Compile Data Set for Download or QSAR

Found 259 hits with Last Name = 'snell' and Initial = 'gp'   

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
Baculoviral IAP repeat-containing protein 3 (Homo sapiens (Human))	BDBM50425719 (CHEMBL2316217) Show SMILES CCO[C@@H]1C[C@@H]2CN([C@@H](CN2C1)C(=O)N[C@@H]1CCOc2ccccc12)C(=O)[C@@H](NC(=O)[C@H](C)NC)C1CCC(F)(F)CC1 |r| Show InChI InChI=1S/C31H45F2N5O5/c1-4-42-22-15-21-16-38(30(41)27(36-28(39)19(2)34-3)20-9-12-31(32,33)13-10-20)25(18-37(21)17-22)29(40)35-24-11-14-43-26-8-6-5-7-23(24)26/h5-8,19-22,24-25,27,34H,4,9-18H2,1-3H3,(H,35,40)(H,36,39)/t19-,21+,22+,24+,25-,27-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged cIAP1 protein BIR3 domain (250 to 350 amino acid residues) using biotinylated-Smac as substrate after over...				J Med Chem 56: 1228-46 (2013) Article DOI: 10.1021/jm301674z BindingDB Entry DOI: 10.7270/Q23N24QX
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3 (Homo sapiens (Human))	BDBM50425721 (CHEMBL2311586) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCC(F)(F)CC1)C(=O)N1C[C@H]2CC(F)(F)CN2C[C@H]1C(=O)N[C@@H]1CCOc2ccccc12 |r| Show InChI InChI=1S/C29H39F4N5O4/c1-17(34-2)25(39)36-24(18-7-10-28(30,31)11-8-18)27(41)38-14-19-13-29(32,33)16-37(19)15-22(38)26(40)35-21-9-12-42-23-6-4-3-5-20(21)23/h3-6,17-19,21-22,24,34H,7-16H2,1-2H3,(H,35,40)(H,36,39)/t17-,19+,21+,22-,24-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged cIAP1 protein BIR3 domain (250 to 350 amino acid residues) using biotinylated-Smac as substrate after over...				J Med Chem 56: 1228-46 (2013) Article DOI: 10.1021/jm301674z BindingDB Entry DOI: 10.7270/Q23N24QX
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3 (Homo sapiens (Human))	BDBM50425728 (CHEMBL2365533) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H]2CCCN2C[C@H]1C(=O)N[C@@H]1CCOc2ccccc12 |r| Show InChI InChI=1S/C29H43N5O4/c1-19(30-2)27(35)32-26(20-9-4-3-5-10-20)29(37)34-17-21-11-8-15-33(21)18-24(34)28(36)31-23-14-16-38-25-13-7-6-12-22(23)25/h6-7,12-13,19-21,23-24,26,30H,3-5,8-11,14-18H2,1-2H3,(H,31,36)(H,32,35)/t19-,21+,23+,24-,26-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged cIAP1 protein BIR3 domain (250 to 350 amino acid residues) using biotinylated-Smac as substrate after over...				J Med Chem 56: 1228-46 (2013) Article DOI: 10.1021/jm301674z BindingDB Entry DOI: 10.7270/Q23N24QX
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM31587 (oxadiazole derivative, 20x) Show SMILES COc1ccc(cc1)-n1cnc2ccc(cc12)-c1nnc(SCc2cccc(c2)C#N)o1 Show InChI InChI=1S/C24H17N5O2S/c1-30-20-8-6-19(7-9-20)29-15-26-21-10-5-18(12-22(21)29)23-27-28-24(31-23)32-14-17-4-2-3-16(11-17)13-25/h2-12,15H,14H2,1H3	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	2.30	n/a	n/a	n/a	n/a	7.5	37
Takeda Pharmaceutical Company Ltd.					Assay Description Human GSK-3beta was expressed as the N-terminal FLAG-tagged protein using a baculovirus expression system. The kinase assay was was conducted in a 96...				Bioorg Med Chem 17: 2017-29 (2009) Article DOI: 10.1016/j.bmc.2009.01.019 BindingDB Entry DOI: 10.7270/Q2DR2STZ
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3 (Homo sapiens (Human))	BDBM50425722 (CHEMBL2316215) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCC(F)(F)CC1)C(=O)N1C[C@@H]2CCCN2C[C@H]1C(=O)N[C@@H]1CCOc2ccccc12 |r| Show InChI InChI=1S/C29H41F2N5O4/c1-18(32-2)26(37)34-25(19-9-12-29(30,31)13-10-19)28(39)36-16-20-6-5-14-35(20)17-23(36)27(38)33-22-11-15-40-24-8-4-3-7-21(22)24/h3-4,7-8,18-20,22-23,25,32H,5-6,9-17H2,1-2H3,(H,33,38)(H,34,37)/t18-,20-,22+,23-,25-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged cIAP1 protein BIR3 domain (250 to 350 amino acid residues) using biotinylated-Smac as substrate after over...				J Med Chem 56: 1228-46 (2013) Article DOI: 10.1021/jm301674z BindingDB Entry DOI: 10.7270/Q23N24QX
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM31586 (oxadiazole derivative, 20w) Show SMILES COc1ccc(cc1)-n1cnc2ccc(cc12)-c1nnc(SCc2cccc(c2)C(F)(F)F)o1 Show InChI InChI=1S/C24H17F3N4O2S/c1-32-19-8-6-18(7-9-19)31-14-28-20-10-5-16(12-21(20)31)22-29-30-23(33-22)34-13-15-3-2-4-17(11-15)24(25,26)27/h2-12,14H,13H2,1H3	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	2.5	n/a	n/a	n/a	n/a	7.5	37
