Compile Data Set for Download or QSAR

Found 41 hits with Last Name = 'iwago' and Initial = 'm'   

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))	BDBM50362881 (CHEMBL1940907) Show SMILES CC1COc2c(NCCNc3ccccn3)c(F)c(N)c3c2n(cc(C(O)=O)c3=O)C11CCC1 Show InChI InChI=1S/C24H26FN5O4/c1-13-12-34-22-19(29-10-9-28-15-5-2-3-8-27-15)17(25)18(26)16-20(22)30(24(13)6-4-7-24)11-14(21(16)31)23(32)33/h2-3,5,8,11,13,29H,4,6-7,9-10,12,26H2,1H3,(H,27,28)(H,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Kyorin Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK3-beta after 1 hr by KinaseGlo luciferase assay				Bioorg Med Chem 20: 1188-200 (2012) Article DOI: 10.1016/j.bmc.2011.12.046 BindingDB Entry DOI: 10.7270/Q29W0FXV
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50325983 (6-(2-(4-(2,4-dichlorophenyl)-5-(4-methyl-1H-imidaz...) Show SMILES Cc1c[nH]c(n1)-c1cnc(NCCNc2ccc(cn2)C#N)nc1-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C22H18Cl2N8/c1-13-10-29-21(31-13)17-12-30-22(32-20(17)16-4-3-15(23)8-18(16)24)27-7-6-26-19-5-2-14(9-25)11-28-19/h2-5,8,10-12H,6-7H2,1H3,(H,26,28)(H,29,31)(H,27,30,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Kyorin Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of GSK3-beta				Bioorg Med Chem 20: 1188-200 (2012) Article DOI: 10.1016/j.bmc.2011.12.046 BindingDB Entry DOI: 10.7270/Q29W0FXV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50325983 (6-(2-(4-(2,4-dichlorophenyl)-5-(4-methyl-1H-imidaz...) Show SMILES Cc1c[nH]c(n1)-c1cnc(NCCNc2ccc(cn2)C#N)nc1-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C22H18Cl2N8/c1-13-10-29-21(31-13)17-12-30-22(32-20(17)16-4-3-15(23)8-18(16)24)27-7-6-26-19-5-2-14(9-25)11-28-19/h2-5,8,10-12H,6-7H2,1H3,(H,26,28)(H,29,31)(H,27,30,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Kyorin Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK3-beta after 1 hr by KinaseGlo luciferase assay				Bioorg Med Chem 20: 1188-200 (2012) Article DOI: 10.1016/j.bmc.2011.12.046 BindingDB Entry DOI: 10.7270/Q29W0FXV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50362879 (CHEMBL1940905) Show SMILES Nc1c(F)c(NCCNc2ccccn2)c2OCCC3(CCC3)n3cc(C(O)=O)c(=O)c1c23 Show InChI InChI=1S/C23H24FN5O4/c24-16-17(25)15-19-21(18(16)28-10-9-27-14-4-1-2-8-26-14)33-11-7-23(5-3-6-23)29(19)12-13(20(15)30)22(31)32/h1-2,4,8,12,28H,3,5-7,9-11,25H2,(H,26,27)(H,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Kyorin Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK3-beta after 1 hr by KinaseGlo luciferase assay				Bioorg Med Chem 20: 1188-200 (2012) Article DOI: 10.1016/j.bmc.2011.12.046 BindingDB Entry DOI: 10.7270/Q29W0FXV
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50362880 (CHEMBL1940906) Show SMILES Nc1c(F)c(NCCNc2ccccn2)c2OCCC3(CC3)n3cc(C(O)=O)c(=O)c1c23 Show InChI InChI=1S/C22H22FN5O4/c23-15-16(24)14-18-20(17(15)27-9-8-26-13-3-1-2-7-25-13)32-10-6-22(4-5-22)28(18)11-12(19(14)29)21(30)31/h1-3,7,11,27H,4-6,8-10,24H2,(H,25,26)(H,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Kyorin Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK3-beta after 1 hr by KinaseGlo luciferase assay				Bioorg Med Chem 20: 1188-200 (2012) Article DOI: 10.1016/j.bmc.2011.12.046 BindingDB Entry DOI: 10.7270/Q29W0FXV
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50362878 (CHEMBL1940904) Show SMILES Nc1c(F)c(NCCNc2ccccn2)c2OCCC3(CCCC3)n3cc(C(O)=O)c(=O)c1c23 Show InChI InChI=1S/C24H26FN5O4/c25-17-18(26)16-20-22(19(17)29-11-10-28-15-5-1-4-9-27-15)34-12-8-24(6-2-3-7-24)30(20)13-14(21(16)31)23(32)33/h1,4-5,9,13,29H,2-3,6-8,10-12,26H2,(H,27,28)(H,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Kyorin Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK3-beta after 1 hr by KinaseGlo luciferase assay				Bioorg Med Chem 20: 1188-200 (2012) Article DOI: 10.1016/j.bmc.2011.12.046 BindingDB Entry DOI: 10.7270/Q29W0FXV
