Compile Data Set for Download or QSAR

Found 158 hits with Last Name = 'haigh' and Initial = 'd'   

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
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50287729 (3-{4-[2-(Benzooxazol-2-yl-methyl-amino)-ethoxy]-ph...) Show SMILES CN(CCOc1ccc(CC(Oc2ccccc2)C(O)=O)cc1)c1nc2ccccc2o1 Show InChI InChI=1S/C25H24N2O5/c1-27(25-26-21-9-5-6-10-22(21)32-25)15-16-30-19-13-11-18(12-14-19)17-23(24(28)29)31-20-7-3-2-4-8-20/h2-14,23H,15-17H2,1H3,(H,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description inhibition of [125I]-SB 236636 binding to human PPAR gamma receptor				Bioorg Med Chem Lett 6: 2121-2126 (1996) Article DOI: 10.1016/0960-894X(96)00383-6 BindingDB Entry DOI: 10.7270/Q2NS0TW1
					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
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50085043 (3-{4-[2-(Benzooxazol-2-yl-methyl-amino)-ethoxy]-ph...) Show SMILES CCOC(Cc1ccc(OCCN(C)c2nc3ccccc3o2)cc1)C(O)=O Show InChI InChI=1S/C21H24N2O5/c1-3-26-19(20(24)25)14-15-8-10-16(11-9-15)27-13-12-23(2)21-22-17-6-4-5-7-18(17)28-21/h4-11,19H,3,12-14H2,1-2H3,(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description inhibition of [125I]-SB 236636 binding to human PPAR gamma receptor				Bioorg Med Chem Lett 6: 2121-2126 (1996) Article DOI: 10.1016/0960-894X(96)00383-6 BindingDB Entry DOI: 10.7270/Q2NS0TW1
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50085043 (3-{4-[2-(Benzooxazol-2-yl-methyl-amino)-ethoxy]-ph...) Show SMILES CCOC(Cc1ccc(OCCN(C)c2nc3ccccc3o2)cc1)C(O)=O Show InChI InChI=1S/C21H24N2O5/c1-3-26-19(20(24)25)14-15-8-10-16(11-9-15)27-13-12-23(2)21-22-17-6-4-5-7-18(17)28-21/h4-11,19H,3,12-14H2,1-2H3,(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [125I]-SB 236636 binding to human PPAR gamma receptor				Bioorg Med Chem Lett 6: 2127-2130 (1996) Article DOI: 10.1016/0960-894X(96)00382-4 BindingDB Entry DOI: 10.7270/Q2J1034Z
					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
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
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
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50287732 (3-{4-[2-(Benzooxazol-2-yl-methyl-amino)-ethoxy]-ph...) Show SMILES COC(Cc1ccc(OCCN(C)c2nc3ccccc3o2)cc1)C(O)=O Show InChI InChI=1S/C20H22N2O5/c1-22(20-21-16-5-3-4-6-17(16)27-20)11-12-26-15-9-7-14(8-10-15)13-18(25-2)19(23)24/h3-10,18H,11-13H2,1-2H3,(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description inhibition of [125I]-SB 236636 binding to human PPAR gamma receptor				Bioorg Med Chem Lett 6: 2121-2126 (1996) Article DOI: 10.1016/0960-894X(96)00383-6 BindingDB Entry DOI: 10.7270/Q2NS0TW1
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50049244 (5-{4-[2-(Benzooxazol-2-yl-methyl-amino)-ethoxy]-be...) Show SMILES CN(CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1nc2ccccc2o1 Show InChI InChI=1S/C20H19N3O4S/c1-23(19-21-15-4-2-3-5-16(15)27-19)10-11-26-14-8-6-13(7-9-14)12-17-18(24)22-20(25)28-17/h2-9,24H,10-12H2,1H3,(H,22,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description inhibition of [125I]-SB 236636 binding to human PPAR gamma receptor				Bioorg Med Chem Lett 6: 2121-2126 (1996) Article DOI: 10.1016/0960-894X(96)00383-6 BindingDB Entry DOI: 10.7270/Q2NS0TW1
