F)-c1cc2c(NC(=O)C3CCCC3)n[nH]c2nn1 Show InChI InChI=1S/C17H15F2N5O/c18-12-7-3-6-10(14(12)19)13-8-11-15(22-24-16(11)23-21-13)20-17(25)9-4-1-2-5-9/h3,6-9H,1-2,4-5H2,(H2,20,22,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.110	-56.3	n/a	n/a	n/a	n/a	n/a	7.0	22
GlaxoSmithKline					Assay Description The biochemical activity of compounds was determined by incubation with specific enzyme and substrate in the presence 10 uM ATP/ [gamma-33P] ATP. Aft...				Bioorg Med Chem Lett 13: 1581-4 (2003) Article DOI: 10.1016/s0960-894x(03)00135-5 BindingDB Entry DOI: 10.7270/Q2BK19JV
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 alpha (Homo sapiens (Human))	BDBM8339 (N-[5-(2,3-difluorophenyl)-1H-pyrazolo[3,4-c]pyrida...) Show SMILES CCN1CCC(CC(=O)Nc2n[nH]c3nnc(cc23)-c2cccc(F)c2F)CC1 Show InChI InChI=1S/C20H22F2N6O/c1-2-28-8-6-12(7-9-28)10-17(29)23-19-14-11-16(24-26-20(14)27-25-19)13-4-3-5-15(21)18(13)22/h3-5,11-12H,2,6-10H2,1H3,(H2,23,25,26,27,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.190	-54.9	n/a	n/a	n/a	n/a	n/a	7.0	22
GlaxoSmithKline					Assay Description The biochemical activity of compounds was determined by incubation with specific enzyme and substrate in the presence 10 uM ATP/ [gamma-33P] ATP. Aft...				Bioorg Med Chem Lett 13: 1581-4 (2003) Article DOI: 10.1016/s0960-894x(03)00135-5 BindingDB Entry DOI: 10.7270/Q2BK19JV
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 alpha (Homo sapiens (Human))	BDBM8338 (N-[5-(2,3-difluorophenyl)-1H-pyrazolo[3,4-c]pyrida...) Show SMILES CCN1CCC(CC1)C(=O)Nc1n[nH]c2nnc(cc12)-c1cccc(F)c1F Show InChI InChI=1S/C19H20F2N6O/c1-2-27-8-6-11(7-9-27)19(28)22-17-13-10-15(23-25-18(13)26-24-17)12-4-3-5-14(20)16(12)21/h3-5,10-11H,2,6-9H2,1H3,(H2,22,24,25,26,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.950	-51.0	n/a	n/a	n/a	n/a	n/a	7.0	22
GlaxoSmithKline					Assay Description The biochemical activity of compounds was determined by incubation with specific enzyme and substrate in the presence 10 uM ATP/ [gamma-33P] ATP. Aft...				Bioorg Med Chem Lett 13: 1581-4 (2003) Article DOI: 10.1016/s0960-894x(03)00135-5 BindingDB Entry DOI: 10.7270/Q2BK19JV
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM8337 (N-[5-(2,3-difluorophenyl)-1H-pyrazolo[3,4-c]pyrida...) Show SMILES Fc1cccc(c1F)-c1cc2c(NC(=O)C3CCCC3)n[nH]c2nn1 Show InChI InChI=1S/C17H15F2N5O/c18-12-7-3-6-10(14(12)19)13-8-11-15(22-24-16(11)23-21-13)20-17(25)9-4-1-2-5-9/h3,6-9H,1-2,4-5H2,(H2,20,22,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5	-46.7	n/a	n/a	n/a	n/a	n/a	7.5	21
GlaxoSmithKline					Assay Description In vitro kinase assay using purified CDK2/Cyclin A was incubated at room temperature with substrate, and test compounds in the presence of 100 uM ATP...				Bioorg Med Chem Lett 13: 1581-4 (2003) Article DOI: 10.1016/s0960-894x(03)00135-5 BindingDB Entry DOI: 10.7270/Q2BK19JV
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM8336 (N-[5-(pyridin-3-yl)-1H-pyrazolo[3,4-c]pyridazin-3-...) Show SMILES O=C(Nc1n[nH]c2nnc(cc12)-c1cccnc1)C1CC1 Show InChI InChI=1S/C14H12N6O/c21-14(8-3-4-8)16-12-10-6-11(9-2-1-5-15-7-9)17-19-13(10)20-18-12/h1-2,5-8H,3-4H2,(H2,16,18,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5	-46.7	n/a	n/a	n/a	n/a	n/a	7.5	21
GlaxoSmithKline					Assay Description In vitro kinase assay using purified CDK2/Cyclin A was incubated at room temperature with substrate, and test compounds in the presence of 100 uM ATP...				Bioorg Med Chem Lett 13: 1581-4 (2003) Article DOI: 10.1016/s0960-894x(03)00135-5 BindingDB Entry DOI: 10.7270/Q2BK19JV
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50096383 (Benzo[b]thiophene-2-carboxylic acid [(S)-3-methyl-...) Show SMILES CC(C)C[C@H](NC(=O)c1cc2ccccc2s1)C(=O)NC1COCC1=O Show InChI InChI=1S/C19H22N2O4S/c1-11(2)7-13(18(23)21-14-9-25-10-15(14)22)20-19(24)17-8-12-5-3-4-6-16(12)26-17/h3-6,8,11,13-14H,7,9-10H2,1-2H3,(H,20,24)(H,21,23)/t13-,14?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Smith Kline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against human cysteine protease, cathepsin K.				Bioorg Med Chem Lett 11: 195-8 (2001) BindingDB Entry DOI: 10.7270/Q2ZP45CQ