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50362882 (CHEMBL1940908) Show SMILES CC1CC2(CCC2)n2cc(C(O)=O)c(=O)c3c(N)c(F)c(NCCNc4ccccn4)c(O1)c23 Show InChI InChI=1S/C24H26FN5O4/c1-13-11-24(6-4-7-24)30-12-14(23(32)33)21(31)16-18(26)17(25)19(22(34-13)20(16)30)29-10-9-28-15-5-2-3-8-27-15/h2-3,5,8,12-13,29H,4,6-7,9-11,26H2,1H3,(H,27,28)(H,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Kyorin Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK3-beta after 1 hr by KinaseGlo luciferase assay				Bioorg Med Chem 20: 1188-200 (2012) Article DOI: 10.1016/j.bmc.2011.12.046 BindingDB Entry DOI: 10.7270/Q29W0FXV
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Rattus norvegicus)	BDBM50322695 (4,6-Bis(benzylthio)-2-(methylthio)pyrimidine-5-car...) Show SMILES CSc1nc(SCc2ccccc2)c(C(O)=O)c(SCc2ccccc2)n1 Show InChI InChI=1S/C20H18N2O2S3/c1-25-20-21-17(26-12-14-8-4-2-5-9-14)16(19(23)24)18(22-20)27-13-15-10-6-3-7-11-15/h2-11H,12-13H2,1H3,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	539	n/a	n/a	n/a	n/a	n/a	n/a
Kyorin Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Antagonist activity at rat PPARgamma-LBD expressed in CHO-K1 cells co-transfected with GAL4 assessed as inhibition of rosiglitazone-induced luciferas...				J Med Chem 53: 5012-24 (2010) Article DOI: 10.1021/jm100443s BindingDB Entry DOI: 10.7270/Q24J0G3H
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50362883 (CHEMBL1940909) Show SMILES Nc1c(F)c(NCCNc2ccccn2)c2NCCC3(CCC3)n3cc(C(O)=O)c(=O)c1c23 Show InChI InChI=1S/C23H25FN6O3/c24-16-17(25)15-20-19(18(16)29-11-10-27-14-4-1-2-8-26-14)28-9-7-23(5-3-6-23)30(20)12-13(21(15)31)22(32)33/h1-2,4,8,12,28-29H,3,5-7,9-11,25H2,(H,26,27)(H,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
Kyorin Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK3-beta after 1 hr by KinaseGlo luciferase assay				Bioorg Med Chem 20: 1188-200 (2012) Article DOI: 10.1016/j.bmc.2011.12.046 BindingDB Entry DOI: 10.7270/Q29W0FXV
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Mus musculus)	BDBM50322695 (4,6-Bis(benzylthio)-2-(methylthio)pyrimidine-5-car...) Show SMILES CSc1nc(SCc2ccccc2)c(C(O)=O)c(SCc2ccccc2)n1 Show InChI InChI=1S/C20H18N2O2S3/c1-25-20-21-17(26-12-14-8-4-2-5-9-14)16(19(23)24)18(22-20)27-13-15-10-6-3-7-11-15/h2-11H,12-13H2,1H3,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.77E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kyorin Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Antagonist activity at mouse PPARgamma-LBD expressed in CHO-K1 cells co-transfected with GAL4 assessed as inhibition of rosiglitazone-induced lucifer...				J Med Chem 53: 5012-24 (2010) Article DOI: 10.1021/jm100443s BindingDB Entry DOI: 10.7270/Q24J0G3H
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50322695 (4,6-Bis(benzylthio)-2-(methylthio)pyrimidine-5-car...) Show SMILES CSc1nc(SCc2ccccc2)c(C(O)=O)c(SCc2ccccc2)n1 Show InChI InChI=1S/C20H18N2O2S3/c1-25-20-21-17(26-12-14-8-4-2-5-9-14)16(19(23)24)18(22-20)27-13-15-10-6-3-7-11-15/h2-11H,12-13H2,1H3,(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.79E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kyorin Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human PPARgamma-LBD expressed in CHO-K1 cells co-transfected with GAL4 assessed as inhibition of rosiglitazone-induced lucifer...				J Med Chem 53: 5012-24 (2010) Article DOI: 10.1021/jm100443s BindingDB Entry DOI: 10.7270/Q24J0G3H
