Compile Data Set for Download or QSAR

Found 1032 hits with Last Name = 'thomson' and Initial = 'sa'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM8143 (N-[3-bromo-5-(trifluoromethyl)phenyl]-4-{pyrazolo[...) Show SMILES FC(F)(F)c1cc(Br)cc(Nc2nccc(n2)-c2cnn3ncccc23)c1 Show InChI InChI=1S/C17H10BrF3N6/c18-11-6-10(17(19,20)21)7-12(8-11)25-16-22-5-3-14(26-16)13-9-24-27-15(13)2-1-4-23-27/h1-9H,(H,22,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.300	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description The biochemical activity of compounds was determined by incubation with specific enzyme and substrate in the presence 2.5 uM ATP/ [gamma-32P] ATP. Af...				J Med Chem 47: 4716-30 (2004) Article DOI: 10.1021/jm040063i BindingDB Entry DOI: 10.7270/Q2VM49HJ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM8145 (N-(3,5-dichlorophenyl)-4-{pyrazolo[1,5-a]pyridazin...) Show SMILES Clc1cc(Cl)cc(Nc2nccc(n2)-c2cnn3ncccc23)c1 Show InChI InChI=1S/C16H10Cl2N6/c17-10-6-11(18)8-12(7-10)22-16-19-5-3-14(23-16)13-9-21-24-15(13)2-1-4-20-24/h1-9H,(H,19,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	1	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description The biochemical activity of compounds was determined by incubation with specific enzyme and substrate in the presence 2.5 uM ATP/ [gamma-32P] ATP. Af...				J Med Chem 47: 4716-30 (2004) Article DOI: 10.1021/jm040063i BindingDB Entry DOI: 10.7270/Q2VM49HJ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM8138 (N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-{pyraz...) Show SMILES C1COc2ccc(Nc3nccc(n3)-c3cnn4ncccc34)cc2OC1 Show InChI InChI=1S/C19H16N6O2/c1-3-16-14(12-22-25(16)21-7-1)15-6-8-20-19(24-15)23-13-4-5-17-18(11-13)27-10-2-9-26-17/h1,3-8,11-12H,2,9-10H2,(H,20,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	1	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description The biochemical activity of compounds was determined by incubation with specific enzyme and substrate in the presence 2.5 uM ATP/ [gamma-32P] ATP. Af...				J Med Chem 47: 4716-30 (2004) Article DOI: 10.1021/jm040063i BindingDB Entry DOI: 10.7270/Q2VM49HJ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM8136 (N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-{pyrazolo[1...) Show SMILES C1COc2cc(Nc3nccc(n3)-c3cnn4ncccc34)ccc2O1 Show InChI InChI=1S/C18H14N6O2/c1-2-15-13(11-21-24(15)20-6-1)14-5-7-19-18(23-14)22-12-3-4-16-17(10-12)26-9-8-25-16/h1-7,10-11H,8-9H2,(H,19,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	1	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description The biochemical activity of compounds was determined by incubation with specific enzyme and substrate in the presence 2.5 uM ATP/ [gamma-32P] ATP. Af...				J Med Chem 47: 4716-30 (2004) Article DOI: 10.1021/jm040063i BindingDB Entry DOI: 10.7270/Q2VM49HJ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM8146 (N-(3,5-dimethylphenyl)-4-{pyrazolo[1,5-a]pyridazin...) Show SMILES Cc1cc(C)cc(Nc2nccc(n2)-c2cnn3ncccc23)c1 Show InChI InChI=1S/C18H16N6/c1-12-8-13(2)10-14(9-12)22-18-19-7-5-16(23-18)15-11-21-24-17(15)4-3-6-20-24/h3-11H,1-2H3,(H,19,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	1	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description The biochemical activity of compounds was determined by incubation with specific enzyme and substrate in the presence 2.5 uM ATP/ [gamma-32P] ATP. Af...				J Med Chem 47: 4716-30 (2004) Article DOI: 10.1021/jm040063i BindingDB Entry DOI: 10.7270/Q2VM49HJ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM8144 (N-(3,5-difluorophenyl)-4-{pyrazolo[1,5-a]pyridazin...) Show SMILES Fc1cc(F)cc(Nc2nccc(n2)-c2cnn3ncccc23)c1 Show InChI InChI=1S/C16H10F2N6/c17-10-6-11(18)8-12(7-10)22-16-19-5-3-14(23-16)13-9-21-24-15(13)2-1-4-20-24/h1-9H,(H,19,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description The biochemical activity of compounds was determined by incubation with specific enzyme and substrate in the presence 2.5 uM ATP/ [gamma-32P] ATP. Af...				