Compile Data Set for Download or QSAR

Found 71 hits with Last Name = 'morales-garcia' and Initial = 'ja'   

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))	BDBM50382608 (CHEMBL2022415) Show SMILES OCC\N=c1/nc(-c2cccc3ccccc23)n(s1)-c1ccccc1 Show InChI InChI=1S/C20H17N3OS/c24-14-13-21-20-22-19(23(25-20)16-9-2-1-3-10-16)18-12-6-8-15-7-4-5-11-17(15)18/h1-12,24H,13-14H2/b21-20+	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	300	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica-CSIC Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK3beta after 30 mins by luminescence assay in presence of ATP				J Med Chem 55: 1645-61 (2012) Article DOI: 10.1021/jm201463v BindingDB Entry DOI: 10.7270/Q2862HGD
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50382604 (CHEMBL2022420 | CHEMBL2024373) Show SMILES CCCCC\N=c1/nc(-c2ccc(OC)cc2)n(s1)-c1ccccc1 Show InChI InChI=1S/C20H23N3OS/c1-3-4-8-15-21-20-22-19(16-11-13-18(24-2)14-12-16)23(25-20)17-9-6-5-7-10-17/h5-7,9-14H,3-4,8,15H2,1-2H3/b21-20+	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	300	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica-CSIC Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK3beta after 30 mins by luminescence assay in presence of ATP				J Med Chem 55: 1645-61 (2012) Article DOI: 10.1021/jm201463v BindingDB Entry DOI: 10.7270/Q2862HGD
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50382610 (CHEMBL2022413) Show SMILES OCC\N=c1/nc(-c2ccccc2)n(s1)-c1cccc2ccccc12 Show InChI InChI=1S/C20H17N3OS/c24-14-13-21-20-22-19(16-8-2-1-3-9-16)23(25-20)18-12-6-10-15-7-4-5-11-17(15)18/h1-12,24H,13-14H2/b21-20+	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	300	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica-CSIC Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK3beta after 30 mins by luminescence assay in presence of ATP				J Med Chem 55: 1645-61 (2012) Article DOI: 10.1021/jm201463v BindingDB Entry DOI: 10.7270/Q2862HGD
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50382615 (CHEMBL2024372) Show SMILES CCOC(=O)C\N=c1/nc(-c2ccc(OC)cc2)n(s1)-c1ccccc1 Show InChI InChI=1S/C19H19N3O3S/c1-3-25-17(23)13-20-19-21-18(14-9-11-16(24-2)12-10-14)22(26-19)15-7-5-4-6-8-15/h4-12H,3,13H2,1-2H3/b20-19+	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	500	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica-CSIC Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK3beta after 30 mins by luminescence assay in presence of ATP				J Med Chem 55: 1645-61 (2012) Article DOI: 10.1021/jm201463v BindingDB Entry DOI: 10.7270/Q2862HGD
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50382627 (CHEMBL2024362) Show SMILES N=c1nc(-c2ccccc2)n(s1)-c1ccccc1 Show InChI InChI=1S/C14H11N3S/c15-14-16-13(11-7-3-1-4-8-11)17(18-14)12-9-5-2-6-10-12/h1-10,15H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica-CSIC Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK3beta after 30 mins by luminescence assay in presence of ATP				J Med Chem 55: 1645-61 (2012) Article DOI: 10.1021/jm201463v BindingDB Entry DOI: 10.7270/Q2862HGD
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50382619 (CHEMBL2022416) Show SMILES Cc1n\c(=N/Cc2cccnc2)sn1-c1ccccc1 Show InChI InChI=1S/C15H14N4S/c1-12-18-15(17-11-13-6-5-9-16-10-13)20-19(12)14-7-3-2-4-8-14/h2-10H,11H2,1H3/b17-15+	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	600	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica-CSIC Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK3beta after 30 mins by luminescence assay in presence of ATP				J Med Chem 55: 1645-61 (2012) Article DOI: 10.1021/jm201463v BindingDB Entry DOI: 10.7270/Q2862HGD