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50049244 (5-{4-[2-(Benzooxazol-2-yl-methyl-amino)-ethoxy]-be...) Show SMILES CN(CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1nc2ccccc2o1 Show InChI InChI=1S/C20H19N3O4S/c1-23(19-21-15-4-2-3-5-16(15)27-19)10-11-26-14-8-6-13(7-9-14)12-17-18(24)22-20(25)28-17/h2-9,24H,10-12H2,1H3,(H,22,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [125I]-SB 236636 binding to human PPAR gamma receptor				Bioorg Med Chem Lett 6: 2127-2130 (1996) Article DOI: 10.1016/0960-894X(96)00382-4 BindingDB Entry DOI: 10.7270/Q2J1034Z
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50287733 (2-{4-[2-(Benzooxazol-2-yl-methyl-amino)-ethoxy]-be...) Show SMILES CN(CCOc1ccc(CC(CCCc2ccccc2)C(O)=O)cc1)c1nc2ccccc2o1 Show InChI InChI=1S/C28H30N2O4/c1-30(28-29-25-12-5-6-13-26(25)34-28)18-19-33-24-16-14-22(15-17-24)20-23(27(31)32)11-7-10-21-8-3-2-4-9-21/h2-6,8-9,12-17,23H,7,10-11,18-20H2,1H3,(H,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [125I]-SB 236636 binding to human PPAR gamma receptor				Bioorg Med Chem Lett 6: 2127-2130 (1996) Article DOI: 10.1016/0960-894X(96)00382-4 BindingDB Entry DOI: 10.7270/Q2J1034Z
					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
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50287727 (3-{4-[2-(Benzooxazol-2-yl-methyl-amino)-ethoxy]-ph...) Show SMILES CN(CCOc1ccc(CC(Cl)C(O)=O)cc1)c1nc2ccccc2o1 Show InChI InChI=1S/C19H19ClN2O4/c1-22(19-21-16-4-2-3-5-17(16)26-19)10-11-25-14-8-6-13(7-9-14)12-15(20)18(23)24/h2-9,15H,10-12H2,1H3,(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description inhibition of [125I]-SB 236636 binding to human PPAR gamma receptor				Bioorg Med Chem Lett 6: 2121-2126 (1996) Article DOI: 10.1016/0960-894X(96)00383-6 BindingDB Entry DOI: 10.7270/Q2NS0TW1
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50287730 (3-{4-[2-(Benzooxazol-2-yl-methyl-amino)-ethoxy]-ph...) Show SMILES CN(CCOc1ccc(CC(Sc2ccccc2)C(O)=O)cc1)c1nc2ccccc2o1 Show InChI InChI=1S/C25H24N2O4S/c1-27(25-26-21-9-5-6-10-22(21)31-25)15-16-30-19-13-11-18(12-14-19)17-23(24(28)29)32-20-7-3-2-4-8-20/h2-14,23H,15-17H2,1H3,(H,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description inhibition of [125I]-SB 236636 binding to human PPAR gamma receptor				Bioorg Med Chem Lett 6: 2121-2126 (1996) Article DOI: 10.1016/0960-894X(96)00383-6 BindingDB Entry DOI: 10.7270/Q2NS0TW1
					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
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50287728 (3-{4-[2-(Benzooxazol-2-yl-methyl-amino)-ethoxy]-ph...) Show SMILES COC(=O)C(Cc1ccc(OCCN(C)c2nc3ccccc3o2)cc1)SC Show InChI InChI=1S/C21H24N2O4S/c1-23(21-22-17-6-4-5-7-18(17)27-21)12-13-26-16-10-8-15(9-11-16)14-19(28-3)20(24)25-2/h4-11,19H,12-14H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description inhibition of [125I]-SB 236636 binding to human PPAR gamma receptor				Bioorg Med Chem Lett 6: 2121-2126 (1996) Article DOI: 10.1016/0960-894X(96)00383-6 BindingDB Entry DOI: 10.7270/Q2NS0TW1
