Compile Data Set for Download or QSAR

Found 16 hits Enz. Inhib. hit(s) with all data for entry = 1043   

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))	BDBM8296 (3-(2,4-dichlorophenyl)-4-(1-methyl-1H-indol-3-yl)-...) Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2ccc(Cl)cc2Cl)c2ccccc12 |t:4| Show InChI InChI=1S/C19H12Cl2N2O2/c1-23-9-13(11-4-2-3-5-15(11)23)17-16(18(24)22-19(17)25)12-7-6-10(20)8-14(12)21/h2-9H,1H3,(H,22,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	9.10	-45.4	34.3	n/a	n/a	n/a	n/a	7.0	22
SmithKline Beecham Pharmaceuticals					Assay Description In vitro kinase inhibition assay using purified GSK-3 alpha from insect cells, was incubated at room temperature with substrate, and test compounds i...				Chem Biol 7: 793-803 (2000) Article DOI: 10.1016/s1074-5521(00)00025-9 BindingDB Entry DOI: 10.7270/Q2M32T0X
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 alpha (Homo sapiens (Human))	BDBM8297 (3-[(3-chloro-4-hydroxyphenyl)amino]-4-(2-nitrophen...) Show SMILES Oc1ccc(NC2=C(C(=O)NC2=O)c2ccccc2N(=O)=O)cc1Cl |t:6| Show InChI InChI=1S/C16H10ClN3O5/c17-10-7-8(5-6-12(10)21)18-14-13(15(22)19-16(14)23)9-3-1-2-4-11(9)20(24)25/h1-7,21H,(H2,18,19,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	30.8	-42.4	77.5	n/a	n/a	n/a	n/a	7.0	22
SmithKline Beecham Pharmaceuticals					Assay Description In vitro kinase inhibition assay using purified GSK-3 alpha from insect cells, was incubated at room temperature with substrate, and test compounds i...				Chem Biol 7: 793-803 (2000) Article DOI: 10.1016/s1074-5521(00)00025-9 BindingDB Entry DOI: 10.7270/Q2M32T0X
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 alpha (Homo sapiens (Human))	BDBM8288 (3-(2,3-dihydro-1H-indol-1-yl)-4-(2-nitrophenyl)-2,...) Show SMILES O=C1NC(=O)C(=C1N1CCc2ccccc12)c1ccccc1N(=O)=O |c:5| Show InChI InChI=1S/C18H13N3O4/c22-17-15(12-6-2-4-8-14(12)21(24)25)16(18(23)19-17)20-10-9-11-5-1-3-7-13(11)20/h1-8H,9-10H2,(H,19,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	131	n/a	n/a	n/a	n/a	7.0	22
SmithKline Beecham Pharmaceuticals					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...				Chem Biol 7: 793-803 (2000) Article DOI: 10.1016/s1074-5521(00)00025-9 BindingDB Entry DOI: 10.7270/Q2M32T0X
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 alpha (Homo sapiens (Human))	BDBM8290 (3-(2,3-dihydro-1H-indol-1-yl)-4-(3-nitrophenyl)-2,...) Show SMILES O=C1NC(=O)C(=C1N1CCc2ccccc12)c1cccc(c1)N(=O)=O |c:5| Show InChI InChI=1S/C18H13N3O4/c22-17-15(12-5-3-6-13(10-12)21(24)25)16(18(23)19-17)20-9-8-11-4-1-2-7-14(11)20/h1-7,10H,8-9H2,(H,19,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	161	n/a	n/a	n/a	n/a	7.0	22
SmithKline Beecham Pharmaceuticals					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...				Chem Biol 7: 793-803 (2000) Article DOI: 10.1016/s1074-5521(00)00025-9 BindingDB Entry DOI: 10.7270/Q2M32T0X
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 alpha (Homo sapiens (Human))	BDBM8287 (3-(2,3-dihydro-1H-indol-1-yl)-4-(2-methoxyphenyl)-...) Show SMILES COc1ccccc1C1=C(N2CCc3ccccc23)C(=O)NC1=O |c:9| Show InChI InChI=1S/C19H16N2O3/c1-24-15-9-5-3-7-13(15)16-17(19(23)20-18(16)22)21-11-10-12-6-2-4-8-14(12)21/h2-9H,10-11H2,1H3,(H,20,22,23)	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	187	n/a	n/a	n/a	n/a	7.0	22
SmithKline Beecham Pharmaceuticals					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...				Chem Biol 7: 793-803 (2000) Article DOI: 10.1016/s1074-5521(00)00025-9 BindingDB Entry DOI: 10.7270/Q2M32T0X