J Med Chem 47: 4716-30 (2004) Article DOI: 10.1021/jm040063i BindingDB Entry DOI: 10.7270/Q2VM49HJ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM8142 (N-[3-methoxy-5-(trifluoromethyl)phenyl]-4-{pyrazol...) Show SMILES COc1cc(Nc2nccc(n2)-c2cnn3ncccc23)cc(c1)C(F)(F)F Show InChI InChI=1S/C18H13F3N6O/c1-28-13-8-11(18(19,20)21)7-12(9-13)25-17-22-6-4-15(26-17)14-10-24-27-16(14)3-2-5-23-27/h2-10H,1H3,(H,22,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description The biochemical activity of compounds was determined by incubation with specific enzyme and substrate in the presence 2.5 uM ATP/ [gamma-32P] ATP. Af...				J Med Chem 47: 4716-30 (2004) Article DOI: 10.1021/jm040063i BindingDB Entry DOI: 10.7270/Q2VM49HJ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM8140 (N-[4-chloro-3-(trifluoromethyl)phenyl]-4-{pyrazolo...) Show SMILES FC(F)(F)c1cc(Nc2nccc(n2)-c2cnn3ncccc23)ccc1Cl Show InChI InChI=1S/C17H10ClF3N6/c18-13-4-3-10(8-12(13)17(19,20)21)25-16-22-7-5-14(26-16)11-9-24-27-15(11)2-1-6-23-27/h1-9H,(H,22,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description The biochemical activity of compounds was determined by incubation with specific enzyme and substrate in the presence 2.5 uM ATP/ [gamma-32P] ATP. Af...				J Med Chem 47: 4716-30 (2004) Article DOI: 10.1021/jm040063i BindingDB Entry DOI: 10.7270/Q2VM49HJ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM8135 (N-(2H-1,3-benzodioxol-5-yl)-4-{pyrazolo[1,5-a]pyri...) Show SMILES C1Oc2ccc(Nc3nccc(n3)-c3cnn4ncccc34)cc2O1 Show InChI InChI=1S/C17H12N6O2/c1-2-14-12(9-20-23(14)19-6-1)13-5-7-18-17(22-13)21-11-3-4-15-16(8-11)25-10-24-15/h1-9H,10H2,(H,18,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description The biochemical activity of compounds was determined by incubation with specific enzyme and substrate in the presence 2.5 uM ATP/ [gamma-32P] ATP. Af...				J Med Chem 47: 4716-30 (2004) Article DOI: 10.1021/jm040063i BindingDB Entry DOI: 10.7270/Q2VM49HJ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM8129 (4-[(4-{pyrazolo[1,5-a]pyridazin-3-yl}pyrimidin-2-y...) Show SMILES N#Cc1ccc(Nc2nccc(n2)-c2cnn3ncccc23)cc1 Show InChI InChI=1S/C17H11N7/c18-10-12-3-5-13(6-4-12)22-17-19-9-7-15(23-17)14-11-21-24-16(14)2-1-8-20-24/h1-9,11H,(H,19,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description The biochemical activity of compounds was determined by incubation with specific enzyme and substrate in the presence 2.5 uM ATP/ [gamma-32P] ATP. Af...				J Med Chem 47: 4716-30 (2004) Article DOI: 10.1021/jm040063i BindingDB Entry DOI: 10.7270/Q2VM49HJ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM8130 (N-(4-nitrophenyl)-4-{pyrazolo[1,5-a]pyridazin-3-yl...) Show SMILES O=N(=O)c1ccc(Nc2nccc(n2)-c2cnn3ncccc23)cc1 Show InChI InChI=1S/C16H11N7O2/c24-23(25)12-5-3-11(4-6-12)20-16-17-9-7-14(21-16)13-10-19-22-15(13)2-1-8-18-22/h1-10H,(H,17,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description The biochemical activity of compounds was determined by incubation with specific enzyme and substrate in the presence 2.5 uM ATP/ [gamma-32P] ATP. Af...				J Med Chem 47: 4716-30 (2004) Article DOI: 10.1021/jm040063i BindingDB Entry DOI: 10.7270/Q2VM49HJ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM8171 (N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-{2-phenylpy...) Show SMILES C1COc2cc(Nc3nccc(n3)-c3c(nn4ncccc34)-c3ccccc3)ccc2O1 Show InChI InChI=1S/C24H18N6O2/c1-2-5-16(6-3-1)23-22(19-7-4-11-26-30(19)29-23)18-10-12-25-24(28-18)27-17-8-9-20-21(15-17)32-14-13-31-20/h1-12,15H,13-14H2,(H,25,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description The biochemical activity of compounds was determined by incubation with specific enzyme and substrate in the presence 2.5 uM ATP/ [gamma-32P] ATP. Af...				J Med Chem 47: 4716-30 (2004) Article DOI: 10.1021/jm040063i BindingDB Entry DOI: 10.7270/Q2VM49HJ