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50287734 (3-{4-[2-(Benzooxazol-2-yl-methyl-amino)-ethoxy]-ph...) Show SMILES CC(Cc1ccc(OCCN(C)c2nc3ccccc3o2)cc1)C(O)=O Show InChI InChI=1S/C20H22N2O4/c1-14(19(23)24)13-15-7-9-16(10-8-15)25-12-11-22(2)20-21-17-5-3-4-6-18(17)26-20/h3-10,14H,11-13H2,1-2H3,(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [125I]-SB 236636 binding to human PPAR gamma receptor				Bioorg Med Chem Lett 6: 2127-2130 (1996) Article DOI: 10.1016/0960-894X(96)00382-4 BindingDB Entry DOI: 10.7270/Q2J1034Z
					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
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50085045 (5-((4-((6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-...) Show SMILES Cc1c(C)c2OC(C)(COc3ccc(Cc4sc(=O)[nH]c4O)cc3)CCc2c(C)c1O Show InChI InChI=1S/C24H27NO5S/c1-13-14(2)21-18(15(3)20(13)26)9-10-24(4,30-21)12-29-17-7-5-16(6-8-17)11-19-22(27)25-23(28)31-19/h5-8,26-27H,9-12H2,1-4H3,(H,25,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description inhibition of [125I]-SB 236636 binding to human PPAR gamma receptor				Bioorg Med Chem Lett 6: 2121-2126 (1996) Article DOI: 10.1016/0960-894X(96)00383-6 BindingDB Entry DOI: 10.7270/Q2NS0TW1
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50287731 (3-{4-[2-(Benzooxazol-2-yl-methyl-amino)-ethoxy]-ph...) Show SMILES COC(=O)CCc1ccc(OCCN(C)c2nc3ccccc3o2)cc1 Show InChI InChI=1S/C20H22N2O4/c1-22(20-21-17-5-3-4-6-18(17)26-20)13-14-25-16-10-7-15(8-11-16)9-12-19(23)24-2/h3-8,10-11H,9,12-14H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description inhibition of [125I]-SB 236636 binding to human PPAR gamma receptor				Bioorg Med Chem Lett 6: 2121-2126 (1996) Article DOI: 10.1016/0960-894X(96)00383-6 BindingDB Entry DOI: 10.7270/Q2NS0TW1
					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))	BDBM8332 (4-(morpholin-4-yl)-N-{5-phenyl-1H-pyrazolo[3,4-c]p...) Show SMILES O=C(CCCN1CCOCC1)Nc1n[nH]c2nnc(cc12)-c1ccccc1 Show InChI InChI=1S/C19H22N6O2/c26-17(7-4-8-25-9-11-27-12-10-25)20-18-15-13-16(14-5-2-1-3-6-14)21-23-19(15)24-22-18/h1-3,5-6,13H,4,7-12H2,(H2,20,22,23,24,26)	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	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
Glycogen synthase kinase-3 alpha (Homo sapiens (Human))	BDBM8335 (N-[5-(2,3-difluorophenyl)-1H-pyrazolo[3,4-c]pyrida...) Show SMILES CN(C)CCCC(=O)Nc1n[nH]c2nnc(cc12)-c1cccc(F)c1F Show InChI InChI=1S/C17H18F2N6O/c1-25(2)8-4-7-14(26)20-16-11-9-13(21-23-17(11)24-22-16)10-5-3-6-12(18)15(10)19/h3,5-6,9H,4,7-8H2,1-2H3,(H2,20,22,23,24,26)	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	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))	BDBM8331 (4-(4-ethylpiperazin-1-yl)-N-{5-phenyl-1H-pyrazolo[...) Show SMILES CCN1CCN(CCCC(=O)Nc2n[nH]c3nnc(cc23)-c2ccccc2)CC1 Show InChI InChI=1S/C21H27N7O/c1-2-27-11-13-28(14-12-27)10-6-9-19(29)22-20-17-15-18(16-7-4-3-5-8-16)23-25-21(17)26-24-20/h3-5,7-8,15H,2,6,9-14H2,1H3,(H2,22,24,25,26,29)	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	7	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))	BDBM8333 (1-methyl-N-{5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3...) Show SMILES CN1CCC(CC1)C(=O)Nc1n[nH]c2nnc(cc12)-c1ccccc1 Show InChI InChI=1S/C18H20N6O/c1-24-9-7-13(8-10-24)18(25)19-16-14-11-15(12-5-3-2-4-6-12)20-22-17(14)23-21-16/h2-6,11,13H,7-10H2,1H3,(H2,19,21,22,23,25)	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	9	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