Takeda Pharmaceutical Company Ltd.					Assay Description Human GSK-3beta was expressed as the N-terminal FLAG-tagged protein using a baculovirus expression system. The kinase assay was was conducted in a 96...				Bioorg Med Chem 17: 2017-29 (2009) Article DOI: 10.1016/j.bmc.2009.01.019 BindingDB Entry DOI: 10.7270/Q2DR2STZ
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3 (Homo sapiens (Human))	BDBM50425725 (CHEMBL2316224) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H]2CCCN2C[C@H]1C(=O)N[C@@H]1CCOc2ccccc12)c1ccccc1 |r| Show InChI InChI=1S/C29H37N5O4/c1-19(30-2)27(35)32-26(20-9-4-3-5-10-20)29(37)34-17-21-11-8-15-33(21)18-24(34)28(36)31-23-14-16-38-25-13-7-6-12-22(23)25/h3-7,9-10,12-13,19,21,23-24,26,30H,8,11,14-18H2,1-2H3,(H,31,36)(H,32,35)/t19-,21+,23+,24-,26-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged cIAP1 protein BIR3 domain (250 to 350 amino acid residues) using biotinylated-Smac as substrate after over...				J Med Chem 56: 1228-46 (2013) Article DOI: 10.1021/jm301674z BindingDB Entry DOI: 10.7270/Q23N24QX
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3 (Homo sapiens (Human))	BDBM50425730 (CHEMBL2316219) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H]2CCCN2C[C@H]1C(=O)N[C@@H]1CCCc2ccccc12 |r| Show InChI InChI=1S/C30H45N5O3/c1-20(31-2)28(36)33-27(22-11-4-3-5-12-22)30(38)35-18-23-14-9-17-34(23)19-26(35)29(37)32-25-16-8-13-21-10-6-7-15-24(21)25/h6-7,10,15,20,22-23,25-27,31H,3-5,8-9,11-14,16-19H2,1-2H3,(H,32,37)(H,33,36)/t20-,23+,25+,26-,27-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged cIAP1 protein BIR3 domain (250 to 350 amino acid residues) using biotinylated-Smac as substrate after over...				J Med Chem 56: 1228-46 (2013) Article DOI: 10.1021/jm301674z BindingDB Entry DOI: 10.7270/Q23N24QX
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM31578 (oxadiazole derivative, 20o) Show SMILES COc1ccc(CSc2nnc(o2)-c2ccc3ncsc3c2)cc1C(F)(F)F Show InChI InChI=1S/C18H12F3N3O2S2/c1-25-14-5-2-10(6-12(14)18(19,20)21)8-27-17-24-23-16(26-17)11-3-4-13-15(7-11)28-9-22-13/h2-7,9H,8H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	7.5	37
Takeda Pharmaceutical Company Ltd.					Assay Description Human GSK-3beta was expressed as the N-terminal FLAG-tagged protein using a baculovirus expression system. The kinase assay was was conducted in a 96...				Bioorg Med Chem 17: 2017-29 (2009) Article DOI: 10.1016/j.bmc.2009.01.019 BindingDB Entry DOI: 10.7270/Q2DR2STZ
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3 (Homo sapiens (Human))	BDBM50425724 (CHEMBL2316213) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCC(F)(F)CC1)C(=O)N1C[C@H]2CCCN2C[C@H]1C(=O)N[C@@H]1CCOc2ccccc12 |r| Show InChI InChI=1S/C29H41F2N5O4/c1-18(32-2)26(37)34-25(19-9-12-29(30,31)13-10-19)28(39)36-16-20-6-5-14-35(20)17-23(36)27(38)33-22-11-15-40-24-8-4-3-7-21(22)24/h3-4,7-8,18-20,22-23,25,32H,5-6,9-17H2,1-2H3,(H,33,38)(H,34,37)/t18-,20+,22+,23-,25-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged cIAP1 protein BIR3 domain (250 to 350 amino acid residues) using biotinylated-Smac as substrate after over...				J Med Chem 56: 1228-46 (2013) Article DOI: 10.1021/jm301674z BindingDB Entry DOI: 10.7270/Q23N24QX
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3 (Homo sapiens (Human))	BDBM50425723 (CHEMBL2316214) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCOCC1)C(=O)N1C[C@H]2CCCN2C[C@H]1C(=O)N[C@@H]1CCOc2ccccc12 |r| Show InChI InChI=1S/C28H41N5O5/c1-18(29-2)26(34)31-25(19-9-13-37-14-10-19)28(36)33-16-20-6-5-12-32(20)17-23(33)27(35)30-22-11-15-38-24-8-4-3-7-21(22)24/h3-4,7-8,18-20,22-23,25,29H,5-6,9-17H2,1-2H3,(H,30,35)(H,31,34)/t18-,20+,22+,23-,25-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged cIAP1 protein BIR3 domain (250 to 350 amino acid residues) using biotinylated-Smac as substrate after over...				J Med Chem 56: 1228-46 (2013) Article DOI: 10.1021/jm301674z BindingDB Entry DOI: 10.7270/Q23N24QX
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM31584 (oxadiazole derivative, 20u) Show SMILES COc1ccc(cc1)-c1coc2ccc(cc12)-c1nnc(SCc2cccc(c2)C#N)o1 Show InChI InChI=1S/C25H17N3O3S/c1-29-20-8-5-18(6-9-20)22-14-30-23-10-7-19(12-21(22)23)24-27-28-25(31-24)32-15-17-4-2-3-16(11-17)13-26/h2-12,14H,15H2,1H3	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	3.5	n/a	n/a	n/a	n/a	7.5	37