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50096371 (4-tert-Butyl-N-[(S)-3-methyl-1-(4-oxo-tetrahydro-f...) Show SMILES CC(C)C[C@H](NC(=O)c1ccc(cc1)C(C)(C)C)C(=O)NC1COCC1=O Show InChI InChI=1S/C21H30N2O4/c1-13(2)10-16(20(26)23-17-11-27-12-18(17)24)22-19(25)14-6-8-15(9-7-14)21(3,4)5/h6-9,13,16-17H,10-12H2,1-5H3,(H,22,25)(H,23,26)/t16-,17?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Smith Kline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against human cysteine protease, cathepsin K.				Bioorg Med Chem Lett 11: 195-8 (2001) BindingDB Entry DOI: 10.7270/Q2ZP45CQ
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50096373 (Biphenyl-4-carboxylic acid [(S)-3-methyl-1-(4-oxo-...) Show SMILES CC(C)C[C@H](NC(=O)c1ccc(cc1)-c1ccccc1)C(=O)NC1COCC1=O Show InChI InChI=1S/C23H26N2O4/c1-15(2)12-19(23(28)25-20-13-29-14-21(20)26)24-22(27)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-11,15,19-20H,12-14H2,1-2H3,(H,24,27)(H,25,28)/t19-,20?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Smith Kline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against human cysteine protease, cathepsin K.				Bioorg Med Chem Lett 11: 195-8 (2001) BindingDB Entry DOI: 10.7270/Q2ZP45CQ
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50096380 (1H-Indole-6-carboxylic acid [(S)-3-methyl-1-(4-oxo...) Show SMILES CC(C)C[C@H](NC(=O)c1ccc2cc[nH]c2c1)C(=O)NC1COCC1=O Show InChI InChI=1S/C19H23N3O4/c1-11(2)7-15(19(25)22-16-9-26-10-17(16)23)21-18(24)13-4-3-12-5-6-20-14(12)8-13/h3-6,8,11,15-16,20H,7,9-10H2,1-2H3,(H,21,24)(H,22,25)/t15-,16?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Smith Kline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against human cysteine protease, cathepsin K.				Bioorg Med Chem Lett 11: 195-8 (2001) BindingDB Entry DOI: 10.7270/Q2ZP45CQ
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM19804 ((2S)-4-methyl-N-(4-oxooxolan-3-yl)-2-(quinolin-2-y...) Show SMILES CC(C)C[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)NC1COCC1=O |r| Show InChI InChI=1S/C20H23N3O4/c1-12(2)9-16(20(26)23-17-10-27-11-18(17)24)22-19(25)15-8-7-13-5-3-4-6-14(13)21-15/h3-8,12,16-17H,9-11H2,1-2H3,(H,22,25)(H,23,26)/t16-,17?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Smith Kline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against human cysteine protease, cathepsin K.				Bioorg Med Chem Lett 11: 195-8 (2001) BindingDB Entry DOI: 10.7270/Q2ZP45CQ
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50096366 (Benzofuran-2-carboxylic acid [(S)-3-methyl-1-(4-ox...) Show SMILES CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)NC1COCC1=O Show InChI InChI=1S/C19H22N2O5/c1-11(2)7-13(18(23)21-14-9-25-10-15(14)22)20-19(24)17-8-12-5-3-4-6-16(12)26-17/h3-6,8,11,13-14H,7,9-10H2,1-2H3,(H,20,24)(H,21,23)/t13-,14?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	53	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Smith Kline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against human cysteine protease, cathepsin K.				Bioorg Med Chem Lett 11: 195-8 (2001) BindingDB Entry DOI: 10.7270/Q2ZP45CQ
					More data for this Ligand-Target Pair				3D Structure (docked)
Cathepsin K (Homo sapiens (Human))	BDBM19797 (CHEMBL301683 | acyclic alkoxymethyl ketone inhibit...) Show SMILES COCC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C19H28N2O5/c1-13(2)10-16(18(23)20-14(3)17(22)12-25-4)21-19(24)26-11-15-8-6-5-7-9-15/h5-9,13-14,16H,10-12H2,1-4H3,(H,20,23)(H,21,24)/t14-,16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Smith Kline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against human cysteine protease, cathepsin K.				Bioorg Med Chem Lett 11: 195-8 (2001) BindingDB Entry DOI: 10.7270/Q2ZP45CQ