					More data for this Ligand-Target Pair
Phenylethanolamine N-methyltransferase (Homo sapiens (Human))	BDBM50276413 (7-isothiocyanatotetrahydroisoquinoline | CHEMBL459...) Show SMILES S=C=Nc1ccc2CCNCc2c1 Show InChI InChI=1S/C10H10N2S/c13-7-12-10-2-1-8-3-4-11-6-9(8)5-10/h1-2,5,11H,3-4,6H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of phenylethanolamine from human PNMT by competitive inhibition assay				Bioorg Med Chem Lett 19: 1071-4 (2009) Article DOI: 10.1016/j.bmcl.2009.01.014 BindingDB Entry DOI: 10.7270/Q2ZS2WCP
					More data for this Ligand-Target Pair
Phenylethanolamine N-methyltransferase (Homo sapiens (Human))	BDBM50276413 (7-isothiocyanatotetrahydroisoquinoline | CHEMBL459...) Show SMILES S=C=Nc1ccc2CCNCc2c1 Show InChI InChI=1S/C10H10N2S/c13-7-12-10-2-1-8-3-4-11-6-9(8)5-10/h1-2,5,11H,3-4,6H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Binding affinity to wild type human PNMT by liquid scintillation spectrometry in presence of [3H]AdoMet				Bioorg Med Chem Lett 19: 1071-4 (2009) Article DOI: 10.1016/j.bmcl.2009.01.014 BindingDB Entry DOI: 10.7270/Q2ZS2WCP
					More data for this Ligand-Target Pair
Phenylethanolamine N-methyltransferase (Homo sapiens (Human))	BDBM13017 (1,2,3,4-tetrahydroisoquinoline-7-sulfonamide | CHE...) Show SMILES NS(=O)(=O)c1ccc2CCNCc2c1 Show InChI InChI=1S/C9H12N2O2S/c10-14(12,13)9-2-1-7-3-4-11-6-8(7)5-9/h1-2,5,11H,3-4,6H2,(H2,10,12,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Binding affinity to wild type human PNMT by liquid scintillation spectrometry in presence of [3H]AdoMet				Bioorg Med Chem Lett 19: 1071-4 (2009) Article DOI: 10.1016/j.bmcl.2009.01.014 BindingDB Entry DOI: 10.7270/Q2ZS2WCP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM8129 (4-[(4-{pyrazolo[1,5-a]pyridazin-3-yl}pyrimidin-2-y...) Show SMILES N#Cc1ccc(Nc2nccc(n2)-c2cnn3ncccc23)cc1 Show InChI InChI=1S/C17H11N7/c18-10-12-3-5-13(6-4-12)22-17-19-9-7-15(23-17)14-11-21-24-16(14)2-1-8-20-24/h1-9,11H,(H,19,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	7.2	22
GlaxoSmithKline					Assay Description The biochemical activity of compounds was determined by incubation with specific enzyme and substrate in the presence 2.5 uM ATP/ [gamma-32P] ATP. Af...				J Med Chem 47: 4716-30 (2004) Article DOI: 10.1021/jm040063i BindingDB Entry DOI: 10.7270/Q2VM49HJ
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM8144 (N-(3,5-difluorophenyl)-4-{pyrazolo[1,5-a]pyridazin...) Show SMILES Fc1cc(F)cc(Nc2nccc(n2)-c2cnn3ncccc23)c1 Show InChI InChI=1S/C16H10F2N6/c17-10-6-11(18)8-12(7-10)22-16-19-5-3-14(23-16)13-9-21-24-15(13)2-1-4-20-24/h1-9H,(H,19,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents 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 2.5 uM ATP/ [gamma-32P] ATP. Af...				J Med Chem 47: 4716-30 (2004) Article DOI: 10.1021/jm040063i BindingDB Entry DOI: 10.7270/Q2VM49HJ
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM8139 (N-(3,4-dichlorophenyl)-4-{pyrazolo[1,5-a]pyridazin...) Show SMILES Clc1ccc(Nc2nccc(n2)-c2cnn3ncccc23)cc1Cl Show InChI InChI=1S/C16H10Cl2N6/c17-12-4-3-10(8-13(12)18)22-16-19-7-5-14(23-16)11-9-21-24-15(11)2-1-6-20-24/h1-9H,(H,19,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	7.2	22