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50322693 (4-(Benzylamino)-6-(benzyloxy)-2-(methylthio)pyrimi...) Show SMILES CSc1nc(NCc2ccccc2)c(C(O)=O)c(OCc2ccccc2)n1 Show InChI InChI=1S/C20H19N3O3S/c1-27-20-22-17(21-12-14-8-4-2-5-9-14)16(19(24)25)18(23-20)26-13-15-10-6-3-7-11-15/h2-11H,12-13H2,1H3,(H,24,25)(H,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a
Kyorin Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Partial agonist activity at human PPARgamma-LBD expressed in CHO-K1 cells co-transfected with GAL4 assessed as luciferase activity by transactivation...				J Med Chem 53: 5012-24 (2010) Article DOI: 10.1021/jm100443s BindingDB Entry DOI: 10.7270/Q24J0G3H
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50322686 (4-(Benzylthio)-2-(methylthio)-6-(3-pyridylmethylam...) Show SMILES CSc1nc(NCc2cccnc2)c(C(O)=O)c(SCc2ccccc2)n1 Show InChI InChI=1S/C19H18N4O2S2/c1-26-19-22-16(21-11-14-8-5-9-20-10-14)15(18(24)25)17(23-19)27-12-13-6-3-2-4-7-13/h2-10H,11-12H2,1H3,(H,24,25)(H,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	740	n/a	n/a	n/a	n/a
Kyorin Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Partial agonist activity at human PPARgamma-LBD expressed in CHO-K1 cells co-transfected with GAL4 assessed as luciferase activity by transactivation...				J Med Chem 53: 5012-24 (2010) Article DOI: 10.1021/jm100443s BindingDB Entry DOI: 10.7270/Q24J0G3H
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50322695 (4,6-Bis(benzylthio)-2-(methylthio)pyrimidine-5-car...) Show SMILES CSc1nc(SCc2ccccc2)c(C(O)=O)c(SCc2ccccc2)n1 Show InChI InChI=1S/C20H18N2O2S3/c1-25-20-21-17(26-12-14-8-4-2-5-9-14)16(19(23)24)18(22-20)27-13-15-10-6-3-7-11-15/h2-11H,12-13H2,1H3,(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	140	n/a	n/a	n/a	n/a
Kyorin Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Partial agonist activity at human PPARgamma-LBD expressed in CHO-K1 cells co-transfected with GAL4 assessed as luciferase activity by transactivation...				J Med Chem 53: 5012-24 (2010) Article DOI: 10.1021/jm100443s BindingDB Entry DOI: 10.7270/Q24J0G3H
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM28681 (5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...) Show SMILES CN(CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1ccccn1 Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	100	n/a	n/a	n/a	n/a
Kyorin Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Partial agonist activity at human PPARgamma-LBD expressed in CHO-K1 cells co-transfected with GAL4 assessed as luciferase activity by transactivation...				J Med Chem 53: 5012-24 (2010) Article DOI: 10.1021/jm100443s BindingDB Entry DOI: 10.7270/Q24J0G3H
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma (Mus musculus)	BDBM50322695 (4,6-Bis(benzylthio)-2-(methylthio)pyrimidine-5-car...) Show SMILES CSc1nc(SCc2ccccc2)c(C(O)=O)c(SCc2ccccc2)n1 Show InChI InChI=1S/C20H18N2O2S3/c1-25-20-21-17(26-12-14-8-4-2-5-9-14)16(19(23)24)18(22-20)27-13-15-10-6-3-7-11-15/h2-11H,12-13H2,1H3,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	158	n/a	n/a	n/a	n/a
Kyorin Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Partial agonist activity at mouse PPARgamma-LBD expressed in CHO-K1 cells co-transfected with GAL4 assessed as luciferase activity by transactivation...				J Med Chem 53: 5012-24 (2010) Article DOI: 10.1021/jm100443s BindingDB Entry DOI: 10.7270/Q24J0G3H