Takeda Pharmaceutical Company Ltd.					Assay Description Human GSK-3beta was expressed as the N-terminal FLAG-tagged protein using a baculovirus expression system. The kinase assay was was conducted in a 96...				Bioorg Med Chem 17: 2017-29 (2009) Article DOI: 10.1016/j.bmc.2009.01.019 BindingDB Entry DOI: 10.7270/Q2DR2STZ
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3 (Homo sapiens (Human))	BDBM50425727 (CHEMBL2316222) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H]2CCCN2C[C@H]1C(=O)N[C@@H]1CCC(F)(F)c2ccccc12 |r| Show InChI InChI=1S/C30H43F2N5O3/c1-19(33-2)27(38)35-26(20-9-4-3-5-10-20)29(40)37-17-21-11-8-16-36(21)18-25(37)28(39)34-24-14-15-30(31,32)23-13-7-6-12-22(23)24/h6-7,12-13,19-21,24-26,33H,3-5,8-11,14-18H2,1-2H3,(H,34,39)(H,35,38)/t19-,21+,24+,25-,26-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged cIAP1 protein BIR3 domain (250 to 350 amino acid residues) using biotinylated-Smac as substrate after over...				J Med Chem 56: 1228-46 (2013) Article DOI: 10.1021/jm301674z BindingDB Entry DOI: 10.7270/Q23N24QX
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3 (Homo sapiens (Human))	BDBM50425720 (CHEMBL2316216) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCC(F)(F)CC1)C(=O)N1C[C@H]2C[C@@H](O)CN2C[C@H]1C(=O)N[C@@H]1CCOc2ccccc12 |r| Show InChI InChI=1S/C29H41F2N5O5/c1-17(32-2)26(38)34-25(18-7-10-29(30,31)11-8-18)28(40)36-14-19-13-20(37)15-35(19)16-23(36)27(39)33-22-9-12-41-24-6-4-3-5-21(22)24/h3-6,17-20,22-23,25,32,37H,7-16H2,1-2H3,(H,33,39)(H,34,38)/t17-,19+,20+,22+,23-,25-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged cIAP1 protein BIR3 domain (250 to 350 amino acid residues) using biotinylated-Smac as substrate after over...				J Med Chem 56: 1228-46 (2013) Article DOI: 10.1021/jm301674z BindingDB Entry DOI: 10.7270/Q23N24QX
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM31577 (oxadiazole derivative, 20n) Show SMILES COc1ccc(CSc2nnc(o2)-c2ccc3occc3c2)cc1C(F)(F)F Show InChI InChI=1S/C19H13F3N2O3S/c1-25-16-4-2-11(8-14(16)19(20,21)22)10-28-18-24-23-17(27-18)13-3-5-15-12(9-13)6-7-26-15/h2-9H,10H2,1H3	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	4.90	n/a	n/a	n/a	n/a	7.5	37
Takeda Pharmaceutical Company Ltd.					Assay Description Human GSK-3beta was expressed as the N-terminal FLAG-tagged protein using a baculovirus expression system. The kinase assay was was conducted in a 96...				Bioorg Med Chem 17: 2017-29 (2009) Article DOI: 10.1016/j.bmc.2009.01.019 BindingDB Entry DOI: 10.7270/Q2DR2STZ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM31572 (oxadiazole derivative, 20m) Show SMILES COc1ccc(CSc2nnc(o2)-c2ccc3OCCc3c2)cc1C(F)(F)F Show InChI InChI=1S/C19H15F3N2O3S/c1-25-16-4-2-11(8-14(16)19(20,21)22)10-28-18-24-23-17(27-18)13-3-5-15-12(9-13)6-7-26-15/h2-5,8-9H,6-7,10H2,1H3	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	5.70	n/a	n/a	n/a	n/a	7.5	37
Takeda Pharmaceutical Company Ltd.					Assay Description Human GSK-3beta was expressed as the N-terminal FLAG-tagged protein using a baculovirus expression system. The kinase assay was was conducted in a 96...				Bioorg Med Chem 17: 2017-29 (2009) Article DOI: 10.1016/j.bmc.2009.01.019 BindingDB Entry DOI: 10.7270/Q2DR2STZ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM31580 (oxadiazole derivative, 20q) Show SMILES COc1ccc(CSc2nnc(o2)-c2ccc3nccn3c2)cc1C(F)(F)F Show InChI InChI=1S/C18H13F3N4O2S/c1-26-14-4-2-11(8-13(14)18(19,20)21)10-28-17-24-23-16(27-17)12-3-5-15-22-6-7-25(15)9-12/h2-9H,10H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.5	n/a	n/a	n/a	n/a	7.5	37
Takeda Pharmaceutical Company Ltd.					Assay Description Human GSK-3beta was expressed as the N-terminal FLAG-tagged protein using a baculovirus expression system. The kinase assay was was conducted in a 96...				Bioorg Med Chem 17: 2017-29 (2009) Article DOI: 10.1016/j.bmc.2009.01.019 BindingDB Entry DOI: 10.7270/Q2DR2STZ