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50096370 (CHEMBL59115 | Naphthalene-2-carboxylic acid [(S)-3...) Show SMILES CC(C)C[C@H](NC(=O)c1ccc2ccccc2c1)C(=O)NC1COCC1=O Show InChI InChI=1S/C21H24N2O4/c1-13(2)9-17(21(26)23-18-11-27-12-19(18)24)22-20(25)16-8-7-14-5-3-4-6-15(14)10-16/h3-8,10,13,17-18H,9,11-12H2,1-2H3,(H,22,25)(H,23,26)/t17-,18?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	61	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Smith Kline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against human cysteine protease, cathepsin K.				Bioorg Med Chem Lett 11: 195-8 (2001) BindingDB Entry DOI: 10.7270/Q2ZP45CQ
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50096374 (4-Isopropyl-N-[(S)-3-methyl-1-(4-oxo-tetrahydro-fu...) Show SMILES CC(C)C[C@H](NC(=O)c1ccc(cc1)C(C)C)C(=O)NC1COCC1=O Show InChI InChI=1S/C20H28N2O4/c1-12(2)9-16(20(25)22-17-10-26-11-18(17)23)21-19(24)15-7-5-14(6-8-15)13(3)4/h5-8,12-13,16-17H,9-11H2,1-4H3,(H,21,24)(H,22,25)/t16-,17?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	64	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Smith Kline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against human cysteine protease, cathepsin K.				Bioorg Med Chem Lett 11: 195-8 (2001) BindingDB Entry DOI: 10.7270/Q2ZP45CQ
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM19798 (3-amidotetrahydrofuran-4-one, 3 | CHEMBL61805 | be...) Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC1COCC1=O |r| Show InChI InChI=1S/C18H24N2O5/c1-12(2)8-14(17(22)19-15-10-24-11-16(15)21)20-18(23)25-9-13-6-4-3-5-7-13/h3-7,12,14-15H,8-11H2,1-2H3,(H,19,22)(H,20,23)/t14-,15?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Smith Kline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against human cysteine protease, cathepsin K.				Bioorg Med Chem Lett 11: 195-8 (2001) BindingDB Entry DOI: 10.7270/Q2ZP45CQ
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50096391 (CHEMBL58567 | N-[(S)-3-Methyl-1-(4-oxo-tetrahydro-...) Show SMILES CC(C)C[C@H](NC(=O)c1ccccc1)C(=O)NC1COCC1=O Show InChI InChI=1S/C17H22N2O4/c1-11(2)8-13(17(22)19-14-9-23-10-15(14)20)18-16(21)12-6-4-3-5-7-12/h3-7,11,13-14H,8-10H2,1-2H3,(H,18,21)(H,19,22)/t13-,14?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Smith Kline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against human cysteine protease, cathepsin K.				Bioorg Med Chem Lett 11: 195-8 (2001) BindingDB Entry DOI: 10.7270/Q2ZP45CQ
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50096389 (Benzo[b]thiophene-2-carboxylic acid [(S)-1-(4-oxo-...) Show SMILES CCC[C@H](NC(=O)c1cc2ccccc2s1)C(=O)NC1COCC1=O Show InChI InChI=1S/C18H20N2O4S/c1-2-5-12(17(22)20-13-9-24-10-14(13)21)19-18(23)16-8-11-6-3-4-7-15(11)25-16/h3-4,6-8,12-13H,2,5,9-10H2,1H3,(H,19,23)(H,20,22)/t12-,13?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Smith Kline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against human cysteine protease, cathepsin K.				Bioorg Med Chem Lett 11: 195-8 (2001) BindingDB Entry DOI: 10.7270/Q2ZP45CQ
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50096368 (CHEMBL59170 | Pyridine-2-carboxylic acid [(S)-3-me...) Show SMILES CC(C)C[C@H](NC(=O)c1ccccn1)C(=O)NC1COCC1=O Show InChI InChI=1S/C16H21N3O4/c1-10(2)7-12(16(22)19-13-8-23-9-14(13)20)18-15(21)11-5-3-4-6-17-11/h3-6,10,12-13H,7-9H2,1-2H3,(H,18,21)(H,19,22)/t12-,13?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Smith Kline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against human cysteine protease, cathepsin K.				Bioorg Med Chem Lett 11: 195-8 (2001) BindingDB Entry DOI: 10.7270/Q2ZP45CQ
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM8338 (N-[5-(2,3-difluorophenyl)-1H-pyrazolo[3,4-c]pyrida...) Show SMILES CCN1CCC(CC1)C(=O)Nc1n[nH]c2nnc(cc12)-c1cccc(F)c1F Show InChI InChI=1S/C19H20F2N6O/c1-2-27-8-6-11(7-9-27)19(28)22-17-13-10-15(23-25-18(13)26-24-17)12-4-3-5-14(20)16(12)21/h3-5,10-11H,2,6-9H2,1H3,(H2,22,24,25,26,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	450	-35.7	n/a	n/a	n/a	n/a	n/a	7.5	21