GlaxoSmithKline					Assay Description The biochemical activity of compounds was determined by incubation with specific enzyme and substrate in the presence 2.5 uM ATP/ [gamma-32P] ATP. Af...				J Med Chem 47: 4716-30 (2004) Article DOI: 10.1021/jm040063i BindingDB Entry DOI: 10.7270/Q2VM49HJ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 (Homo sapiens (Human))	BDBM50219326 (PYRAZOLOPYRIMIDINE 1) Show SMILES CN(C)CCNC(=O)c1ccc(\C=N\Nc2ncnc3n(ncc23)-c2cccc3[nH]cnc23)cc1 Show InChI InChI=1S/C24H24N10O/c1-33(2)11-10-25-24(35)17-8-6-16(7-9-17)12-30-32-22-18-13-31-34(23(18)29-15-28-22)20-5-3-4-19-21(20)27-14-26-19/h3-9,12-15H,10-11H2,1-2H3,(H,25,35)(H,26,27)(H,28,29,32)/b30-12+	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Inhibition of glycogen synthase kinase-3 (GSK3-beta)				Bioorg Med Chem Lett 14: 2127-30 (2004) BindingDB Entry DOI: 10.7270/Q2Q242DJ
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM8137 (N-(3,4-difluorophenyl)-4-{pyrazolo[1,5-a]pyridazin...) Show SMILES Fc1ccc(Nc2nccc(n2)-c2cnn3ncccc23)cc1F Show InChI InChI=1S/C16H10F2N6/c17-12-4-3-10(8-13(12)18)22-16-19-7-5-14(23-16)11-9-21-24-15(11)2-1-6-20-24/h1-9H,(H,19,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	7.2	22
GlaxoSmithKline					Assay Description The biochemical activity of compounds was determined by incubation with specific enzyme and substrate in the presence 2.5 uM ATP/ [gamma-32P] ATP. Af...				J Med Chem 47: 4716-30 (2004) Article DOI: 10.1021/jm040063i BindingDB Entry DOI: 10.7270/Q2VM49HJ
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 3 (Homo sapiens (Human))	BDBM50185446 ((E)-1-(2,4-dihydroxy-6-methoxyphenyl)-3-phenylprop...) Show SMILES COc1cc(O)cc(O)c1C(=O)\C=C\c1ccccc1 Show InChI InChI=1S/C16H14O4/c1-20-15-10-12(17)9-14(19)16(15)13(18)8-7-11-5-3-2-4-6-11/h2-10,17,19H,1H3/b8-7+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Inhibition of human voltage-gated potassium channel Kv1.3 expressed in L929 cells by whole-cell patch clamp assay				Bioorg Med Chem Lett 20: 6983-8 (2010) Article DOI: 10.1016/j.bmcl.2010.09.132 BindingDB Entry DOI: 10.7270/Q2N58MMS
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM8128 (N-(3-methoxyphenyl)-4-{pyrazolo[1,5-a]pyridazin-3-...) Show SMILES COc1cccc(Nc2nccc(n2)-c2cnn3ncccc23)c1 Show InChI InChI=1S/C17H14N6O/c1-24-13-5-2-4-12(10-13)21-17-18-9-7-15(22-17)14-11-20-23-16(14)6-3-8-19-23/h2-11H,1H3,(H,18,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	7.2	22
GlaxoSmithKline					Assay Description The biochemical activity of compounds was determined by incubation with specific enzyme and substrate in the presence 2.5 uM ATP/ [gamma-32P] ATP. Af...				J Med Chem 47: 4716-30 (2004) Article DOI: 10.1021/jm040063i BindingDB Entry DOI: 10.7270/Q2VM49HJ
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM50615811 (CHEMBL5272869) Show SMILES CC(C)(O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc2nc(N3CCC3)c(Cl)cc2c1 |r,wU:7.10,wD:4.3,(8.38,4.12,;7.6,2.78,;6.83,4.12,;8.94,2.01,;6.27,2.01,;4.94,2.78,;3.6,2.01,;3.6,.47,;4.94,-.3,;6.27,.47,;2.27,-.3,;.94,.47,;.94,2.01,;-.4,-.3,;-.4,-1.84,;-1.73,-2.6,;-3.06,-1.83,;-4.38,-2.6,;-5.71,-1.84,;-7.05,-2.61,;-7.45,-4.12,;-8.94,-3.72,;-8.53,-2.21,;-5.71,-.31,;-7.05,.46,;-4.4,.46,;-3.06,-.3,;-1.74,.48,)| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 (Homo sapiens (Human))	BDBM50219327 (GW811168X | PYRAZOLOPYRIMIDINE 2) Show SMILES COc1cccc(c1)-n1ncc2c(N\N=C\c3ccc(cc3)S(C)(=O)=O)ncnc12 Show InChI InChI=1S/C20H18N6O3S/c1-29-16-5-3-4-15(10-16)26-20-18(12-24-26)19(21-13-22-20)25-23-11-14-6-8-17(9-7-14)30(2,27)28/h3-13H,1-2H3,(H,21,22,25)/b23-11+	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Inhibition of glycogen synthase kinase-3 (GSK3-beta)				Bioorg Med Chem Lett 14: 2127-30 (2004) BindingDB Entry DOI: 10.7270/Q2Q242DJ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM8688 ((1E)-1-[(4-methanesulfonylphenyl)methylidene]-2-[1...) Show SMILES COc1cccc(c1)-n1ncc2c(N=NCc3ccc(cc3)S(C)(=O)=O)ncnc12 |w:13.13| Show InChI InChI=1S/C20H18N6O3S/c1-29-16-5-3-4-15(10-16)26-20-18(12-24-26)19(21-13-22-20)25-23-11-14-6-8-17(9-7-14)30(2,27)28/h3-10,12-13H,11H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.51	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description The biochemical activity of compounds was determined by incubation with specific enzyme and substrate in the presence 2.5 uM ATP/ [gamma-33P] ATP. Af...				Bioorg Med Chem Lett 14: 2121-5 (2004) Article DOI: 10.1016/j.bmcl.2004.02.036 BindingDB Entry DOI: 10.7270/Q2NV9GF5