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3 (Homo sapiens (Human))	BDBM50425726 (CHEMBL2316223) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H]2CCCN2C[C@H]1C(=O)N[C@@H]1CCC(=O)c2ccccc12 |r| Show InChI InChI=1S/C30H43N5O4/c1-19(31-2)28(37)33-27(20-9-4-3-5-10-20)30(39)35-17-21-11-8-16-34(21)18-25(35)29(38)32-24-14-15-26(36)23-13-7-6-12-22(23)24/h6-7,12-13,19-21,24-25,27,31H,3-5,8-11,14-18H2,1-2H3,(H,32,38)(H,33,37)/t19-,21+,24+,25-,27-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.60	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged cIAP1 protein BIR3 domain (250 to 350 amino acid residues) using biotinylated-Smac as substrate after over...				J Med Chem 56: 1228-46 (2013) Article DOI: 10.1021/jm301674z BindingDB Entry DOI: 10.7270/Q23N24QX
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM31583 (oxadiazole derivative, 20t) Show SMILES COc1ccc(cc1)-c1coc2ccc(cc12)-c1nnc(SCc2cccc(c2)C(F)(F)F)o1 Show InChI InChI=1S/C25H17F3N2O3S/c1-31-19-8-5-16(6-9-19)21-13-32-22-10-7-17(12-20(21)22)23-29-30-24(33-23)34-14-15-3-2-4-18(11-15)25(26,27)28/h2-13H,14H2,1H3	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	8.40	n/a	n/a	n/a	n/a	7.5	37
Takeda Pharmaceutical Company Ltd.					Assay Description Human GSK-3beta was expressed as the N-terminal FLAG-tagged protein using a baculovirus expression system. The kinase assay was was conducted in a 96...				Bioorg Med Chem 17: 2017-29 (2009) Article DOI: 10.1016/j.bmc.2009.01.019 BindingDB Entry DOI: 10.7270/Q2DR2STZ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM31585 (oxadiazole derivative, 20v) Show SMILES COc1ccc(cc1)-n1cnc2ccc(cc12)-c1nnc(SCc2ccc(OC)c(c2)C(F)(F)F)o1 Show InChI InChI=1S/C25H19F3N4O3S/c1-33-18-7-5-17(6-8-18)32-14-29-20-9-4-16(12-21(20)32)23-30-31-24(35-23)36-13-15-3-10-22(34-2)19(11-15)25(26,27)28/h3-12,14H,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	8.60	n/a	n/a	n/a	n/a	7.5	37
Takeda Pharmaceutical Company Ltd.					Assay Description Human GSK-3beta was expressed as the N-terminal FLAG-tagged protein using a baculovirus expression system. The kinase assay was was conducted in a 96...				Bioorg Med Chem 17: 2017-29 (2009) Article DOI: 10.1016/j.bmc.2009.01.019 BindingDB Entry DOI: 10.7270/Q2DR2STZ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM31588 (oxadiazole derivative, 20y) Show SMILES Cn1cnc2ccc(cc12)-c1nnc(SCc2cccc(c2)C(F)(F)F)o1 Show InChI InChI=1S/C18H13F3N4OS/c1-25-10-22-14-6-5-12(8-15(14)25)16-23-24-17(26-16)27-9-11-3-2-4-13(7-11)18(19,20)21/h2-8,10H,9H2,1H3	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	9.40	n/a	n/a	n/a	n/a	7.5	37
Takeda Pharmaceutical Company Ltd.					Assay Description Human GSK-3beta was expressed as the N-terminal FLAG-tagged protein using a baculovirus expression system. The kinase assay was was conducted in a 96...				Bioorg Med Chem 17: 2017-29 (2009) Article DOI: 10.1016/j.bmc.2009.01.019 BindingDB Entry DOI: 10.7270/Q2DR2STZ
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50361337 (CHEMBL1933845) Show SMILES CCCCCS(=O)(=O)NC(=O)\C=C\c1cc(nn1Cc1ccc(cc1Cl)C(F)(F)F)C1CC1 Show InChI InChI=1S/C22H25ClF3N3O3S/c1-2-3-4-11-33(31,32)28-21(30)10-9-18-13-20(15-5-6-15)27-29(18)14-16-7-8-17(12-19(16)23)22(24,25)26/h7-10,12-13,15H,2-6,11,14H2,1H3,(H,28,30)/b10-9+	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	12	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Displacement of [3H]-AD-5061 from human GST-tagged PPARgamma				Bioorg Med Chem 20: 714-33 (2012) Article DOI: 10.1016/j.bmc.2011.12.008 BindingDB Entry DOI: 10.7270/Q2PK0GK3
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM31570 (oxadiazole derivative, 20k) Show SMILES COc1ccc(CSc2nnc(o2)-c2ccc3OCCc3c2)cc1Cl Show InChI InChI=1S/C18H15ClN2O3S/c1-22-16-4-2-11(8-14(16)19)10-25-18-21-20-17(24-18)13-3-5-15-12(9-13)6-7-23-15/h2-5,8-9H,6-7,10H2,1H3	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	13	n/a	n/a	n/a	n/a	7.5	37
Takeda Pharmaceutical Company Ltd.					Assay Description Human GSK-3beta was expressed as the N-terminal FLAG-tagged protein using a baculovirus expression system. The kinase assay was was conducted in a 96...				Bioorg Med Chem 17: 2017-29 (2009) Article DOI: 10.1016/j.bmc.2009.01.019 BindingDB Entry DOI: 10.7270/Q2DR2STZ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50299079 (5-{3-[4-(Methylsulfinyl)phenyl]-1-benzofuran-5-yl}...) Show SMILES CS(=O)c1ccc(cc1)-c1coc2ccc(cc12)-c1nnc(N)o1 Show InChI InChI=1S/C17H13N3O3S/c1-24(21)12-5-2-10(3-6-12)14-9-22-15-7-4-11(8-13(14)15)16-19-20-17(18)23-16/h2-9H,1H3,(H2,18,20)	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	13	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK3-beta				J Med Chem 52: 6270-86 (2009) Article DOI: 10.1021/jm900647e BindingDB Entry DOI: 10.7270/Q2CZ377V