Capsid scaffolding protein (Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)	BDBM50082152 (2-[4-(4-Hydroxyamino-benzoyl)-benzyl]-5-methyl-thi...) Show SMILES Cc1csc2nc(Cc3ccc(cc3)C(=O)c3ccc(NO)cc3)oc(=O)c12 Show InChI InChI=1S/C21H16N2O4S/c1-12-11-28-20-18(12)21(25)27-17(22-20)10-13-2-4-14(5-3-13)19(24)15-6-8-16(23-26)9-7-15/h2-9,11,23,26H,10H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against Human Cytomegalovirus (hCMV) protease				Bioorg Med Chem Lett 9: 3137-42 (1999) BindingDB Entry DOI: 10.7270/Q20V8D98
					More data for this Ligand-Target Pair
Capsid scaffolding protein (Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)	BDBM50082154 (2-[4-(3-Hydroxyamino-benzoyl)-benzyl]-5-methyl-thi...) Show SMILES Cc1csc2nc(Cc3ccc(cc3)C(=O)c3cccc(NO)c3)oc(=O)c12 Show InChI InChI=1S/C21H16N2O4S/c1-12-11-28-20-18(12)21(25)27-17(22-20)9-13-5-7-14(8-6-13)19(24)15-3-2-4-16(10-15)23-26/h2-8,10-11,23,26H,9H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against Human Cytomegalovirus (hCMV) protease				Bioorg Med Chem Lett 9: 3137-42 (1999) BindingDB Entry DOI: 10.7270/Q20V8D98
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 alpha (Homo sapiens (Human))	BDBM8255 (3-[(3,5-dichloro-4-hydroxyphenyl)amino]-4-(3-nitro...) Show SMILES Oc1c(Cl)cc(NC2=C(C(=O)NC2=O)c2cccc(c2)N(=O)=O)cc1Cl |t:7| Show InChI InChI=1S/C16H9Cl2N3O5/c17-10-5-8(6-11(18)14(10)22)19-13-12(15(23)20-16(13)24)7-2-1-3-9(4-7)21(25)26/h1-6,22H,(H2,19,20,23,24)	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	20	n/a	n/a	n/a	n/a	n/a	n/a
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...				Bioorg Med Chem Lett 11: 635-9 (2001) Article DOI: 10.1016/s0960-894x(00)00721-6 BindingDB Entry DOI: 10.7270/Q2QV3JRC
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 alpha (Homo sapiens (Human))	BDBM8271 (2-chloro-5-{[4-(3-nitrophenyl)-2,5-dioxo-2,5-dihyd...) Show SMILES OC(=O)c1cc(NC2=C(C(=O)NC2=O)c2cccc(c2)N(=O)=O)ccc1Cl |t:7| Show InChI InChI=1S/C17H10ClN3O6/c18-12-5-4-9(7-11(12)17(24)25)19-14-13(15(22)20-16(14)23)8-2-1-3-10(6-8)21(26)27/h1-7H,(H,24,25)(H2,19,20,22,23)	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	26	n/a	n/a	n/a	n/a	n/a	n/a
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...				Bioorg Med Chem Lett 11: 635-9 (2001) Article DOI: 10.1016/s0960-894x(00)00721-6 BindingDB Entry DOI: 10.7270/Q2QV3JRC
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 alpha (Homo sapiens (Human))	BDBM8268 (2-chloro-5-{[4-(2-nitrophenyl)-2,5-dioxo-2,5-dihyd...) Show SMILES OC(=O)c1cc(NC2=C(C(=O)NC2=O)c2ccccc2N(=O)=O)ccc1Cl |t:7| Show InChI InChI=1S/C17H10ClN3O6/c18-11-6-5-8(7-10(11)17(24)25)19-14-13(15(22)20-16(14)23)9-3-1-2-4-12(9)21(26)27/h1-7H,(H,24,25)(H2,19,20,22,23)	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	28	n/a	n/a	n/a	n/a	n/a	n/a