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM8686 (4-[(1E)-{2-[1-(3-methoxyphenyl)-1H-pyrazolo[3,4-d]...) Show SMILES COc1cccc(c1)-n1ncc2c(N=NCc3ccc(N)cc3)ncnc12 |w:13.13| Show InChI InChI=1S/C19H17N7O/c1-27-16-4-2-3-15(9-16)26-19-17(11-24-26)18(21-12-22-19)25-23-10-13-5-7-14(20)8-6-13/h2-9,11-12H,10,20H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.51	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description The biochemical activity of compounds was determined by incubation with specific enzyme and substrate in the presence 2.5 uM ATP/ [gamma-33P] ATP. Af...				Bioorg Med Chem Lett 14: 2121-5 (2004) Article DOI: 10.1016/j.bmcl.2004.02.036 BindingDB Entry DOI: 10.7270/Q2NV9GF5
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM8146 (N-(3,5-dimethylphenyl)-4-{pyrazolo[1,5-a]pyridazin...) Show SMILES Cc1cc(C)cc(Nc2nccc(n2)-c2cnn3ncccc23)c1 Show InChI InChI=1S/C18H16N6/c1-12-8-13(2)10-14(9-12)22-18-19-7-5-16(23-18)15-11-21-24-17(15)4-3-6-20-24/h3-11H,1-2H3,(H,19,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description The biochemical activity of compounds was determined by incubation with specific enzyme and substrate in the presence 2.5 uM ATP/ [gamma-32P] ATP. Af...				J Med Chem 47: 4716-30 (2004) Article DOI: 10.1021/jm040063i BindingDB Entry DOI: 10.7270/Q2VM49HJ
					More data for this Ligand-Target Pair
Glycogen phosphorylase, liver form (Homo sapiens (Human))	BDBM27747 ((2S,3R)-3-(tert-butoxy)-2-{[2-({[4-(cyclopropylmet...) Show SMILES C[C@@H](OC(C)(C)C)[C@H](NC(=O)c1ccc(cc1NC(=O)Nc1c(C)cc(CC2CC2)cc1C)-c1cccc(F)c1)C(O)=O |r| Show InChI InChI=1S/C34H40FN3O5/c1-19-14-23(16-22-10-11-22)15-20(2)29(19)38-33(42)36-28-18-25(24-8-7-9-26(35)17-24)12-13-27(28)31(39)37-30(32(40)41)21(3)43-34(4,5)6/h7-9,12-15,17-18,21-22,30H,10-11,16H2,1-6H3,(H,37,39)(H,40,41)(H2,36,38,42)/t21-,30+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	7.6	25
GSK					Assay Description An enzymatic assay was developed to measure the response of the activated form of glycogen phosphorylase to small molecule compounds. The assay was t...				Bioorg Med Chem Lett 19: 1177-82 (2009) Article DOI: 10.1016/j.bmcl.2008.12.085 BindingDB Entry DOI: 10.7270/Q22805ZM
					More data for this Ligand-Target Pair
Glycogen phosphorylase, liver form (Homo sapiens (Human))	BDBM27730 ((2S,3R)-3-(tert-butoxy)-2-{[4-(4-methoxyphenyl)-2-...) Show SMILES COc1ccc(cc1)-c1ccc(C(=O)N[C@@H]([C@@H](C)OC(C)(C)C)C(O)=O)c(NC(=O)Nc2c(C)cc(C)cc2C)c1 |r| Show InChI InChI=1S/C32H39N3O6/c1-18-15-19(2)27(20(3)16-18)35-31(39)33-26-17-23(22-9-12-24(40-8)13-10-22)11-14-25(26)29(36)34-28(30(37)38)21(4)41-32(5,6)7/h9-17,21,28H,1-8H3,(H,34,36)(H,37,38)(H2,33,35,39)/t21-,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	7.6	25
GSK					Assay Description An enzymatic assay was developed to measure the response of the activated form of glycogen phosphorylase to small molecule compounds. The assay was t...				Bioorg Med Chem Lett 19: 1177-82 (2009) Article DOI: 10.1016/j.bmcl.2008.12.085 BindingDB Entry DOI: 10.7270/Q22805ZM