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Rattus norvegicus)	BDBM50322695 (4,6-Bis(benzylthio)-2-(methylthio)pyrimidine-5-car...) Show SMILES CSc1nc(SCc2ccccc2)c(C(O)=O)c(SCc2ccccc2)n1 Show InChI InChI=1S/C20H18N2O2S3/c1-25-20-21-17(26-12-14-8-4-2-5-9-14)16(19(23)24)18(22-20)27-13-15-10-6-3-7-11-15/h2-11H,12-13H2,1H3,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	158	n/a	n/a	n/a	n/a
Kyorin Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Partial agonist activity at rat PPARgamma-LBD expressed in CHO-K1 cells co-transfected with GAL4 assessed as luciferase activity by transactivation a...				J Med Chem 53: 5012-24 (2010) Article DOI: 10.1021/jm100443s BindingDB Entry DOI: 10.7270/Q24J0G3H
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50322687 (CHEMBL1172426 | N-benzyl-4-(benzylamino)-6-chloro-...) Show SMILES CSc1nc(Cl)c(C(=O)NCc2ccccc2)c(NCc2ccccc2)n1 Show InChI InChI=1S/C20H19ClN4OS/c1-27-20-24-17(21)16(19(26)23-13-15-10-6-3-7-11-15)18(25-20)22-12-14-8-4-2-5-9-14/h2-11H,12-13H2,1H3,(H,23,26)(H,22,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a
Kyorin Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Partial agonist activity at human PPARgamma-LBD expressed in CHO-K1 cells co-transfected with GAL4 assessed as luciferase activity by transactivation...				J Med Chem 53: 5012-24 (2010) Article DOI: 10.1021/jm100443s BindingDB Entry DOI: 10.7270/Q24J0G3H
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50322675 (4-(Benzylamino)-6-(benzylthio)pyrimidine-5-carboxy...) Show SMILES OC(=O)c1c(NCc2ccccc2)ncnc1SCc1ccccc1 Show InChI InChI=1S/C19H17N3O2S/c23-19(24)16-17(20-11-14-7-3-1-4-8-14)21-13-22-18(16)25-12-15-9-5-2-6-10-15/h1-10,13H,11-12H2,(H,23,24)(H,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Kyorin Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Partial agonist activity at human PPARgamma-LBD expressed in CHO-K1 cells co-transfected with GAL4 assessed as luciferase activity by transactivation...				J Med Chem 53: 5012-24 (2010) Article DOI: 10.1021/jm100443s BindingDB Entry DOI: 10.7270/Q24J0G3H
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50322676 (4-(Benzylamino)-6-(benzylthio)-2-(methylthio)pyrim...) Show SMILES CSc1nc(NCc2ccccc2)c(C(O)=O)c(SCc2ccccc2)n1 Show InChI InChI=1S/C20H19N3O2S2/c1-26-20-22-17(21-12-14-8-4-2-5-9-14)16(19(24)25)18(23-20)27-13-15-10-6-3-7-11-15/h2-11H,12-13H2,1H3,(H,24,25)(H,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	180	n/a	n/a	n/a	n/a
Kyorin Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Partial agonist activity at human PPARgamma-LBD expressed in CHO-K1 cells co-transfected with GAL4 assessed as luciferase activity by transactivation...				J Med Chem 53: 5012-24 (2010) Article DOI: 10.1021/jm100443s BindingDB Entry DOI: 10.7270/Q24J0G3H
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50322677 (4-(Benzylamino)-6-(benzylthio)-2-(butylthio)pyrimi...) Show SMILES CCCCSc1nc(NCc2ccccc2)c(C(O)=O)c(SCc2ccccc2)n1 Show InChI InChI=1S/C23H25N3O2S2/c1-2-3-14-29-23-25-20(24-15-17-10-6-4-7-11-17)19(22(27)28)21(26-23)30-16-18-12-8-5-9-13-18/h4-13H,2-3,14-16H2,1H3,(H,27,28)(H,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	550	n/a	n/a	n/a	n/a
Kyorin Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Partial agonist activity at human PPARgamma-LBD expressed in CHO-K1 cells co-transfected with GAL4 assessed as luciferase activity by transactivation...				J Med Chem 53: 5012-24 (2010) Article DOI: 10.1021/jm100443s BindingDB Entry DOI: 10.7270/Q24J0G3H