GlaxoSmithKline					Assay Description In vitro kinase assay using purified CDK2/Cyclin A was incubated at room temperature with substrate, and test compounds in the presence of 100 uM ATP...				Bioorg Med Chem Lett 13: 1581-4 (2003) Article DOI: 10.1016/s0960-894x(03)00135-5 BindingDB Entry DOI: 10.7270/Q2BK19JV
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM8339 (N-[5-(2,3-difluorophenyl)-1H-pyrazolo[3,4-c]pyrida...) Show SMILES CCN1CCC(CC(=O)Nc2n[nH]c3nnc(cc23)-c2cccc(F)c2F)CC1 Show InChI InChI=1S/C20H22F2N6O/c1-2-28-8-6-12(7-9-28)10-17(29)23-19-14-11-16(24-26-20(14)27-25-19)13-4-3-5-15(21)18(13)22/h3-5,11-12H,2,6-10H2,1H3,(H2,23,25,26,27,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	540	-35.3	n/a	n/a	n/a	n/a	n/a	7.5	21
GlaxoSmithKline					Assay Description In vitro kinase assay using purified CDK2/Cyclin A was incubated at room temperature with substrate, and test compounds in the presence of 100 uM ATP...				Bioorg Med Chem Lett 13: 1581-4 (2003) Article DOI: 10.1016/s0960-894x(03)00135-5 BindingDB Entry DOI: 10.7270/Q2BK19JV
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50096369 (CHEMBL61482 | Thiophene-2-carboxylic acid [(S)-3-m...) Show SMILES CC(C)C[C@H](NC(=O)c1cccs1)C(=O)NC1COCC1=O Show InChI InChI=1S/C15H20N2O4S/c1-9(2)6-10(16-15(20)13-4-3-5-22-13)14(19)17-11-7-21-8-12(11)18/h3-5,9-11H,6-8H2,1-2H3,(H,16,20)(H,17,19)/t10-,11?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	640	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Smith Kline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against human cysteine protease, cathepsin K.				Bioorg Med Chem Lett 11: 195-8 (2001) BindingDB Entry DOI: 10.7270/Q2ZP45CQ
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50096381 (4-Methanesulfonyl-N-[(S)-3-methyl-1-(4-oxo-tetrahy...) Show SMILES CC(C)C[C@H](NC(=O)c1ccc(cc1)S(C)(=O)=O)C(=O)NC1COCC1=O Show InChI InChI=1S/C18H24N2O6S/c1-11(2)8-14(18(23)20-15-9-26-10-16(15)21)19-17(22)12-4-6-13(7-5-12)27(3,24)25/h4-7,11,14-15H,8-10H2,1-3H3,(H,19,22)(H,20,23)/t14-,15?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	710	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Smith Kline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against human cysteine protease, cathepsin K.				Bioorg Med Chem Lett 11: 195-8 (2001) BindingDB Entry DOI: 10.7270/Q2ZP45CQ
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50096376 (3,4-Difluoro-N-[(S)-3-methyl-1-(4-oxo-tetrahydro-f...) Show SMILES CC(C)C[C@H](NC(=O)c1ccc(F)c(F)c1)C(=O)NC1COCC1=O Show InChI InChI=1S/C17H20F2N2O4/c1-9(2)5-13(17(24)21-14-7-25-8-15(14)22)20-16(23)10-3-4-11(18)12(19)6-10/h3-4,6,9,13-14H,5,7-8H2,1-2H3,(H,20,23)(H,21,24)/t13-,14?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	820	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Smith Kline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against human cysteine protease, cathepsin K.				Bioorg Med Chem Lett 11: 195-8 (2001) BindingDB Entry DOI: 10.7270/Q2ZP45CQ
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50096378 (CHEMBL61797 | Cyclohexanecarboxylic acid [(S)-3-me...) Show SMILES CC(C)C[C@H](NC(=O)C1CCCCC1)C(=O)NC1COCC1=O Show InChI InChI=1S/C17H28N2O4/c1-11(2)8-13(17(22)19-14-9-23-10-15(14)20)18-16(21)12-6-4-3-5-7-12/h11-14H,3-10H2,1-2H3,(H,18,21)(H,19,22)/t13-,14?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Smith Kline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against human cysteine protease, cathepsin K.				Bioorg Med Chem Lett 11: 195-8 (2001) BindingDB Entry DOI: 10.7270/Q2ZP45CQ
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50096384 (CHEMBL62042 | N-[(S)-3-Methyl-1-(4-oxo-tetrahydro-...) Show SMILES CC(C)C[C@H](NC(=O)c1cccc(c1)[N+]([O-])=O)C(=O)NC1COCC1=O Show InChI InChI=1S/C17H21N3O6/c1-10(2)6-13(17(23)19-14-8-26-9-15(14)21)18-16(22)11-4-3-5-12(7-11)20(24)25/h3-5,7,10,13-14H,6,8-9H2,1-2H3,(H,18,22)(H,19,23)/t13-,14?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Smith Kline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against human cysteine protease, cathepsin K.				Bioorg Med Chem Lett 11: 195-8 (2001) BindingDB Entry DOI: 10.7270/Q2ZP45CQ