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3 (Homo sapiens (Human))	BDBM50425731 (CHEMBL2316218) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H]2CCCN2C[C@H]1C(=O)N[C@H](C)c1ccccc1 |r| Show InChI InChI=1S/C28H43N5O3/c1-19(21-11-6-4-7-12-21)30-27(35)24-18-32-16-10-15-23(32)17-33(24)28(36)25(22-13-8-5-9-14-22)31-26(34)20(2)29-3/h4,6-7,11-12,19-20,22-25,29H,5,8-10,13-18H2,1-3H3,(H,30,35)(H,31,34)/t19-,20+,23-,24+,25+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged cIAP1 protein BIR3 domain (250 to 350 amino acid residues) using biotinylated-Smac as substrate after over...				J Med Chem 56: 1228-46 (2013) Article DOI: 10.1021/jm301674z BindingDB Entry DOI: 10.7270/Q23N24QX
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50361338 (CHEMBL1933842) Show SMILES CC(C)CCS(=O)(=O)NC(=O)\C=C\c1cc(OC(C)C)nn1Cc1ccc(cc1Cl)C(F)(F)F Show InChI InChI=1S/C22H27ClF3N3O4S/c1-14(2)9-10-34(31,32)28-20(30)8-7-18-12-21(33-15(3)4)27-29(18)13-16-5-6-17(11-19(16)23)22(24,25)26/h5-8,11-12,14-15H,9-10,13H2,1-4H3,(H,28,30)/b8-7+	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	15	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Displacement of [3H]-AD-5061 from human GST-tagged PPARgamma				Bioorg Med Chem 20: 714-33 (2012) Article DOI: 10.1016/j.bmc.2011.12.008 BindingDB Entry DOI: 10.7270/Q2PK0GK3
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM31579 (oxadiazole derivative, 20p) Show SMILES COc1ccc(CSc2nnc(o2)-c2ccc3[nH]ncc3c2)cc1C(F)(F)F Show InChI InChI=1S/C18H13F3N4O2S/c1-26-15-5-2-10(6-13(15)18(19,20)21)9-28-17-25-24-16(27-17)11-3-4-14-12(7-11)8-22-23-14/h2-8H,9H2,1H3,(H,22,23)	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	16	n/a	n/a	n/a	n/a	7.5	37
Takeda Pharmaceutical Company Ltd.					Assay Description Human GSK-3beta was expressed as the N-terminal FLAG-tagged protein using a baculovirus expression system. The kinase assay was was conducted in a 96...				Bioorg Med Chem 17: 2017-29 (2009) Article DOI: 10.1016/j.bmc.2009.01.019 BindingDB Entry DOI: 10.7270/Q2DR2STZ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM31581 (oxadiazole derivative, 20r) Show SMILES COc1ccc(CSc2nnc(o2)-c2ccc3ncccc3c2)cc1C(F)(F)F Show InChI InChI=1S/C20H14F3N3O2S/c1-27-17-7-4-12(9-15(17)20(21,22)23)11-29-19-26-25-18(28-19)14-5-6-16-13(10-14)3-2-8-24-16/h2-10H,11H2,1H3	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	18	n/a	n/a	n/a	n/a	7.5	37
Takeda Pharmaceutical Company Ltd.					Assay Description Human GSK-3beta was expressed as the N-terminal FLAG-tagged protein using a baculovirus expression system. The kinase assay was was conducted in a 96...				Bioorg Med Chem 17: 2017-29 (2009) Article DOI: 10.1016/j.bmc.2009.01.019 BindingDB Entry DOI: 10.7270/Q2DR2STZ
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50443808 (CHEMBL3094405) Show SMILES CC[C@H](NC)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@@H]2Cc3cc(ccc3N2C[C@H]1C(=O)N[C@@H]1CCOc2ccccc12)C#N |r| Show InChI InChI=1S/C35H44N6O4/c1-3-27(37-2)33(42)39-32(23-9-5-4-6-10-23)35(44)41-20-25-18-24-17-22(19-36)13-14-29(24)40(25)21-30(41)34(43)38-28-15-16-45-31-12-8-7-11-26(28)31/h7-8,11-14,17,23,25,27-28,30,32,37H,3-6,9-10,15-16,18,20-21H2,1-2H3,(H,38,43)(H,39,42)/t25-,27-,28+,30-,32-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal His-tagged XIAP BIR3 domain (252 to 356) using AVPIAQ-K(biotin)-NH2 as substrate after overnight incubatio...				Bioorg Med Chem 21: 7938-54 (2013) Article DOI: 10.1016/j.bmc.2013.09.067 BindingDB Entry DOI: 10.7270/Q2833TGG
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50443812 (CHEMBL3094408) Show SMILES CC[C@H](NC)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@@H]2Cc3ccccc3N2C[C@H]1C(=O)N[C@@H]1CCOc2ccccc12 |r| Show InChI InChI=1S/C34H45N5O4/c1-3-26(35-2)32(40)37-31(22-11-5-4-6-12-22)34(42)39-20-24-19-23-13-7-9-15-28(23)38(24)21-29(39)33(41)36-27-17-18-43-30-16-10-8-14-25(27)30/h7-10,13-16,22,24,26-27,29,31,35H,3-6,11-12,17-21H2,1-2H3,(H,36,41)(H,37,40)/t24-,26-,27+,29-,31-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal His-tagged XIAP BIR3 domain (252 to 356) using AVPIAQ-K(biotin)-NH2 as substrate after overnight incubatio...				Bioorg Med Chem 21: 7938-54 (2013) Article DOI: 10.1016/j.bmc.2013.09.067 BindingDB Entry DOI: 10.7270/Q2833TGG