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM50615823 (CHEMBL5289520) Show SMILES C[C@H]1CCN1c1nc2ncc(cc2cc1Cl)C(=O)N[C@H]1C[C@@H](C1)C(C)(C)O |r,wU:19.21,wD:21.26,1.0,(-8.73,-.66,;-7.96,-1.99,;-8.37,-3.51,;-6.88,-3.91,;-6.48,-2.39,;-5.14,-1.62,;-3.81,-2.39,;-2.49,-1.62,;-1.16,-2.39,;.17,-1.62,;.17,-.08,;-1.17,.69,;-2.49,-.09,;-3.83,.68,;-5.14,-.1,;-6.48,.67,;1.51,.69,;1.51,2.23,;2.84,-.08,;4.17,.69,;4.58,2.2,;6.07,1.8,;5.66,.29,;7.4,2.57,;8.17,3.91,;6.63,3.91,;8.73,1.8,)| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM8674 (4-{4-[(2E)-2-(pyridin-4-ylmethylidene)hydrazin-1-y...) Show SMILES C(N=Nc1ncnc2n(ncc12)-c1ccncc1)c1ccncc1 |w:2.2| Show InChI InChI=1S/C16H12N8/c1-5-17-6-2-12(1)9-21-23-15-14-10-22-24(16(14)20-11-19-15)13-3-7-18-8-4-13/h1-8,10-11H,9H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.16	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description The biochemical activity of compounds was determined by incubation with specific enzyme and substrate in the presence 2.5 uM ATP/ [gamma-33P] ATP. Af...				Bioorg Med Chem Lett 14: 2121-5 (2004) Article DOI: 10.1016/j.bmcl.2004.02.036 BindingDB Entry DOI: 10.7270/Q2NV9GF5
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM50615812 (CHEMBL5289730) Show SMILES C[C@H]1CCN1c1nc2ncc(cc2cc1Cl)C(=O)N[C@H]1CC[C@@H](CC1)C(C)(C)O |r,wU:19.21,wD:1.0,22.28,(-9.12,-.87,;-8.35,-2.21,;-8.76,-3.72,;-7.27,-4.12,;-6.86,-2.61,;-5.53,-1.84,;-4.2,-2.6,;-2.88,-1.83,;-1.55,-2.6,;-.21,-1.84,;-.21,-.3,;-1.55,.48,;-2.88,-.3,;-4.22,.46,;-5.53,-.31,;-6.86,.46,;1.12,.47,;1.12,2.01,;2.45,-.3,;3.79,.47,;3.79,2.01,;5.12,2.78,;6.45,2.01,;6.45,.47,;5.12,-.3,;7.79,2.78,;8.56,4.12,;7.02,4.12,;9.12,2.01,)| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM50615775 (CHEMBL5279860) Show SMILES CC(C)(O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc2cc(ncc2c1)N1CCC1 |r,wU:7.10,wD:4.3,(6.84,4.12,;7.61,2.78,;8.38,4.12,;8.94,2.01,;6.27,2.01,;4.94,2.78,;3.6,2.01,;3.6,.47,;4.94,-.3,;6.27,.47,;2.27,-.3,;.94,.47,;.94,2.01,;-.4,-.3,;-.4,-1.84,;-1.73,-2.6,;-3.06,-1.83,;-4.38,-2.6,;-5.71,-1.84,;-5.71,-.31,;-4.4,.46,;-3.06,-.3,;-1.74,.48,;-7.05,-2.61,;-8.53,-2.21,;-8.94,-3.72,;-7.45,-4.12,)| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PDB UniChem	PDB	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair				3D Structure (crystal)
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM50615791 (CHEMBL5275536) Show SMILES CC(C)(O)[C@H]1CC2(C[C@@H](C2)NC(=O)c2cnc3nc(ccc3c2)C2CC2)C1 |r,wU:8.10,wD:4.3,(8.76,4.37,;7.99,3.04,;7.22,4.37,;9.32,2.27,;6.66,2.27,;5.17,2.67,;4.76,1.15,;3.27,1.55,;2.87,.04,;4.36,-.36,;1.54,-.73,;.2,.04,;.2,1.58,;-1.13,-.73,;-1.13,-2.27,;-2.46,-3.04,;-3.8,-2.27,;-5.12,-3.03,;-6.45,-2.27,;-6.45,-.75,;-5.13,.03,;-3.8,-.74,;-2.47,.04,;-7.78,-3.04,;-8.55,-4.37,;-9.32,-3.04,;6.25,.75,)| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM50615797 (CHEMBL5282861) Show SMILES CC(C)(O)[C@H]1C[C@@H](C1)NC(=O)c1cnc2nc(C3CC3)c(Cl)cc2c1 |r,wU:6.8,wD:4.3,(7.82,3.82,;7.05,2.48,;6.28,3.82,;8.39,1.71,;5.72,1.71,;4.23,2.11,;3.83,.6,;5.31,.2,;2.49,-.18,;1.16,.59,;1.16,2.13,;-.18,-.18,;-.18,-1.71,;-1.51,-2.48,;-2.84,-1.71,;-4.18,-2.48,;-5.51,-1.71,;-6.84,-2.48,;-7.62,-3.82,;-8.39,-2.48,;-5.51,-.18,;-6.84,.59,;-4.18,.59,;-2.84,-.18,;-1.51,.59,)| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM8695 (ethyl({4-[(1E)-{2-[1-(3-methoxyphenyl)-1H-pyrazolo...) Show SMILES CCNCc1ccc(CN=Nc2ncnc3n(ncc23)-c2cccc(OC)c2)cc1 |w:10.10| Show InChI InChI=1S/C22H23N7O/c1-3-23-12-16-7-9-17(10-8-16)13-26-28-21-20-14-27-29(22(20)25-15-24-21)18-5-4-6-19(11-18)30-2/h4-11,14-15,23H,3,12-13H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.98	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description The biochemical activity of compounds was determined by incubation with specific enzyme and substrate in the presence 2.5 uM ATP/ [gamma-33P] ATP. Af...				Bioorg Med Chem Lett 14: 2121-5 (2004) Article DOI: 10.1016/j.bmcl.2004.02.036 BindingDB Entry DOI: 10.7270/Q2NV9GF5