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50096382 ((S)-2-Acetylamino-4-methyl-pentanoic acid (4-oxo-t...) Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)NC1COCC1=O Show InChI InChI=1S/C12H20N2O4/c1-7(2)4-9(13-8(3)15)12(17)14-10-5-18-6-11(10)16/h7,9-10H,4-6H2,1-3H3,(H,13,15)(H,14,17)/t9-,10?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Smith Kline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against human cysteine protease, cathepsin K.				Bioorg Med Chem Lett 11: 195-8 (2001) BindingDB Entry DOI: 10.7270/Q2ZP45CQ
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM8327 (4-(dimethylamino)-N-{5-phenyl-1H-pyrazolo[3,4-c]py...) Show SMILES CN(C)CCCC(=O)Nc1n[nH]c2nnc(cc12)-c1ccccc1 Show InChI InChI=1S/C17H20N6O/c1-23(2)10-6-9-15(24)18-16-13-11-14(12-7-4-3-5-8-12)19-21-17(13)22-20-16/h3-5,7-8,11H,6,9-10H2,1-2H3,(H2,18,20,21,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	1.70E+3	-32.5	n/a	n/a	n/a	n/a	n/a	7.5	21
GlaxoSmithKline					Assay Description In vitro kinase assay using purified CDK2/Cyclin A was incubated at room temperature with substrate, and test compounds in the presence of 100 uM ATP...				Bioorg Med Chem Lett 13: 1581-4 (2003) Article DOI: 10.1016/s0960-894x(03)00135-5 BindingDB Entry DOI: 10.7270/Q2BK19JV
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50096367 (Benzo[b]thiophene-2-carboxylic acid [(4-oxo-tetrah...) Show SMILES O=C(CNC(=O)c1cc2ccccc2s1)NC1COCC1=O Show InChI InChI=1S/C15H14N2O4S/c18-11-8-21-7-10(11)17-14(19)6-16-15(20)13-5-9-3-1-2-4-12(9)22-13/h1-5,10H,6-8H2,(H,16,20)(H,17,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Smith Kline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against human cysteine protease, cathepsin K.				Bioorg Med Chem Lett 11: 195-8 (2001) BindingDB Entry DOI: 10.7270/Q2ZP45CQ
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50096375 ((S)-4-[(Benzo[b]thiophene-2-carbonyl)-amino]-4-(4-...) Show SMILES OC(=O)CC[C@H](NC(=O)c1cc2ccccc2s1)C(=O)NC1COCC1=O Show InChI InChI=1S/C18H18N2O6S/c21-13-9-26-8-12(13)20-17(24)11(5-6-16(22)23)19-18(25)15-7-10-3-1-2-4-14(10)27-15/h1-4,7,11-12H,5-6,8-9H2,(H,19,25)(H,20,24)(H,22,23)/t11-,12?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Smith Kline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against human cysteine protease, cathepsin K.				Bioorg Med Chem Lett 11: 195-8 (2001) BindingDB Entry DOI: 10.7270/Q2ZP45CQ
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50096390 (Benzo[b]thiophene-2-carboxylic acid [(S)-2-methyl-...) Show SMILES CC(C)[C@H](NC(=O)c1cc2ccccc2s1)C(=O)NC1COCC1=O Show InChI InChI=1S/C18H20N2O4S/c1-10(2)16(18(23)19-12-8-24-9-13(12)21)20-17(22)15-7-11-5-3-4-6-14(11)25-15/h3-7,10,12,16H,8-9H2,1-2H3,(H,19,23)(H,20,22)/t12?,16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Smith Kline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against human cysteine protease, cathepsin K.				Bioorg Med Chem Lett 11: 195-8 (2001) BindingDB Entry DOI: 10.7270/Q2ZP45CQ
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50096388 ((S)-2-[(Benzo[b]thiophene-2-carbonyl)-amino]-penta...) Show SMILES NC(=O)CC[C@H](NC(=O)c1cc2ccccc2s1)C(=O)NC1COCC1=O Show InChI InChI=1S/C18H19N3O5S/c19-16(23)6-5-11(17(24)21-12-8-26-9-13(12)22)20-18(25)15-7-10-3-1-2-4-14(10)27-15/h1-4,7,11-12H,5-6,8-9H2,(H2,19,23)(H,20,25)(H,21,24)/t11-,12?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Smith Kline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against human cysteine protease, cathepsin K.				Bioorg Med Chem Lett 11: 195-8 (2001) BindingDB Entry DOI: 10.7270/Q2ZP45CQ