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50322678 (4-(Benzylamino)-6-(benzylthio)-2-(octylthio)pyrimi...) Show SMILES CCCCCCCCSc1nc(NCc2ccccc2)c(C(O)=O)c(SCc2ccccc2)n1 Show InChI InChI=1S/C27H33N3O2S2/c1-2-3-4-5-6-13-18-33-27-29-24(28-19-21-14-9-7-10-15-21)23(26(31)32)25(30-27)34-20-22-16-11-8-12-17-22/h7-12,14-17H,2-6,13,18-20H2,1H3,(H,31,32)(H,28,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	950	n/a	n/a	n/a	n/a
Kyorin Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Partial agonist activity at human PPARgamma-LBD expressed in CHO-K1 cells co-transfected with GAL4 assessed as luciferase activity by transactivation...				J Med Chem 53: 5012-24 (2010) Article DOI: 10.1021/jm100443s BindingDB Entry DOI: 10.7270/Q24J0G3H
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50322679 (4-(Benzylamino)-6-(benzylthio)-2-(butylamino)pyrim...) Show SMILES CCCCNc1nc(NCc2ccccc2)c(C(O)=O)c(SCc2ccccc2)n1 Show InChI InChI=1S/C23H26N4O2S/c1-2-3-14-24-23-26-20(25-15-17-10-6-4-7-11-17)19(22(28)29)21(27-23)30-16-18-12-8-5-9-13-18/h4-13H,2-3,14-16H2,1H3,(H,28,29)(H2,24,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	470	n/a	n/a	n/a	n/a
Kyorin Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Partial agonist activity at human PPARgamma-LBD expressed in CHO-K1 cells co-transfected with GAL4 assessed as luciferase activity by transactivation...				J Med Chem 53: 5012-24 (2010) Article DOI: 10.1021/jm100443s BindingDB Entry DOI: 10.7270/Q24J0G3H
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50322680 (4-(Benzylamino)-6-(benzylthio)-2-(heptylamino)pyri...) Show SMILES CCCCCCCNc1nc(NCc2ccccc2)c(C(O)=O)c(SCc2ccccc2)n1 Show InChI InChI=1S/C26H32N4O2S/c1-2-3-4-5-12-17-27-26-29-23(28-18-20-13-8-6-9-14-20)22(25(31)32)24(30-26)33-19-21-15-10-7-11-16-21/h6-11,13-16H,2-5,12,17-19H2,1H3,(H,31,32)(H2,27,28,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	250	n/a	n/a	n/a	n/a
Kyorin Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Partial agonist activity at human PPARgamma-LBD expressed in CHO-K1 cells co-transfected with GAL4 assessed as luciferase activity by transactivation...				J Med Chem 53: 5012-24 (2010) Article DOI: 10.1021/jm100443s BindingDB Entry DOI: 10.7270/Q24J0G3H
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50322681 (4-(Benzylamino)-6-(benzylthio)-2-(N-butyl-N-methyl...) Show SMILES CCCCN(C)c1nc(NCc2ccccc2)c(C(O)=O)c(SCc2ccccc2)n1 Show InChI InChI=1S/C24H28N4O2S/c1-3-4-15-28(2)24-26-21(25-16-18-11-7-5-8-12-18)20(23(29)30)22(27-24)31-17-19-13-9-6-10-14-19/h5-14H,3-4,15-17H2,1-2H3,(H,29,30)(H,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	420	n/a	n/a	n/a	n/a
Kyorin Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Partial agonist activity at human PPARgamma-LBD expressed in CHO-K1 cells co-transfected with GAL4 assessed as luciferase activity by transactivation...				J Med Chem 53: 5012-24 (2010) Article DOI: 10.1021/jm100443s BindingDB Entry DOI: 10.7270/Q24J0G3H
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50322682 (4-(Benzylamino)-6-(benzylthio)-2-(dibutylamino)pyr...) Show SMILES CCCCN(CCCC)c1nc(NCc2ccccc2)c(C(O)=O)c(SCc2ccccc2)n1 Show InChI InChI=1S/C27H34N4O2S/c1-3-5-17-31(18-6-4-2)27-29-24(28-19-21-13-9-7-10-14-21)23(26(32)33)25(30-27)34-20-22-15-11-8-12-16-22/h7-16H,3-6,17-20H2,1-2H3,(H,32,33)(H,28,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Kyorin Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Partial agonist activity at human PPARgamma-LBD expressed in CHO-K1 cells co-transfected with GAL4 assessed as luciferase activity by transactivation...				J Med Chem 53: 5012-24 (2010) Article DOI: 10.1021/jm100443s BindingDB Entry DOI: 10.7270/Q24J0G3H