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50299083 ((S)-3-(4-(ethylsulfinyl)phenyl)-5-(5-methylfuran-2...) Show SMILES CC[S@](=O)c1ccc(cc1)-c1coc2ccc(cc12)-c1ccc(C)o1 |r| Show InChI InChI=1S/C21H18O3S/c1-3-25(22)17-8-5-15(6-9-17)19-13-23-21-11-7-16(12-18(19)21)20-10-4-14(2)24-20/h4-13H,3H2,1-2H3/t25-/m0/s1	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	20	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK3-beta				J Med Chem 52: 6270-86 (2009) Article DOI: 10.1021/jm900647e BindingDB Entry DOI: 10.7270/Q2CZ377V
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50361340 (CHEMBL1933822) Show SMILES CCCCCS(=O)(=O)NC(=O)CCc1cc(OC(C)C)nn1Cc1ccc(cc1Cl)C(F)(F)F Show InChI InChI=1S/C22H29ClF3N3O4S/c1-4-5-6-11-34(31,32)28-20(30)10-9-18-13-21(33-15(2)3)27-29(18)14-16-7-8-17(12-19(16)23)22(24,25)26/h7-8,12-13,15H,4-6,9-11,14H2,1-3H3,(H,28,30)	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	21	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Displacement of [3H]-AD-5061 from human GST-tagged PPARgamma				Bioorg Med Chem 20: 714-33 (2012) Article DOI: 10.1016/j.bmc.2011.12.008 BindingDB Entry DOI: 10.7270/Q2PK0GK3
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50443807 (CHEMBL3094404) Show SMILES CC[C@H](NC)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@@H]2Cc3cc(Cl)ccc3N2C[C@H]1C(=O)N[C@@H]1CCOc2ccccc12 |r| Show InChI InChI=1S/C34H44ClN5O4/c1-3-26(36-2)32(41)38-31(21-9-5-4-6-10-21)34(43)40-19-24-18-22-17-23(35)13-14-28(22)39(24)20-29(40)33(42)37-27-15-16-44-30-12-8-7-11-25(27)30/h7-8,11-14,17,21,24,26-27,29,31,36H,3-6,9-10,15-16,18-20H2,1-2H3,(H,37,42)(H,38,41)/t24-,26-,27+,29-,31-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal His-tagged XIAP BIR3 domain (252 to 356) using AVPIAQ-K(biotin)-NH2 as substrate after overnight incubatio...				Bioorg Med Chem 21: 7938-54 (2013) Article DOI: 10.1016/j.bmc.2013.09.067 BindingDB Entry DOI: 10.7270/Q2833TGG
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50361339 (CHEMBL1933841) Show SMILES CCCCCS(=O)(=O)NC(=O)\C=C\c1cc(OC(C)C)nn1Cc1ccc(cc1Cl)C(F)(F)F Show InChI InChI=1S/C22H27ClF3N3O4S/c1-4-5-6-11-34(31,32)28-20(30)10-9-18-13-21(33-15(2)3)27-29(18)14-16-7-8-17(12-19(16)23)22(24,25)26/h7-10,12-13,15H,4-6,11,14H2,1-3H3,(H,28,30)/b10-9+	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	23	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Displacement of [3H]-AD-5061 from human GST-tagged PPARgamma				Bioorg Med Chem 20: 714-33 (2012) Article DOI: 10.1016/j.bmc.2011.12.008 BindingDB Entry DOI: 10.7270/Q2PK0GK3
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM31582 (oxadiazole derivative, 20s) Show SMILES COc1ccc(cc1)-c1coc2ccc(cc12)-c1nnc(SCc2ccc(OC)c(c2)C(F)(F)F)o1 Show InChI InChI=1S/C26H19F3N2O4S/c1-32-18-7-4-16(5-8-18)20-13-34-22-10-6-17(12-19(20)22)24-30-31-25(35-24)36-14-15-3-9-23(33-2)21(11-15)26(27,28)29/h3-13H,14H2,1-2H3	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	25	n/a	n/a	n/a	n/a	7.5	37
Takeda Pharmaceutical Company Ltd.					Assay Description Human GSK-3beta was expressed as the N-terminal FLAG-tagged protein using a baculovirus expression system. The kinase assay was was conducted in a 96...				Bioorg Med Chem 17: 2017-29 (2009) Article DOI: 10.1016/j.bmc.2009.01.019 BindingDB Entry DOI: 10.7270/Q2DR2STZ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM31571 (oxadiazole derivative, 20l) Show SMILES COc1ccc(CSc2nnc(o2)-c2ccc3OCCc3c2)cc1C#N Show InChI InChI=1S/C19H15N3O3S/c1-23-16-4-2-12(8-15(16)10-20)11-26-19-22-21-18(25-19)14-3-5-17-13(9-14)6-7-24-17/h2-5,8-9H,6-7,11H2,1H3	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	28	n/a	n/a	n/a	n/a	7.5	37