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50096386 (Benzo[b]thiophene-2-carboxylic acid [(S)-1-(4-oxo-...) Show SMILES O=C(NC1COCC1=O)[C@H](Cc1ccccc1)NC(=O)c1cc2ccccc2s1 Show InChI InChI=1S/C22H20N2O4S/c25-18-13-28-12-17(18)24-21(26)16(10-14-6-2-1-3-7-14)23-22(27)20-11-15-8-4-5-9-19(15)29-20/h1-9,11,16-17H,10,12-13H2,(H,23,27)(H,24,26)/t16-,17?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Smith Kline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against human cysteine protease, cathepsin K.				Bioorg Med Chem Lett 11: 195-8 (2001) BindingDB Entry DOI: 10.7270/Q2ZP45CQ
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50096387 (Benzo[b]thiophene-2-carboxylic acid [(S)-2-hydroxy...) Show SMILES CC(O)[C@H](NC(=O)c1cc2ccccc2s1)C(=O)NC1COCC1=O Show InChI InChI=1S/C17H18N2O5S/c1-9(20)15(17(23)18-11-7-24-8-12(11)21)19-16(22)14-6-10-4-2-3-5-13(10)25-14/h2-6,9,11,15,20H,7-8H2,1H3,(H,18,23)(H,19,22)/t9?,11?,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Smith Kline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against human cysteine protease, cathepsin K.				Bioorg Med Chem Lett 11: 195-8 (2001) BindingDB Entry DOI: 10.7270/Q2ZP45CQ
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50096385 (Benzo[b]thiophene-2-carboxylic acid [(S)-2-imidazo...) Show SMILES O=C(NC1COCC1=O)[C@H](Cn1ccnc1)NC(=O)c1cc2ccccc2s1 Show InChI InChI=1S/C19H18N4O4S/c24-15-10-27-9-14(15)22-18(25)13(8-23-6-5-20-11-23)21-19(26)17-7-12-3-1-2-4-16(12)28-17/h1-7,11,13-14H,8-10H2,(H,21,26)(H,22,25)/t13-,14?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Smith Kline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against human cysteine protease, cathepsin K.				Bioorg Med Chem Lett 11: 195-8 (2001) BindingDB Entry DOI: 10.7270/Q2ZP45CQ
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50096379 (Benzo[b]thiophene-2-carboxylic acid [(S)-1-(4-oxo-...) Show SMILES C[C@H](NC(=O)c1cc2ccccc2s1)C(=O)NC1COCC1=O Show InChI InChI=1S/C16H16N2O4S/c1-9(15(20)18-11-7-22-8-12(11)19)17-16(21)14-6-10-4-2-3-5-13(10)23-14/h2-6,9,11H,7-8H2,1H3,(H,17,21)(H,18,20)/t9-,11?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Smith Kline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against human cysteine protease, cathepsin K.				Bioorg Med Chem Lett 11: 195-8 (2001) BindingDB Entry DOI: 10.7270/Q2ZP45CQ
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50096377 (Benzo[b]thiophene-2-carboxylic acid [(S)-5-amino-1...) Show SMILES NCCCC[C@H](NC(=O)c1cc2ccccc2s1)C(=O)NC1COCC1=O Show InChI InChI=1S/C19H23N3O4S/c20-8-4-3-6-13(18(24)22-14-10-26-11-15(14)23)21-19(25)17-9-12-5-1-2-7-16(12)27-17/h1-2,5,7,9,13-14H,3-4,6,8,10-11,20H2,(H,21,25)(H,22,24)/t13-,14?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Smith Kline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against human cysteine protease, cathepsin K.				Bioorg Med Chem Lett 11: 195-8 (2001) BindingDB Entry DOI: 10.7270/Q2ZP45CQ
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50096372 (Benzo[b]thiophene-2-carboxylic acid [(S)-2-cyclohe...) Show SMILES O=C(NC1COCC1=O)[C@H](CC1CCCCC1)NC(=O)c1cc2ccccc2s1 Show InChI InChI=1S/C22H26N2O4S/c25-18-13-28-12-17(18)24-21(26)16(10-14-6-2-1-3-7-14)23-22(27)20-11-15-8-4-5-9-19(15)29-20/h4-5,8-9,11,14,16-17H,1-3,6-7,10,12-13H2,(H,23,27)(H,24,26)/t16-,17?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Smith Kline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against human cysteine protease, cathepsin K.				Bioorg Med Chem Lett 11: 195-8 (2001) BindingDB Entry DOI: 10.7270/Q2ZP45CQ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 alpha (Homo sapiens (Human))	BDBM8349 (6-aryl-pyrazolo[3,4-b]pyridine analogue 13 | CHEMB...) Show SMILES Oc1ccc(cc1)-c1nc2[nH]nc(NC(=O)C3CC3)c2cc1Br Show InChI InChI=1S/C16H13BrN4O2/c17-12-7-11-14(18-13(12)8-3-5-10(22)6-4-8)20-21-15(11)19-16(23)9-1-2-9/h3-7,9,22H,1-2H2,(H2,18,19,20,21,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	7.0	22