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM8687 ((1E)-1-[(3-methanesulfonylphenyl)methylidene]-2-[1...) Show SMILES COc1cccc(c1)-n1ncc2c(N=NCc3cccc(c3)S(C)(=O)=O)ncnc12 |w:13.13| Show InChI InChI=1S/C20H18N6O3S/c1-29-16-7-4-6-15(10-16)26-20-18(12-24-26)19(21-13-22-20)25-23-11-14-5-3-8-17(9-14)30(2,27)28/h3-10,12-13H,11H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.98	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description The biochemical activity of compounds was determined by incubation with specific enzyme and substrate in the presence 2.5 uM ATP/ [gamma-33P] ATP. Af...				Bioorg Med Chem Lett 14: 2121-5 (2004) Article DOI: 10.1016/j.bmcl.2004.02.036 BindingDB Entry DOI: 10.7270/Q2NV9GF5
					More data for this Ligand-Target Pair
Glycogen phosphorylase, liver form (Homo sapiens (Human))	BDBM27743 ((2S,3R)-3-(tert-butoxy)-2-{[2-({[4-(cyclopropylmet...) Show SMILES C[C@@H](OC(C)(C)C)[C@H](NC(=O)c1ccc(F)cc1NC(=O)Nc1c(C)cc(CC2CC2)cc1C)C(O)=O |r| Show InChI InChI=1S/C28H36FN3O5/c1-15-11-19(13-18-7-8-18)12-16(2)23(15)32-27(36)30-22-14-20(29)9-10-21(22)25(33)31-24(26(34)35)17(3)37-28(4,5)6/h9-12,14,17-18,24H,7-8,13H2,1-6H3,(H,31,33)(H,34,35)(H2,30,32,36)/t17-,24+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	7.6	25
GSK					Assay Description An enzymatic assay was developed to measure the response of the activated form of glycogen phosphorylase to small molecule compounds. The assay was t...				Bioorg Med Chem Lett 19: 1177-82 (2009) Article DOI: 10.1016/j.bmcl.2008.12.085 BindingDB Entry DOI: 10.7270/Q22805ZM
					More data for this Ligand-Target Pair
Glycogen phosphorylase, liver form (Homo sapiens (Human))	BDBM27745 ((2S,3R)-3-(tert-butoxy)-2-[(2-{[(2,6-dimethyl-4-pr...) Show SMILES CCCc1cc(C)c(NC(=O)Nc2cc(ccc2C(=O)N[C@@H]([C@@H](C)OC(C)(C)C)C(O)=O)-c2ccc(OC)cc2)c(C)c1 |r| Show InChI InChI=1S/C34H43N3O6/c1-9-10-23-17-20(2)29(21(3)18-23)37-33(41)35-28-19-25(24-11-14-26(42-8)15-12-24)13-16-27(28)31(38)36-30(32(39)40)22(4)43-34(5,6)7/h11-19,22,30H,9-10H2,1-8H3,(H,36,38)(H,39,40)(H2,35,37,41)/t22-,30+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	7.6	25
GSK					Assay Description An enzymatic assay was developed to measure the response of the activated form of glycogen phosphorylase to small molecule compounds. The assay was t...				Bioorg Med Chem Lett 19: 1177-82 (2009) Article DOI: 10.1016/j.bmcl.2008.12.085 BindingDB Entry DOI: 10.7270/Q22805ZM
					More data for this Ligand-Target Pair
Glycogen phosphorylase, liver form (Homo sapiens (Human))	BDBM27746 ((2S,3R)-3-(tert-butoxy)-2-[(2-{[(2,6-dimethyl-4-pr...) Show SMILES CCCc1cc(C)c(NC(=O)Nc2cc(ccc2C(=O)N[C@@H]([C@@H](C)OC(C)(C)C)C(O)=O)-c2cccc(F)c2)c(C)c1 |r| Show InChI InChI=1S/C33H40FN3O5/c1-8-10-22-15-19(2)28(20(3)16-22)37-32(41)35-27-18-24(23-11-9-12-25(34)17-23)13-14-26(27)30(38)36-29(31(39)40)21(4)42-33(5,6)7/h9,11-18,21,29H,8,10H2,1-7H3,(H,36,38)(H,39,40)(H2,35,37,41)/t21-,29+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	7.6	25
GSK					Assay Description An enzymatic assay was developed to measure the response of the activated form of glycogen phosphorylase to small molecule compounds. The assay was t...				Bioorg Med Chem Lett 19: 1177-82 (2009) Article DOI: 10.1016/j.bmcl.2008.12.085 BindingDB Entry DOI: 10.7270/Q22805ZM
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 (Homo sapiens (Human))	BDBM50219340 (CHEMBL65944) Show SMILES N(\N=C\c1ccncc1)c1ncnc2n(ncc12)-c1cccc2[nH]cnc12 Show InChI InChI=1S/C18H13N9/c1-2-14-16(21-10-20-14)15(3-1)27-18-13(9-25-27)17(22-11-23-18)26-24-8-12-4-6-19-7-5-12/h1-11H,(H,20,21)(H,22,23,26)/b24-8+	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Inhibition of glycogen synthase kinase-3 (GSK3-beta)				Bioorg Med Chem Lett 14: 2127-30 (2004) BindingDB Entry DOI: 10.7270/Q2Q242DJ