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...				Bioorg Med Chem Lett 11: 635-9 (2001) Article DOI: 10.1016/s0960-894x(00)00721-6 BindingDB Entry DOI: 10.7270/Q2QV3JRC
					More data for this Ligand-Target Pair
Capsid scaffolding protein (Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)	BDBM50082153 (3-Hydroxyamino-N-[3-(5-methyl-4-oxo-4H-thieno[2,3-...) Show SMILES Cc1csc2nc(Cc3cccc(NC(=O)c4cccc(NO)c4)c3)oc(=O)c12 Show InChI InChI=1S/C21H17N3O4S/c1-12-11-29-20-18(12)21(26)28-17(23-20)9-13-4-2-6-15(8-13)22-19(25)14-5-3-7-16(10-14)24-27/h2-8,10-11,24,27H,9H2,1H3,(H,22,25)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against Human Cytomegalovirus (hCMV) protease				Bioorg Med Chem Lett 9: 3137-42 (1999) BindingDB Entry DOI: 10.7270/Q20V8D98
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 alpha (Homo sapiens (Human))	BDBM8252 (3-[(3,5-dichloro-4-hydroxyphenyl)amino]-4-(2-nitro...) Show SMILES Oc1c(Cl)cc(NC2=C(C(=O)NC2=O)c2ccccc2N(=O)=O)cc1Cl |t:7| Show InChI InChI=1S/C16H9Cl2N3O5/c17-9-5-7(6-10(18)14(9)22)19-13-12(15(23)20-16(13)24)8-3-1-2-4-11(8)21(25)26/h1-6,22H,(H2,19,20,23,24)	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	52	n/a	n/a	n/a	n/a	n/a	n/a
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...				Bioorg Med Chem Lett 11: 635-9 (2001) Article DOI: 10.1016/s0960-894x(00)00721-6 BindingDB Entry DOI: 10.7270/Q2QV3JRC
					More data for this Ligand-Target Pair
Capsid scaffolding protein (Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)	BDBM50082157 (5-Methyl-2-[4-(3-nitroso-benzoyl)-benzyl]-thieno[2...) Show SMILES Cc1csc2nc(Cc3ccc(cc3)C(=O)c3cccc(c3)N=O)oc(=O)c12 Show InChI InChI=1S/C21H14N2O4S/c1-12-11-28-20-18(12)21(25)27-17(22-20)9-13-5-7-14(8-6-13)19(24)15-3-2-4-16(10-15)23-26/h2-8,10-11H,9H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against Human Cytomegalovirus (hCMV) protease				Bioorg Med Chem Lett 9: 3137-42 (1999) BindingDB Entry DOI: 10.7270/Q20V8D98
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 alpha (Homo sapiens (Human))	BDBM8253 (3-(3-chlorophenyl)-4-[(3,5-dichloro-4-hydroxypheny...) Show SMILES Oc1c(Cl)cc(NC2=C(C(=O)NC2=O)c2cccc(Cl)c2)cc1Cl |t:7| Show InChI InChI=1S/C16H9Cl3N2O3/c17-8-3-1-2-7(4-8)12-13(16(24)21-15(12)23)20-9-5-10(18)14(22)11(19)6-9/h1-6,22H,(H2,20,21,23,24)	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	58	n/a	n/a	n/a	n/a	n/a	n/a
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...				Bioorg Med Chem Lett 11: 635-9 (2001) Article DOI: 10.1016/s0960-894x(00)00721-6 BindingDB Entry DOI: 10.7270/Q2QV3JRC
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 alpha (Homo sapiens (Human))	BDBM8247 (3-[(3-chloro-4-hydroxyphenyl)amino]-4-(3-nitrophen...) Show SMILES Oc1ccc(NC2=C(C(=O)NC2=O)c2cccc(c2)N(=O)=O)cc1Cl |t:6| Show InChI InChI=1S/C16H10ClN3O5/c17-11-7-9(4-5-12(11)21)18-14-13(15(22)19-16(14)23)8-2-1-3-10(6-8)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	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	59	n/a	n/a	n/a	n/a	n/a	n/a
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...				Bioorg Med Chem Lett 11: 635-9 (2001) Article DOI: 10.1016/s0960-894x(00)00721-6 BindingDB Entry DOI: 10.7270/Q2QV3JRC