GlaxoSmithKline					Assay Description The biochemical activity of compounds was determined by incubation with specific enzyme and substrate in the presence 10 uM ATP/ [gamma-33P] ATP. Aft...				Bioorg Med Chem Lett 13: 3055-7 (2003) Article DOI: 10.1016/s0960-894x(03)00645-0 BindingDB Entry DOI: 10.7270/Q26T0JVK
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 alpha (Homo sapiens (Human))	BDBM8359 (6-aryl-pyrazolo[3,4-b]pyridine analogue 23 | N-[5-...) Show SMILES CN1CCC(CC1)C(=O)Nc1n[nH]c2nc(c(Br)cc12)-c1ccc(O)cc1 Show InChI InChI=1S/C19H20BrN5O2/c1-25-8-6-12(7-9-25)19(27)22-18-14-10-15(20)16(21-17(14)23-24-18)11-2-4-13(26)5-3-11/h2-5,10,12,26H,6-9H2,1H3,(H2,21,22,23,24,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	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 10 uM ATP/ [gamma-33P] ATP. Aft...				Bioorg Med Chem Lett 13: 3055-7 (2003) Article DOI: 10.1016/s0960-894x(03)00645-0 BindingDB Entry DOI: 10.7270/Q26T0JVK
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 alpha (Homo sapiens (Human))	BDBM8350 (6-aryl-pyrazolo[3,4-b]pyridine analogue 14 | N-[5-...) Show SMILES Oc1ccc(cc1)-c1nc2[nH]nc(NC(=O)C3CC3)c2cc1Cl Show InChI InChI=1S/C16H13ClN4O2/c17-12-7-11-14(18-13(12)8-3-5-10(22)6-4-8)20-21-15(11)19-16(23)9-1-2-9/h3-7,9,22H,1-2H2,(H2,18,19,20,21,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	7.0	22
GlaxoSmithKline					Assay Description The biochemical activity of compounds was determined by incubation with specific enzyme and substrate in the presence 10 uM ATP/ [gamma-33P] ATP. Aft...				Bioorg Med Chem Lett 13: 3055-7 (2003) Article DOI: 10.1016/s0960-894x(03)00645-0 BindingDB Entry DOI: 10.7270/Q26T0JVK
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM8364 (CHEMBL260416 | N-[6-(3-bromo-4-hydroxyphenyl)-1H-p...) Show SMILES Oc1ccc(cc1Br)-c1ccc2c(NC(=O)C3CC3)n[nH]c2n1 Show InChI InChI=1S/C16H13BrN4O2/c17-11-7-9(3-6-13(11)22)12-5-4-10-14(18-12)20-21-15(10)19-16(23)8-1-2-8/h3-8,22H,1-2H2,(H2,18,19,20,21,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description In vitro kinase assay using purified CDK2/Cyclin A was incubated at room temperature with substrate, and test compounds in the presence of 100 uM ATP...				Bioorg Med Chem Lett 13: 3059-62 (2003) Article DOI: 10.1016/s0960-894x(03)00646-2 BindingDB Entry DOI: 10.7270/Q2348HKS
					More data for this Ligand-Target Pair				3D Structure (docked)
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM8365 (N-[6-(3-chloro-4-hydroxyphenyl)-1H-pyrazolo[3,4-b]...) Show SMILES Oc1ccc(cc1Cl)-c1ccc2c(NC(=O)C3CC3)n[nH]c2n1 Show InChI InChI=1S/C16H13ClN4O2/c17-11-7-9(3-6-13(11)22)12-5-4-10-14(18-12)20-21-15(10)19-16(23)8-1-2-8/h3-8,22H,1-2H2,(H2,18,19,20,21,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description In vitro kinase assay using purified CDK2/Cyclin A was incubated at room temperature with substrate, and test compounds in the presence of 100 uM ATP...				Bioorg Med Chem Lett 13: 3059-62 (2003) Article DOI: 10.1016/s0960-894x(03)00646-2 BindingDB Entry DOI: 10.7270/Q2348HKS
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 alpha (Homo sapiens (Human))	BDBM8357 (6-aryl-pyrazolo[3,4-b]pyridine analogue 21 | CHEMB...) Show SMILES CCN1CCN(CCCC(=O)Nc2n[nH]c3nc(c(Br)cc23)-c2ccc(O)cc2)CC1 Show InChI InChI=1S/C22H27BrN6O2/c1-2-28-10-12-29(13-11-28)9-3-4-19(31)24-21-17-14-18(23)20(25-22(17)27-26-21)15-5-7-16(30)8-6-15/h5-8,14,30H,2-4,9-13H2,1H3,(H2,24,25,26,27,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	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 10 uM ATP/ [gamma-33P] ATP. Aft...				Bioorg Med Chem Lett 13: 3055-7 (2003) Article DOI: 10.1016/s0960-894x(03)00645-0 BindingDB Entry DOI: 10.7270/Q26T0JVK