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50322683 (4-Anilino-6-(benzylthio)-2-(methylthio)pyrimidine-...) Show SMILES CSc1nc(Nc2ccccc2)c(C(O)=O)c(SCc2ccccc2)n1 Show InChI InChI=1S/C19H17N3O2S2/c1-25-19-21-16(20-14-10-6-3-7-11-14)15(18(23)24)17(22-19)26-12-13-8-4-2-5-9-13/h2-11H,12H2,1H3,(H,23,24)(H,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a
Kyorin Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Partial agonist activity at human PPARgamma-LBD expressed in CHO-K1 cells co-transfected with GAL4 assessed as luciferase activity by transactivation...				J Med Chem 53: 5012-24 (2010) Article DOI: 10.1021/jm100443s BindingDB Entry DOI: 10.7270/Q24J0G3H
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50322684 (4-(Benzylthio)-2-(methylthio)-6-(2-phenethylamino)...) Show SMILES CSc1nc(NCCc2ccccc2)c(C(O)=O)c(SCc2ccccc2)n1 Show InChI InChI=1S/C21H21N3O2S2/c1-27-21-23-18(22-13-12-15-8-4-2-5-9-15)17(20(25)26)19(24-21)28-14-16-10-6-3-7-11-16/h2-11H,12-14H2,1H3,(H,25,26)(H,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	670	n/a	n/a	n/a	n/a
Kyorin Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Partial agonist activity at human PPARgamma-LBD expressed in CHO-K1 cells co-transfected with GAL4 assessed as luciferase activity by transactivation...				J Med Chem 53: 5012-24 (2010) Article DOI: 10.1021/jm100443s BindingDB Entry DOI: 10.7270/Q24J0G3H
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50322685 (4-(Benzylthio)-2-(methylthio)-6-(2-pyridylmethylam...) Show SMILES CSc1nc(NCc2ccccn2)c(C(O)=O)c(SCc2ccccc2)n1 Show InChI InChI=1S/C19H18N4O2S2/c1-26-19-22-16(21-11-14-9-5-6-10-20-14)15(18(24)25)17(23-19)27-12-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,24,25)(H,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	250	n/a	n/a	n/a	n/a
Kyorin Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Partial agonist activity at human PPARgamma-LBD expressed in CHO-K1 cells co-transfected with GAL4 assessed as luciferase activity by transactivation...				J Med Chem 53: 5012-24 (2010) Article DOI: 10.1021/jm100443s BindingDB Entry DOI: 10.7270/Q24J0G3H
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50322692 (4-(benzylthio)-6-(cyclohexylmethylamino)-2-(methyl...) Show SMILES CSc1nc(NCC2CCCCC2)c(C(O)=O)c(SCc2ccccc2)n1 Show InChI InChI=1S/C20H25N3O2S2/c1-26-20-22-17(21-12-14-8-4-2-5-9-14)16(19(24)25)18(23-20)27-13-15-10-6-3-7-11-15/h3,6-7,10-11,14H,2,4-5,8-9,12-13H2,1H3,(H,24,25)(H,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	300	n/a	n/a	n/a	n/a
Kyorin Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Partial agonist activity at human PPARgamma-LBD expressed in CHO-K1 cells co-transfected with GAL4 assessed as luciferase activity by transactivation...				J Med Chem 53: 5012-24 (2010) Article DOI: 10.1021/jm100443s BindingDB Entry DOI: 10.7270/Q24J0G3H
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50322691 (4-(Benzylthio)-6-(cyclopropylamino)-2-(methylthio)...) Show SMILES CSc1nc(NC2CC2)c(C(O)=O)c(SCc2ccccc2)n1 Show InChI InChI=1S/C16H17N3O2S2/c1-22-16-18-13(17-11-7-8-11)12(15(20)21)14(19-16)23-9-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,20,21)(H,17,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a
Kyorin Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Partial agonist activity at human PPARgamma-LBD expressed in CHO-K1 cells co-transfected with GAL4 assessed as luciferase activity by transactivation...				J Med Chem 53: 5012-24 (2010) Article DOI: 10.1021/jm100443s BindingDB Entry DOI: 10.7270/Q24J0G3H