					More data for this Ligand-Target Pair
Capsid scaffolding protein (Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)	BDBM50082155 (4-Hydroxyamino-N-[3-(5-methyl-4-oxo-4H-thieno[2,3-...) Show SMILES Cc1csc2nc(Cc3cccc(NC(=O)c4ccc(NO)cc4)c3)oc(=O)c12 Show InChI InChI=1S/C21H17N3O4S/c1-12-11-29-20-18(12)21(26)28-17(23-20)10-13-3-2-4-16(9-13)22-19(25)14-5-7-15(24-27)8-6-14/h2-9,11,24,27H,10H2,1H3,(H,22,25)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against Human Cytomegalovirus (hCMV) protease				Bioorg Med Chem Lett 9: 3137-42 (1999) BindingDB Entry DOI: 10.7270/Q20V8D98
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 alpha (Homo sapiens (Human))	BDBM8229 (3-[(3-chlorophenyl)amino]-4-(3-nitrophenyl)-2,5-di...) Show SMILES Clc1cccc(NC2=C(C(=O)NC2=O)c2cccc(c2)N(=O)=O)c1 |t:7| Show InChI InChI=1S/C16H10ClN3O4/c17-10-4-2-5-11(8-10)18-14-13(15(21)19-16(14)22)9-3-1-6-12(7-9)20(23)24/h1-8H,(H2,18,19,21,22)	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	70	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...				Bioorg Med Chem Lett 11: 635-9 (2001) Article DOI: 10.1016/s0960-894x(00)00721-6 BindingDB Entry DOI: 10.7270/Q2QV3JRC
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 alpha (Homo sapiens (Human))	BDBM8258 (3-[(3,5-dichloro-4-hydroxyphenyl)amino]-4-(4-nitro...) Show SMILES Oc1c(Cl)cc(NC2=C(C(=O)NC2=O)c2ccc(cc2)N(=O)=O)cc1Cl |t:7| Show InChI InChI=1S/C16H9Cl2N3O5/c17-10-5-8(6-11(18)14(10)22)19-13-12(15(23)20-16(13)24)7-1-3-9(4-2-7)21(25)26/h1-6,22H,(H2,19,20,23,24)	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	71	n/a	n/a	n/a	n/a	n/a	n/a
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...				Bioorg Med Chem Lett 11: 635-9 (2001) Article DOI: 10.1016/s0960-894x(00)00721-6 BindingDB Entry DOI: 10.7270/Q2QV3JRC
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 alpha (Homo sapiens (Human))	BDBM8267 (2-chloro-5-{[4-(2-chlorophenyl)-2,5-dioxo-2,5-dihy...) Show SMILES OC(=O)c1cc(NC2=C(C(=O)NC2=O)c2ccccc2Cl)ccc1Cl |t:7| Show InChI InChI=1S/C17H10Cl2N2O4/c18-11-4-2-1-3-9(11)13-14(16(23)21-15(13)22)20-8-5-6-12(19)10(7-8)17(24)25/h1-7H,(H,24,25)(H2,20,21,22,23)	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	74	n/a	n/a	n/a	n/a	n/a	n/a
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...				Bioorg Med Chem Lett 11: 635-9 (2001) Article DOI: 10.1016/s0960-894x(00)00721-6 BindingDB Entry DOI: 10.7270/Q2QV3JRC
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 alpha (Homo sapiens (Human))	BDBM8269 (2-chloro-5-{[4-(3-chlorophenyl)-2,5-dioxo-2,5-dihy...) Show SMILES OC(=O)c1cc(NC2=C(C(=O)NC2=O)c2cccc(Cl)c2)ccc1Cl |t:7| Show InChI InChI=1S/C17H10Cl2N2O4/c18-9-3-1-2-8(6-9)13-14(16(23)21-15(13)22)20-10-4-5-12(19)11(7-10)17(24)25/h1-7H,(H,24,25)(H2,20,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	76	n/a	n/a	n/a	n/a	n/a	n/a
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...				Bioorg Med Chem Lett 11: 635-9 (2001) Article DOI: 10.1016/s0960-894x(00)00721-6 BindingDB Entry DOI: 10.7270/Q2QV3JRC