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 alpha (Homo sapiens (Human))	BDBM8286 (3-(2-chlorophenyl)-4-(2,3-dihydro-1H-indol-1-yl)-2...) Show SMILES Clc1ccccc1C1=C(N2CCc3ccccc23)C(=O)NC1=O |c:8| Show InChI InChI=1S/C18H13ClN2O2/c19-13-7-3-2-6-12(13)15-16(18(23)20-17(15)22)21-10-9-11-5-1-4-8-14(11)21/h1-8H,9-10H2,(H,20,22,23)	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	337	n/a	n/a	n/a	n/a	7.0	22
SmithKline Beecham Pharmaceuticals					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...				Chem Biol 7: 793-803 (2000) Article DOI: 10.1016/s1074-5521(00)00025-9 BindingDB Entry DOI: 10.7270/Q2M32T0X
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 alpha (Homo sapiens (Human))	BDBM8289 (3-(3-chlorophenyl)-4-(2,3-dihydro-1H-indol-1-yl)-2...) Show SMILES Clc1cccc(c1)C1=C(N2CCc3ccccc23)C(=O)NC1=O |c:8| Show InChI InChI=1S/C18H13ClN2O2/c19-13-6-3-5-12(10-13)15-16(18(23)20-17(15)22)21-9-8-11-4-1-2-7-14(11)21/h1-7,10H,8-9H2,(H,20,22,23)	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	460	n/a	n/a	n/a	n/a	7.0	22
SmithKline Beecham Pharmaceuticals					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...				Chem Biol 7: 793-803 (2000) Article DOI: 10.1016/s1074-5521(00)00025-9 BindingDB Entry DOI: 10.7270/Q2M32T0X
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 alpha (Homo sapiens (Human))	BDBM8292 (3-(2,3-dihydro-1H-indol-1-yl)-4-(4-methoxyphenyl)-...) Show SMILES COc1ccc(cc1)C1=C(N2CCc3ccccc23)C(=O)NC1=O |c:9| Show InChI InChI=1S/C19H16N2O3/c1-24-14-8-6-13(7-9-14)16-17(19(23)20-18(16)22)21-11-10-12-4-2-3-5-15(12)21/h2-9H,10-11H2,1H3,(H,20,22,23)	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	694	n/a	n/a	n/a	n/a	7.0	22
SmithKline Beecham Pharmaceuticals					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...				Chem Biol 7: 793-803 (2000) Article DOI: 10.1016/s1074-5521(00)00025-9 BindingDB Entry DOI: 10.7270/Q2M32T0X
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 alpha (Homo sapiens (Human))	BDBM8284 (3-[methyl(phenyl)amino]-4-(3-nitrophenyl)-2,5-dihy...) Show SMILES CN(C1=C(C(=O)NC1=O)c1cccc(c1)N(=O)=O)c1ccccc1 |t:2| Show InChI InChI=1S/C17H13N3O4/c1-19(12-7-3-2-4-8-12)15-14(16(21)18-17(15)22)11-6-5-9-13(10-11)20(23)24/h2-10H,1H3,(H,18,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	7.0	22
SmithKline Beecham Pharmaceuticals					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...				Chem Biol 7: 793-803 (2000) Article DOI: 10.1016/s1074-5521(00)00025-9 BindingDB Entry DOI: 10.7270/Q2M32T0X
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 alpha (Homo sapiens (Human))	BDBM8291 (3-(4-chlorophenyl)-4-(2,3-dihydro-1H-indol-1-yl)-2...) Show SMILES Clc1ccc(cc1)C1=C(N2CCc3ccccc23)C(=O)NC1=O |c:8| Show InChI InChI=1S/C18H13ClN2O2/c19-13-7-5-12(6-8-13)15-16(18(23)20-17(15)22)21-10-9-11-3-1-2-4-14(11)21/h1-8H,9-10H2,(H,20,22,23)	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	1.41E+3	n/a	n/a	n/a	n/a	7.0	22
SmithKline Beecham Pharmaceuticals					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...				Chem Biol 7: 793-803 (2000) Article DOI: 10.1016/s1074-5521(00)00025-9 BindingDB Entry DOI: 10.7270/Q2M32T0X
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 alpha (Homo sapiens (Human))	BDBM8285 (3-(4-chlorophenyl)-4-[methyl(phenyl)amino]-2,5-dih...) Show SMILES CN(C1=C(C(=O)NC1=O)c1ccc(Cl)cc1)c1ccccc1 |t:2| Show InChI InChI=1S/C17H13ClN2O2/c1-20(13-5-3-2-4-6-13)15-14(16(21)19-17(15)22)11-7-9-12(18)10-8-11/h2-10H,1H3,(H,19,21,22)	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	2.29E+3	n/a	n/a	n/a	n/a	7.0	22