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50322690 (4-(Benzylthio)-2-(methylthio)-4-(propylamino)pyrim...) Show SMILES CCCNc1nc(SC)nc(SCc2ccccc2)c1C(O)=O Show InChI InChI=1S/C16H19N3O2S2/c1-3-9-17-13-12(15(20)21)14(19-16(18-13)22-2)23-10-11-7-5-4-6-8-11/h4-8H,3,9-10H2,1-2H3,(H,20,21)(H,17,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Kyorin Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Partial agonist activity at human PPARgamma-LBD expressed in CHO-K1 cells co-transfected with GAL4 assessed as luciferase activity by transactivation...				J Med Chem 53: 5012-24 (2010) Article DOI: 10.1021/jm100443s BindingDB Entry DOI: 10.7270/Q24J0G3H
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50322689 (4-(Benzylthio)-6-(methylamino)-2-(methylthio)pyrim...) Show SMILES CNc1nc(SC)nc(SCc2ccccc2)c1C(O)=O Show InChI InChI=1S/C14H15N3O2S2/c1-15-11-10(13(18)19)12(17-14(16-11)20-2)21-8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,18,19)(H,15,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Kyorin Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Partial agonist activity at human PPARgamma-LBD expressed in CHO-K1 cells co-transfected with GAL4 assessed as luciferase activity by transactivation...				J Med Chem 53: 5012-24 (2010) Article DOI: 10.1021/jm100443s BindingDB Entry DOI: 10.7270/Q24J0G3H
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50322688 (4-(Benzylthio)-2-(methylthio)-6-(4-pyridylmethylam...) Show SMILES CSc1nc(NCc2ccncc2)c(C(O)=O)c(SCc2ccccc2)n1 Show InChI InChI=1S/C19H18N4O2S2/c1-26-19-22-16(21-11-13-7-9-20-10-8-13)15(18(24)25)17(23-19)27-12-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,24,25)(H,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a
Kyorin Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Partial agonist activity at human PPARgamma-LBD expressed in CHO-K1 cells co-transfected with GAL4 assessed as luciferase activity by transactivation...				J Med Chem 53: 5012-24 (2010) Article DOI: 10.1021/jm100443s BindingDB Entry DOI: 10.7270/Q24J0G3H
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50325983 (6-(2-(4-(2,4-dichlorophenyl)-5-(4-methyl-1H-imidaz...) Show SMILES Cc1c[nH]c(n1)-c1cnc(NCCNc2ccc(cn2)C#N)nc1-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C22H18Cl2N8/c1-13-10-29-21(31-13)17-12-30-22(32-20(17)16-4-3-15(23)8-18(16)24)27-7-6-26-19-5-2-14(9-25)11-28-19/h2-5,8,10-12H,6-7H2,1H3,(H,26,28)(H,29,31)(H,27,30,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a
Kyorin Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of GSK3-beta in human HepG2 cells assessed as incorporation of [3H]glucose into glycogen after 3 hrs by liquid scintillation counting				Bioorg Med Chem 20: 1188-200 (2012) Article DOI: 10.1016/j.bmc.2011.12.046 BindingDB Entry DOI: 10.7270/Q29W0FXV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50362882 (CHEMBL1940908) Show SMILES CC1CC2(CCC2)n2cc(C(O)=O)c(=O)c3c(N)c(F)c(NCCNc4ccccn4)c(O1)c23 Show InChI InChI=1S/C24H26FN5O4/c1-13-11-24(6-4-7-24)30-12-14(23(32)33)21(31)16-18(26)17(25)19(22(34-13)20(16)30)29-10-9-28-15-5-2-3-8-27-15/h2-3,5,8,12-13,29H,4,6-7,9-11,26H2,1H3,(H,27,28)(H,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a
Kyorin Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of GSK3-beta in human HepG2 cells assessed as incorporation of [3H]glucose into glycogen after 3 hrs by liquid scintillation counting				Bioorg Med Chem 20: 1188-200 (2012) Article DOI: 10.1016/j.bmc.2011.12.046 BindingDB Entry DOI: 10.7270/Q29W0FXV