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 alpha (Homo sapiens (Human))	BDBM8263 (3-{[4-(3-nitrophenyl)-2,5-dioxo-2,5-dihydro-1H-pyr...) Show SMILES OC(=O)c1cccc(NC2=C(C(=O)NC2=O)c2cccc(c2)N(=O)=O)c1 |t:9| Show InChI InChI=1S/C17H11N3O6/c21-15-13(9-3-2-6-12(8-9)20(25)26)14(16(22)19-15)18-11-5-1-4-10(7-11)17(23)24/h1-8H,(H,23,24)(H2,18,19,21,22)	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	79	n/a	n/a	n/a	n/a	n/a	n/a
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...				Bioorg Med Chem Lett 11: 635-9 (2001) Article DOI: 10.1016/s0960-894x(00)00721-6 BindingDB Entry DOI: 10.7270/Q2QV3JRC
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 alpha (Homo sapiens (Human))	BDBM8251 (3-[(3,5-dichloro-4-hydroxyphenyl)amino]-4-(2-metho...) Show SMILES COc1ccccc1C1=C(Nc2cc(Cl)c(O)c(Cl)c2)C(=O)NC1=O |c:9| Show InChI InChI=1S/C17H12Cl2N2O4/c1-25-12-5-3-2-4-9(12)13-14(17(24)21-16(13)23)20-8-6-10(18)15(22)11(19)7-8/h2-7,22H,1H3,(H2,20,21,23,24)	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	82	n/a	n/a	n/a	n/a	n/a	n/a
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...				Bioorg Med Chem Lett 11: 635-9 (2001) Article DOI: 10.1016/s0960-894x(00)00721-6 BindingDB Entry DOI: 10.7270/Q2QV3JRC
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 alpha (Homo sapiens (Human))	BDBM8257 (3-[(3,5-dichloro-4-hydroxyphenyl)amino]-4-(4-metho...) Show SMILES COc1ccc(cc1)C1=C(Nc2cc(Cl)c(O)c(Cl)c2)C(=O)NC1=O |c:9| Show InChI InChI=1S/C17H12Cl2N2O4/c1-25-10-4-2-8(3-5-10)13-14(17(24)21-16(13)23)20-9-6-11(18)15(22)12(19)7-9/h2-7,22H,1H3,(H2,20,21,23,24)	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	83	n/a	n/a	n/a	n/a	n/a	n/a
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...				Bioorg Med Chem Lett 11: 635-9 (2001) Article DOI: 10.1016/s0960-894x(00)00721-6 BindingDB Entry DOI: 10.7270/Q2QV3JRC
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 alpha (Homo sapiens (Human))	BDBM8270 (2-chloro-5-{[4-(3-methoxyphenyl)-2,5-dioxo-2,5-dih...) Show SMILES COc1cccc(c1)C1=C(Nc2ccc(Cl)c(c2)C(O)=O)C(=O)NC1=O |c:9| Show InChI InChI=1S/C18H13ClN2O5/c1-26-11-4-2-3-9(7-11)14-15(17(23)21-16(14)22)20-10-5-6-13(19)12(8-10)18(24)25/h2-8H,1H3,(H,24,25)(H2,20,21,22,23)	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	85	n/a	n/a	n/a	n/a	n/a	n/a
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...				Bioorg Med Chem Lett 11: 635-9 (2001) Article DOI: 10.1016/s0960-894x(00)00721-6 BindingDB Entry DOI: 10.7270/Q2QV3JRC
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 alpha (Homo sapiens (Human))	BDBM8256 (3-(4-chlorophenyl)-4-[(3,5-dichloro-4-hydroxypheny...) Show SMILES Oc1c(Cl)cc(NC2=C(C(=O)NC2=O)c2ccc(Cl)cc2)cc1Cl |t:7| Show InChI InChI=1S/C16H9Cl3N2O3/c17-8-3-1-7(2-4-8)12-13(16(24)21-15(12)23)20-9-5-10(18)14(22)11(19)6-9/h1-6,22H,(H2,20,21,23,24)	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	91	n/a	n/a	n/a	n/a	n/a	n/a
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...				Bioorg Med Chem Lett 11: 635-9 (2001) Article DOI: 10.1016/s0960-894x(00)00721-6 BindingDB Entry DOI: 10.7270/Q2QV3JRC
					More data for this Ligand-Target Pair

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