SmithKline Beecham Pharmaceuticals					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...				Chem Biol 7: 793-803 (2000) Article DOI: 10.1016/s1074-5521(00)00025-9 BindingDB Entry DOI: 10.7270/Q2M32T0X
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 alpha (Homo sapiens (Human))	BDBM8282 (3-[methyl(phenyl)amino]-4-phenyl-2,5-dihydro-1H-py...) Show SMILES CN(C1=C(C(=O)NC1=O)c1ccccc1)c1ccccc1 |t:2| Show InChI InChI=1S/C17H14N2O2/c1-19(13-10-6-3-7-11-13)15-14(16(20)18-17(15)21)12-8-4-2-5-9-12/h2-11H,1H3,(H,18,20,21)	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	2.61E+3	n/a	n/a	n/a	n/a	7.0	22
SmithKline Beecham Pharmaceuticals					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...				Chem Biol 7: 793-803 (2000) Article DOI: 10.1016/s1074-5521(00)00025-9 BindingDB Entry DOI: 10.7270/Q2M32T0X
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 alpha (Homo sapiens (Human))	BDBM8295 (3-(4-chlorophenyl)-4-[(3,5-dichloro-4-hydroxypheny...) Show SMILES CN1C(=O)C(Nc2cc(Cl)c(O)c(Cl)c2)=C(C1=O)c1ccc(Cl)cc1 |c:15| Show InChI InChI=1S/C17H11Cl3N2O3/c1-22-16(24)13(8-2-4-9(18)5-3-8)14(17(22)25)21-10-6-11(19)15(23)12(20)7-10/h2-7,21,23H,1H3	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	>3.00E+3	n/a	n/a	n/a	n/a	7.0	22
SmithKline Beecham Pharmaceuticals					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...				Chem Biol 7: 793-803 (2000) Article DOI: 10.1016/s1074-5521(00)00025-9 BindingDB Entry DOI: 10.7270/Q2M32T0X
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 alpha (Homo sapiens (Human))	BDBM8283 (3-(3-methoxyphenyl)-4-[methyl(phenyl)amino]-2,5-di...) Show SMILES COc1cccc(c1)C1=C(N(C)c2ccccc2)C(=O)NC1=O |c:9| Show InChI InChI=1S/C18H16N2O3/c1-20(13-8-4-3-5-9-13)16-15(17(21)19-18(16)22)12-7-6-10-14(11-12)23-2/h3-11H,1-2H3,(H,19,21,22)	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	>4.50E+3	n/a	n/a	n/a	n/a	7.0	22
SmithKline Beecham Pharmaceuticals					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...				Chem Biol 7: 793-803 (2000) Article DOI: 10.1016/s1074-5521(00)00025-9 BindingDB Entry DOI: 10.7270/Q2M32T0X
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 alpha (Homo sapiens (Human))	BDBM8294 (2-chloro-5-{[4-(4-chlorophenyl)-1-methyl-2,5-dioxo...) Show SMILES CN1C(=O)C(Nc2ccc(Cl)c(c2)C(O)=O)=C(C1=O)c1ccc(Cl)cc1 |c:16| Show InChI InChI=1S/C18H12Cl2N2O4/c1-22-16(23)14(9-2-4-10(19)5-3-9)15(17(22)24)21-11-6-7-13(20)12(8-11)18(25)26/h2-8,21H,1H3,(H,25,26)	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	>5.00E+3	n/a	n/a	n/a	n/a	7.0	22
SmithKline Beecham Pharmaceuticals					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...				Chem Biol 7: 793-803 (2000) Article DOI: 10.1016/s1074-5521(00)00025-9 BindingDB Entry DOI: 10.7270/Q2M32T0X
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 alpha (Homo sapiens (Human))	BDBM8293 (1-methyl-3-phenyl-4-(phenylamino)-2,5-dihydro-1H-p...) Show SMILES CN1C(=O)C(Nc2ccccc2)=C(C1=O)c1ccccc1 |c:12| Show InChI InChI=1S/C17H14N2O2/c1-19-16(20)14(12-8-4-2-5-9-12)15(17(19)21)18-13-10-6-3-7-11-13/h2-11,18H,1H3	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	>5.00E+3	n/a	n/a	n/a	n/a	7.0	22
SmithKline Beecham Pharmaceuticals					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...				Chem Biol 7: 793-803 (2000) Article DOI: 10.1016/s1074-5521(00)00025-9 BindingDB Entry DOI: 10.7270/Q2M32T0X
					More data for this Ligand-Target Pair