Takeda Pharmaceutical Company Ltd.					Assay Description Human GSK-3beta was expressed as the N-terminal FLAG-tagged protein using a baculovirus expression system. The kinase assay was was conducted in a 96...				Bioorg Med Chem 17: 2017-29 (2009) Article DOI: 10.1016/j.bmc.2009.01.019 BindingDB Entry DOI: 10.7270/Q2DR2STZ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50299081 ((S)-5-(5-methylfuran-2-yl)-3-(4-(methylsulfinyl)ph...) Show SMILES Cc1ccc(o1)-c1ccc2occ(-c3ccc(cc3)[S@](C)=O)c2c1 |r| Show InChI InChI=1S/C20H16O3S/c1-13-3-9-19(23-13)15-6-10-20-17(11-15)18(12-22-20)14-4-7-16(8-5-14)24(2)21/h3-12H,1-2H3/t24-/m0/s1	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	34	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK3-beta				J Med Chem 52: 6270-86 (2009) Article DOI: 10.1021/jm900647e BindingDB Entry DOI: 10.7270/Q2CZ377V
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50299080 ((R)-5-(5-methylfuran-2-yl)-3-(4-(methylsulfinyl)ph...) Show SMILES Cc1ccc(o1)-c1ccc2occ(-c3ccc(cc3)[S@@](C)=O)c2c1 |r| Show InChI InChI=1S/C20H16O3S/c1-13-3-9-19(23-13)15-6-10-20-17(11-15)18(12-22-20)14-4-7-16(8-5-14)24(2)21/h3-12H,1-2H3/t24-/m1/s1	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	35	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK3-beta				J Med Chem 52: 6270-86 (2009) Article DOI: 10.1021/jm900647e BindingDB Entry DOI: 10.7270/Q2CZ377V
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50299082 ((R)-3-(4-(ethylsulfinyl)phenyl)-5-(5-methylfuran-2...) Show SMILES CC[S@@](=O)c1ccc(cc1)-c1coc2ccc(cc12)-c1ccc(C)o1 |r| Show InChI InChI=1S/C21H18O3S/c1-3-25(22)17-8-5-15(6-9-17)19-13-23-21-11-7-16(12-18(19)21)20-10-4-14(2)24-20/h4-13H,3H2,1-2H3/t25-/m1/s1	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	35	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK3-beta				J Med Chem 52: 6270-86 (2009) Article DOI: 10.1021/jm900647e BindingDB Entry DOI: 10.7270/Q2CZ377V
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50299084 (2-{3-[4-(Ethylsulfonyl)phenyl]-1-benzofuran-5-yl}-...) Show SMILES CCS(=O)(=O)c1ccc(cc1)-c1coc2ccc(cc12)-c1ccc(C)o1 Show InChI InChI=1S/C21H18O4S/c1-3-26(22,23)17-8-5-15(6-9-17)19-13-24-21-11-7-16(12-18(19)21)20-10-4-14(2)25-20/h4-13H,3H2,1-2H3	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	38	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK3-beta				J Med Chem 52: 6270-86 (2009) Article DOI: 10.1021/jm900647e BindingDB Entry DOI: 10.7270/Q2CZ377V
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50299085 (2-Methyl-5-{3-[4-(methylsulfonyl)phenyl]-1-benzofu...) Show SMILES Cc1ccc(o1)-c1ccc2occ(-c3ccc(cc3)S(C)(=O)=O)c2c1 Show InChI InChI=1S/C20H16O4S/c1-13-3-9-19(24-13)15-6-10-20-17(11-15)18(12-23-20)14-4-7-16(8-5-14)25(2,21)22/h3-12H,1-2H3	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	42	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK3-beta				J Med Chem 52: 6270-86 (2009) Article DOI: 10.1021/jm900647e BindingDB Entry DOI: 10.7270/Q2CZ377V
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM31560 (oxadiazole derivative, 20j) Show SMILES COc1ccc(CSc2nnc(o2)-c2ccc3OCCc3c2)cc1F Show InChI InChI=1S/C18H15FN2O3S/c1-22-16-4-2-11(8-14(16)19)10-25-18-21-20-17(24-18)13-3-5-15-12(9-13)6-7-23-15/h2-5,8-9H,6-7,10H2,1H3	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	44	n/a	n/a	n/a	n/a	7.5	37
Takeda Pharmaceutical Company Ltd.					Assay Description Human GSK-3beta was expressed as the N-terminal FLAG-tagged protein using a baculovirus expression system. The kinase assay was was conducted in a 96...				Bioorg Med Chem 17: 2017-29 (2009) Article DOI: 10.1016/j.bmc.2009.01.019 BindingDB Entry DOI: 10.7270/Q2DR2STZ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50299086 (4-[5-(5-Methyl-1,3,4-oxadiazol-2-yl)-1-benzofuran-...) Show SMILES Cc1ccc(o1)-c1ccc2occ(-c3ccc(cc3)C(O)=O)c2c1 Show InChI InChI=1S/C20H14O4/c1-12-2-8-18(24-12)15-7-9-19-16(10-15)17(11-23-19)13-3-5-14(6-4-13)20(21)22/h2-11H,1H3,(H,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	50	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK3-beta				J Med Chem 52: 6270-86 (2009) Article DOI: 10.1021/jm900647e BindingDB Entry DOI: 10.7270/Q2CZ377V
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50299087 (2-[3-(4-Methoxyphenyl)-1-benzofuran-5-yl]-5-methyl...) Show SMILES COc1ccc(cc1)-c1coc2ccc(cc12)-c1ccc(C)o1 Show InChI InChI=1S/C20H16O3/c1-13-3-9-19(23-13)15-6-10-20-17(11-15)18(12-22-20)14-4-7-16(21-2)8-5-14/h3-12H,1-2H3	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	54	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK3-beta				J Med Chem 52: 6270-86 (2009) Article DOI: 10.1021/jm900647e BindingDB Entry DOI: 10.7270/Q2CZ377V