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM50615779 (CHEMBL5285125) Show SMILES C[C@H]1CCN1c1ccc2cc(cnc2n1)C(=O)N[C@H]1CC[C@@H](CC1)C(C)(C)O |r,wU:18.20,wD:1.0,21.27,(-9.12,-.87,;-8.35,-2.21,;-8.76,-3.72,;-7.27,-4.12,;-6.86,-2.61,;-5.53,-1.84,;-5.53,-.31,;-4.22,.46,;-2.88,-.3,;-1.55,.48,;-.21,-.3,;-.21,-1.84,;-1.54,-2.6,;-2.88,-1.83,;-4.2,-2.6,;1.12,.47,;1.12,2.01,;2.45,-.3,;3.79,.47,;3.79,2.01,;5.12,2.78,;6.45,2.01,;6.45,.47,;5.12,-.3,;7.79,2.78,;7.02,4.12,;8.56,4.12,;9.12,2.01,)| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM50615800 (CHEMBL5266142) Show SMILES Clc1cc2cc(cnc2nc1C1CC1)C(=O)N[C@H]1CCNC1=O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM50615795 (CHEMBL5279371) Show SMILES C[C@H]1CCN1c1nc2ncc(cc2cc1Cl)C(=O)N[C@H]1CC[C@](C)(O)CC1 |r,wU:19.21,wD:22.26,1.0,(-8.57,-.49,;-7.8,-1.82,;-8.2,-3.33,;-6.72,-3.73,;-6.31,-2.22,;-4.98,-1.45,;-3.64,-2.22,;-2.31,-1.45,;-.98,-2.22,;.36,-1.45,;.36,.09,;-.98,.86,;-2.31,.09,;-3.64,.86,;-4.98,.09,;-6.31,.86,;1.69,.86,;1.69,2.4,;3.02,.09,;4.36,.86,;4.36,2.4,;5.69,3.17,;7.03,2.4,;8.57,2.4,;7.8,3.73,;7.03,.86,;5.69,.09,)| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM50615813 (CHEMBL5269778) Show SMILES CC(C)(O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc2nc(C3CC3)c(Cl)cc2c1 |r,wU:7.10,wD:4.3,(8.2,4.03,;7.43,2.69,;6.66,4.03,;8.76,1.92,;6.1,1.92,;4.76,2.69,;3.43,1.92,;3.43,.38,;4.76,-.39,;6.1,.38,;2.1,-.39,;.76,.38,;.76,1.92,;-.57,-.39,;-.57,-1.93,;-1.9,-2.69,;-3.24,-1.92,;-4.56,-2.69,;-5.89,-1.93,;-7.22,-2.7,;-7.99,-4.03,;-8.76,-2.7,;-5.89,-.4,;-7.22,.37,;-4.57,.37,;-3.24,-.39,;-1.91,.39,)| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM50615802 (CHEMBL5269001) Show SMILES C[C@H]1CCN1c1cc2ncc(cc2cn1)C(=O)N[C@H]1CC[C@@H](CC1)C(C)(C)O |r,wU:18.20,wD:1.0,21.27,(-9.12,-.87,;-8.35,-2.21,;-8.76,-3.72,;-7.27,-4.12,;-6.86,-2.61,;-5.53,-1.84,;-4.2,-2.6,;-2.88,-1.83,;-1.55,-2.6,;-.21,-1.84,;-.21,-.3,;-1.55,.48,;-2.88,-.3,;-4.22,.46,;-5.53,-.31,;1.12,.47,;1.12,2.01,;2.45,-.3,;3.79,.47,;3.79,2.01,;5.12,2.78,;6.45,2.01,;6.45,.47,;5.12,-.3,;7.79,2.78,;8.56,4.12,;7.02,4.12,;9.12,2.01,)| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM50615792 (CHEMBL5279720) Show SMILES CC(C)(O)C1CC2(C[C@@H](C2)NC(=O)c2cnc3nc(ccc3c2)C2CC2)C1 |r,wU:8.10,(7.22,4.37,;7.99,3.04,;8.76,4.37,;9.32,2.27,;6.66,2.27,;5.17,2.67,;4.76,1.15,;3.27,1.55,;2.87,.04,;4.36,-.36,;1.54,-.73,;.2,.04,;.2,1.58,;-1.13,-.73,;-1.13,-2.27,;-2.46,-3.04,;-3.8,-2.27,;-5.12,-3.03,;-6.45,-2.27,;-6.45,-.75,;-5.13,.03,;-3.8,-.74,;-2.47,.04,;-7.78,-3.04,;-8.55,-4.37,;-9.32,-3.04,;6.25,.75,)| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 (Homo sapiens (Human))	BDBM50219001 (CHEMBL69687) Show SMILES CS(=O)(=O)c1ccc(\C=N\Nc2ncnc3n(ncc23)-c2cccc3[nH]cnc23)cc1 Show InChI InChI=1S/C20H16N8O2S/c1-31(29,30)14-7-5-13(6-8-14)9-25-27-19-15-10-26-28(20(15)24-12-23-19)17-4-2-3-16-18(17)22-11-21-16/h2-12H,1H3,(H,21,22)(H,23,24,27)/b25-9+	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Inhibition of glycogen synthase kinase-3 (GSK3-beta)				Bioorg Med Chem Lett 14: 2127-30 (2004) BindingDB Entry DOI: 10.7270/Q2Q242DJ
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM50615825 (CHEMBL5266618) Show SMILES C[C@H]1CCN1c1nc2ncc(cc2cc1Cl)C(=O)N[C@H]1C[C@@](C)(O)C1 |r,wU:19.21,21.25,wD:1.0,(-8.17,-.27,;-7.4,-1.61,;-7.81,-3.12,;-6.32,-3.52,;-5.91,-2.01,;-4.58,-1.24,;-3.25,-2,;-1.93,-1.23,;-.6,-2,;.74,-1.24,;.74,.3,;-.6,1.08,;-1.93,.3,;-3.27,1.06,;-4.58,.29,;-5.91,1.06,;2.07,1.07,;2.07,2.61,;3.4,.3,;4.74,1.07,;5.14,2.58,;6.63,2.19,;7.4,3.52,;8.17,2.19,;6.22,.67,)| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM50615824 (CHEMBL5278680) Show SMILES C[C@H]1CCN1c1nc2ncc(cc2cc1Cl)C(=O)N[C@H]1C[C@](C)(O)C1 |r,wU:19.21,wD:21.25,1.0,(-8.17,-.27,;-7.4,-1.61,;-7.81,-3.12,;-6.32,-3.52,;-5.91,-2.01,;-4.58,-1.24,;-3.25,-2,;-1.93,-1.23,;-.6,-2,;.74,-1.24,;.74,.3,;-.6,1.08,;-1.93,.3,;-3.27,1.06,;-4.58,.29,;-5.91,1.06,;2.07,1.07,;2.07,2.61,;3.4,.3,;4.74,1.07,;5.14,2.58,;6.63,2.19,;8.17,2.19,;7.4,3.52,;6.22,.67,)| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair

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