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50362879 (CHEMBL1940905) Show SMILES Nc1c(F)c(NCCNc2ccccn2)c2OCCC3(CCC3)n3cc(C(O)=O)c(=O)c1c23 Show InChI InChI=1S/C23H24FN5O4/c24-16-17(25)15-19-21(18(16)28-10-9-27-14-4-1-2-8-26-14)33-11-7-23(5-3-6-23)29(19)12-13(20(15)30)22(31)32/h1-2,4,8,12,28H,3,5-7,9-11,25H2,(H,26,27)(H,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a
Kyorin Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of GSK3-beta in human HepG2 cells assessed as incorporation of [3H]glucose into glycogen after 3 hrs by liquid scintillation counting				Bioorg Med Chem 20: 1188-200 (2012) Article DOI: 10.1016/j.bmc.2011.12.046 BindingDB Entry DOI: 10.7270/Q29W0FXV
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50354779 (CHEMBL1834330) Show SMILES Nc1c(F)c(NCCNc2ccccn2)c2OCC3(CCCC3)n3cc(C(O)=O)c(=O)c1c23 Show InChI InChI=1S/C23H24FN5O4/c24-16-17(25)15-19-21(18(16)28-10-9-27-14-5-1-4-8-26-14)33-12-23(6-2-3-7-23)29(19)11-13(20(15)30)22(31)32/h1,4-5,8,11,28H,2-3,6-7,9-10,12,25H2,(H,26,27)(H,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a
Kyorin Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of GSK3-beta in human HepG2 cells assessed as incorporation of [3H]glucose into glycogen after 3 hrs by liquid scintillation counting				Bioorg Med Chem 20: 1188-200 (2012) Article DOI: 10.1016/j.bmc.2011.12.046 BindingDB Entry DOI: 10.7270/Q29W0FXV
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50362881 (CHEMBL1940907) Show SMILES CC1COc2c(NCCNc3ccccn3)c(F)c(N)c3c2n(cc(C(O)=O)c3=O)C11CCC1 Show InChI InChI=1S/C24H26FN5O4/c1-13-12-34-22-19(29-10-9-28-15-5-2-3-8-27-15)17(25)18(26)16-20(22)30(24(13)6-4-7-24)11-14(21(16)31)23(32)33/h2-3,5,8,11,13,29H,4,6-7,9-10,12,26H2,1H3,(H,27,28)(H,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a
Kyorin Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of GSK3-beta in human HepG2 cells assessed as incorporation of [3H]glucose into glycogen after 3 hrs by liquid scintillation counting				Bioorg Med Chem 20: 1188-200 (2012) Article DOI: 10.1016/j.bmc.2011.12.046 BindingDB Entry DOI: 10.7270/Q29W0FXV
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50362878 (CHEMBL1940904) Show SMILES Nc1c(F)c(NCCNc2ccccn2)c2OCCC3(CCCC3)n3cc(C(O)=O)c(=O)c1c23 Show InChI InChI=1S/C24H26FN5O4/c25-17-18(26)16-20-22(19(17)29-11-10-28-15-5-1-4-9-27-15)34-12-8-24(6-2-3-7-24)30(20)13-14(21(16)31)23(32)33/h1,4-5,9,13,29H,2-3,6-8,10-12,26H2,(H,27,28)(H,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a
Kyorin Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of GSK3-beta in human HepG2 cells assessed as incorporation of [3H]glucose into glycogen after 3 hrs by liquid scintillation counting				Bioorg Med Chem 20: 1188-200 (2012) Article DOI: 10.1016/j.bmc.2011.12.046 BindingDB Entry DOI: 10.7270/Q29W0FXV
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50322694 (4-(Benzylamino)-2-(methylthio)-6-(2-thienyl)pyrimi...) Show SMILES CSc1nc(NCc2ccccc2)c(C(O)=O)c(n1)-c1cccs1 Show InChI InChI=1S/C17H15N3O2S2/c1-23-17-19-14(12-8-5-9-24-12)13(16(21)22)15(20-17)18-10-11-6-3-2-4-7-11/h2-9H,10H2,1H3,(H,21,22)(H,18,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Kyorin Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Partial agonist activity at human PPARgamma-LBD expressed in CHO-K1 cells co-transfected with GAL4 assessed as luciferase activity by transactivation...				J Med Chem 53: 5012-24 (2010) Article DOI: 10.1021/jm100443s BindingDB Entry DOI: 10.7270/Q24J0G3H
					More data for this Ligand-Target Pair