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM31562 (oxadiazole derivative, 20b) Show SMILES Fc1cccc(CSc2nnc(o2)-c2ccc3OCCc3c2)c1 Show InChI InChI=1S/C17H13FN2O2S/c18-14-3-1-2-11(8-14)10-23-17-20-19-16(22-17)13-4-5-15-12(9-13)6-7-21-15/h1-5,8-9H,6-7,10H2	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	54	n/a	n/a	n/a	n/a	7.5	37
Takeda Pharmaceutical Company Ltd.					Assay Description Human GSK-3beta was expressed as the N-terminal FLAG-tagged protein using a baculovirus expression system. The kinase assay was was conducted in a 96...				Bioorg Med Chem 17: 2017-29 (2009) Article DOI: 10.1016/j.bmc.2009.01.019 BindingDB Entry DOI: 10.7270/Q2DR2STZ
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50443806 (CHEMBL3094403) Show SMILES CC[C@H](NC)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@@H]2Cc3cc(Cl)cc(Cl)c3N2C[C@H]1C(=O)N[C@@H]1CCOc2ccccc12 |r| Show InChI InChI=1S/C34H43Cl2N5O4/c1-3-26(37-2)32(42)39-30(20-9-5-4-6-10-20)34(44)41-18-23-16-21-15-22(35)17-25(36)31(21)40(23)19-28(41)33(43)38-27-13-14-45-29-12-8-7-11-24(27)29/h7-8,11-12,15,17,20,23,26-28,30,37H,3-6,9-10,13-14,16,18-19H2,1-2H3,(H,38,43)(H,39,42)/t23-,26-,27+,28-,30-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	62	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal His-tagged XIAP BIR3 domain (252 to 356) using AVPIAQ-K(biotin)-NH2 as substrate after overnight incubatio...				Bioorg Med Chem 21: 7938-54 (2013) Article DOI: 10.1016/j.bmc.2013.09.067 BindingDB Entry DOI: 10.7270/Q2833TGG
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM31559 (oxadiazole derivative, 1) Show SMILES COc1ccc(CSc2nnc(o2)-c2ccc3OCOc3c2)cc1F Show InChI InChI=1S/C17H13FN2O4S/c1-21-13-4-2-10(6-12(13)18)8-25-17-20-19-16(24-17)11-3-5-14-15(7-11)23-9-22-14/h2-7H,8-9H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	7.5	37
Takeda Pharmaceutical Company Ltd.					Assay Description Human GSK-3beta was expressed as the N-terminal FLAG-tagged protein using a baculovirus expression system. The kinase assay was was conducted in a 96...				Bioorg Med Chem 17: 2017-29 (2009) Article DOI: 10.1016/j.bmc.2009.01.019 BindingDB Entry DOI: 10.7270/Q2DR2STZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50299088 (2-Methyl-5-{3-[4-(methylsulfanyl)phenyl]-1-benzofu...) Show SMILES CSc1ccc(cc1)-c1coc2ccc(cc12)-c1ccc(C)o1 Show InChI InChI=1S/C20H16O2S/c1-13-3-9-19(22-13)15-6-10-20-17(11-15)18(12-21-20)14-4-7-16(23-2)8-5-14/h3-12H,1-2H3	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	66	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK3-beta				J Med Chem 52: 6270-86 (2009) Article DOI: 10.1021/jm900647e BindingDB Entry DOI: 10.7270/Q2CZ377V
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM31568 (oxadiazole derivative, 20i) Show SMILES FC(F)(F)c1cccc(CSc2nnc(o2)-c2ccc3OCCc3c2)c1 Show InChI InChI=1S/C18H13F3N2O2S/c19-18(20,21)14-3-1-2-11(8-14)10-26-17-23-22-16(25-17)13-4-5-15-12(9-13)6-7-24-15/h1-5,8-9H,6-7,10H2	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	68	n/a	n/a	n/a	n/a	7.5	37
Takeda Pharmaceutical Company Ltd.					Assay Description Human GSK-3beta was expressed as the N-terminal FLAG-tagged protein using a baculovirus expression system. The kinase assay was was conducted in a 96...				Bioorg Med Chem 17: 2017-29 (2009) Article DOI: 10.1016/j.bmc.2009.01.019 BindingDB Entry DOI: 10.7270/Q2DR2STZ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50299089 (4-[5-(5-Methyl-1,3,4-oxadiazol-2-yl)-1-benzofuran-...) Show SMILES Cc1ccc(o1)-c1ccc2occ(-c3ccc(cc3)C(N)=O)c2c1 Show InChI InChI=1S/C20H15NO3/c1-12-2-8-18(24-12)15-7-9-19-16(10-15)17(11-23-19)13-3-5-14(6-4-13)20(21)22/h2-11H,1H3,(H2,21,22)	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	69	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK3-beta				J Med Chem 52: 6270-86 (2009) Article DOI: 10.1021/jm900647e BindingDB Entry DOI: 10.7270/Q2CZ377V
					More data for this Ligand-Target Pair

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