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50382606 (CHEMBL2022418 | CHEMBL2024361) Show SMILES OCC\N=c1/nc(-c2ccccc2)n(s1)-c1ccccc1 Show InChI InChI=1S/C16H15N3OS/c20-12-11-17-16-18-15(13-7-3-1-4-8-13)19(21-16)14-9-5-2-6-10-14/h1-10,20H,11-12H2/b17-16+	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	600	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica-CSIC Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK3beta after 30 mins by luminescence assay in presence of ATP				J Med Chem 55: 1645-61 (2012) Article DOI: 10.1021/jm201463v BindingDB Entry DOI: 10.7270/Q2862HGD
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50382607 (CHEMBL2022417) Show SMILES CCCCCc1n\c(=N/Cc2cccnc2)sn1-c1ccccc1 Show InChI InChI=1S/C19H22N4S/c1-2-3-5-12-18-22-19(21-15-16-9-8-13-20-14-16)24-23(18)17-10-6-4-7-11-17/h4,6-11,13-14H,2-3,5,12,15H2,1H3/b21-19+	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	800	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica-CSIC Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK3beta after 30 mins by luminescence assay in presence of ATP				J Med Chem 55: 1645-61 (2012) Article DOI: 10.1021/jm201463v BindingDB Entry DOI: 10.7270/Q2862HGD
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50382603 (CHEMBL2022421) Show SMILES C(CN1CCOCC1)\N=c1/nc(-c2ccccc2)n(s1)-c1ccccc1 Show InChI InChI=1S/C20H22N4OS/c1-3-7-17(8-4-1)19-22-20(21-11-12-23-13-15-25-16-14-23)26-24(19)18-9-5-2-6-10-18/h1-10H,11-16H2/b21-20+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica-CSIC Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK3beta after 30 mins by luminescence assay in presence of ATP				J Med Chem 55: 1645-61 (2012) Article DOI: 10.1021/jm201463v BindingDB Entry DOI: 10.7270/Q2862HGD
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50382625 (CHEMBL558982) Show SMILES c1ccc(cc1)\N=c1\nc(-c2ccccc2)n(s1)-c1ccccc1 Show InChI InChI=1S/C20H15N3S/c1-4-10-16(11-5-1)19-22-20(21-17-12-6-2-7-13-17)24-23(19)18-14-8-3-9-15-18/h1-15H/b21-20-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica-CSIC Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK3beta after 30 mins by luminescence assay in presence of ATP				J Med Chem 55: 1645-61 (2012) Article DOI: 10.1021/jm201463v BindingDB Entry DOI: 10.7270/Q2862HGD
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50382605 (CHEMBL2022414 | CHEMBL2022419) Show SMILES C(\N=c1/nc(-c2cccc3ccccc23)n(s1)-c1ccccc1)c1cccnc1 Show InChI InChI=1S/C24H18N4S/c1-2-11-20(12-3-1)28-23(22-14-6-10-19-9-4-5-13-21(19)22)27-24(29-28)26-17-18-8-7-15-25-16-18/h1-16H,17H2/b26-24+	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	900	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica-CSIC Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK3beta after 30 mins by luminescence assay in presence of ATP				J Med Chem 55: 1645-61 (2012) Article DOI: 10.1021/jm201463v BindingDB Entry DOI: 10.7270/Q2862HGD
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50382620 (CHEMBL2024368) Show SMILES CCOC(=O)C\N=c1/nc(-c2ccccc2)n(s1)-c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C18H16N4O4S/c1-2-26-16(23)12-19-18-20-17(13-6-4-3-5-7-13)21(27-18)14-8-10-15(11-9-14)22(24)25/h3-11H,2,12H2,1H3/b19-18+	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	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica-CSIC Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK3beta after 30 mins by luminescence assay in presence of ATP				J Med Chem 55: 1645-61 (2012) Article DOI: 10.1021/jm201463v BindingDB Entry DOI: 10.7270/Q2862HGD
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50382621 (CHEMBL2024367) Show SMILES [O-][N+](=O)c1ccc(cc1)-n1s\c(=N\Cc2cccnc2)nc1-c1ccccc1 Show InChI InChI=1S/C20H15N5O2S/c26-25(27)18-10-8-17(9-11-18)24-19(16-6-2-1-3-7-16)23-20(28-24)22-14-15-5-4-12-21-13-15/h1-13H,14H2/b22-20+	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	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica-CSIC Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK3beta after 30 mins by luminescence assay in presence of ATP				J Med Chem 55: 1645-61 (2012) Article DOI: 10.1021/jm201463v BindingDB Entry DOI: 10.7270/Q2862HGD