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 alpha (Homo sapiens (Human))	BDBM8357 (6-aryl-pyrazolo[3,4-b]pyridine analogue 21 | CHEMB...) Show SMILES CCN1CCN(CCCC(=O)Nc2n[nH]c3nc(c(Br)cc23)-c2ccc(O)cc2)CC1 Show InChI InChI=1S/C22H27BrN6O2/c1-2-28-10-12-29(13-11-28)9-3-4-19(31)24-21-17-14-18(23)20(25-22(17)27-26-21)15-5-7-16(30)8-6-15/h5-8,14,30H,2-4,9-13H2,1H3,(H2,24,25,26,27,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	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 10 uM ATP/ [gamma-33P] ATP. Aft...				Bioorg Med Chem Lett 13: 3055-7 (2003) Article DOI: 10.1016/s0960-894x(03)00645-0 BindingDB Entry DOI: 10.7270/Q26T0JVK
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 alpha (Homo sapiens (Human))	BDBM8330 (N-{5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl}butan...) Show SMILES CCCC(=O)Nc1n[nH]c2nnc(cc12)-c1ccccc1 Show InChI InChI=1S/C15H15N5O/c1-2-6-13(21)16-14-11-9-12(10-7-4-3-5-8-10)17-19-15(11)20-18-14/h3-5,7-9H,2,6H2,1H3,(H2,16,18,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	7.0	22
GlaxoSmithKline					Assay Description The biochemical activity of compounds was determined by incubation with specific enzyme and substrate in the presence 10 uM ATP/ [gamma-33P] ATP. Aft...				Bioorg Med Chem Lett 13: 1581-4 (2003) Article DOI: 10.1016/s0960-894x(03)00135-5 BindingDB Entry DOI: 10.7270/Q2BK19JV
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 alpha (Homo sapiens (Human))	BDBM8334 (5-(4-ethylpiperazin-1-yl)-N-{5-phenyl-1H-pyrazolo[...) Show SMILES CCN1CCN(CCCCC(=O)Nc2n[nH]c3nnc(cc23)-c2ccccc2)CC1 Show InChI InChI=1S/C22H29N7O/c1-2-28-12-14-29(15-13-28)11-7-6-10-20(30)23-21-18-16-19(17-8-4-3-5-9-17)24-26-22(18)27-25-21/h3-5,8-9,16H,2,6-7,10-15H2,1H3,(H2,23,25,26,27,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	7.0	22
GlaxoSmithKline					Assay Description The biochemical activity of compounds was determined by incubation with specific enzyme and substrate in the presence 10 uM ATP/ [gamma-33P] ATP. Aft...				Bioorg Med Chem Lett 13: 1581-4 (2003) Article DOI: 10.1016/s0960-894x(03)00135-5 BindingDB Entry DOI: 10.7270/Q2BK19JV
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM8349 (6-aryl-pyrazolo[3,4-b]pyridine analogue 13 | CHEMB...) Show SMILES Oc1ccc(cc1)-c1nc2[nH]nc(NC(=O)C3CC3)c2cc1Br Show InChI InChI=1S/C16H13BrN4O2/c17-12-7-11-14(18-13(12)8-3-5-10(22)6-4-8)20-21-15(11)19-16(23)9-1-2-9/h3-7,9,22H,1-2H2,(H2,18,19,20,21,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description In vitro kinase assay using purified CDK2/Cyclin A was incubated at room temperature with substrate, and test compounds in the presence of 100 uM ATP...				Bioorg Med Chem Lett 13: 3059-62 (2003) Article DOI: 10.1016/s0960-894x(03)00646-2 BindingDB Entry DOI: 10.7270/Q2348HKS
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM8348 (6-aryl-pyrazolo[3,4-b]pyridine analogue 12 | CHEMB...) Show SMILES Oc1ccc(cc1)-c1nc2[nH]nc(NC(=O)C3CC3)c2cc1-c1ccccc1 Show InChI InChI=1S/C22H18N4O2/c27-16-10-8-14(9-11-16)19-17(13-4-2-1-3-5-13)12-18-20(23-19)25-26-21(18)24-22(28)15-6-7-15/h1-5,8-12,15,27H,6-7H2,(H2,23,24,25,26,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description In vitro kinase assay using purified CDK2/Cyclin A was incubated at room temperature with substrate, and test compounds in the presence of 100 uM ATP...				Bioorg Med Chem Lett 13: 3059-62 (2003) Article DOI: 10.1016/s0960-894x(03)00646-2 BindingDB Entry DOI: 10.7270/Q2348HKS
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM8370 (N-[6-(4-hydroxyphenyl)-1H-indazol-3-yl]cyclopropan...) Show SMILES Oc1ccc(cc1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1 Show InChI InChI=1S/C17H15N3O2/c21-13-6-3-10(4-7-13)12-5-8-14-15(9-12)19-20-16(14)18-17(22)11-1-2-11/h3-9,11,21H,1-2H2,(H2,18,19,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description In vitro kinase assay using purified CDK2/Cyclin A was incubated at room temperature with substrate, and test compounds in the presence of 100 uM ATP...				Bioorg Med Chem Lett 13: 3059-62 (2003) Article DOI: 10.1016/s0960-894x(03)00646-2 BindingDB Entry DOI: 10.7270/Q2348HKS
					More data for this Ligand-Target Pair

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