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50382613 (CHEMBL2024374) Show SMILES COc1ccc(cc1)-c1n\c(=N/c2ccccc2)sn1-c1ccccc1 Show InChI InChI=1S/C21H17N3OS/c1-25-19-14-12-16(13-15-19)20-23-21(22-17-8-4-2-5-9-17)26-24(20)18-10-6-3-7-11-18/h2-15H,1H3/b22-21+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica-CSIC Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK3beta after 30 mins by luminescence assay in presence of ATP				J Med Chem 55: 1645-61 (2012) Article DOI: 10.1021/jm201463v BindingDB Entry DOI: 10.7270/Q2862HGD
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50382604 (CHEMBL2022420 | CHEMBL2024373) Show SMILES CCCCC\N=c1/nc(-c2ccc(OC)cc2)n(s1)-c1ccccc1 Show InChI InChI=1S/C20H23N3OS/c1-3-4-8-15-21-20-22-19(16-11-13-18(24-2)14-12-16)23(25-20)17-9-6-5-7-10-17/h5-7,9-14H,3-4,8,15H2,1-2H3/b21-20+	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	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica-CSIC Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK3beta after 30 mins by luminescence assay in presence of ATP				J Med Chem 55: 1645-61 (2012) Article DOI: 10.1021/jm201463v BindingDB Entry DOI: 10.7270/Q2862HGD
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50382600 (CHEMBL2022423) Show SMILES C(\N=c1/nc(-c2ccccc2)n(Cc2ccccc2)s1)c1cccnc1 Show InChI InChI=1S/C21H18N4S/c1-3-8-17(9-4-1)16-25-20(19-11-5-2-6-12-19)24-21(26-25)23-15-18-10-7-13-22-14-18/h1-14H,15-16H2/b23-21+	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	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica-CSIC Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK3beta after 30 mins by luminescence assay in presence of ATP				J Med Chem 55: 1645-61 (2012) Article DOI: 10.1021/jm201463v BindingDB Entry DOI: 10.7270/Q2862HGD
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50382616 (CHEMBL2024371) Show SMILES COc1ccc(cc1)-c1n\c(=N/CCO)sn1-c1ccccc1 Show InChI InChI=1S/C17H17N3O2S/c1-22-15-9-7-13(8-10-15)16-19-17(18-11-12-21)23-20(16)14-5-3-2-4-6-14/h2-10,21H,11-12H2,1H3/b18-17+	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	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica-CSIC Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK3beta after 30 mins by luminescence assay in presence of ATP				J Med Chem 55: 1645-61 (2012) Article DOI: 10.1021/jm201463v BindingDB Entry DOI: 10.7270/Q2862HGD
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50382617 (CHEMBL2024370) Show SMILES COc1ccc(cc1)-c1n\c(=N/Cc2cccnc2)sn1-c1ccccc1 Show InChI InChI=1S/C21H18N4OS/c1-26-19-11-9-17(10-12-19)20-24-21(23-15-16-6-5-13-22-14-16)27-25(20)18-7-3-2-4-8-18/h2-14H,15H2,1H3/b23-21+	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	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica-CSIC Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK3beta after 30 mins by luminescence assay in presence of ATP				J Med Chem 55: 1645-61 (2012) Article DOI: 10.1021/jm201463v BindingDB Entry DOI: 10.7270/Q2862HGD
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50382630 (CHEMBL2024359) Show SMILES C(\N=c1/nc(-c2ccccc2)n(s1)-c1ccccc1)c1cccnc1 Show InChI InChI=1S/C20H16N4S/c1-3-9-17(10-4-1)19-23-20(22-15-16-8-7-13-21-14-16)25-24(19)18-11-5-2-6-12-18/h1-14H,15H2/b22-20+	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	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica-CSIC Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK3beta after 30 mins by luminescence assay in presence of ATP				J Med Chem 55: 1645-61 (2012) Article DOI: 10.1021/jm201463v BindingDB Entry DOI: 10.7270/Q2862HGD
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50382626 (CHEMBL2024363) Show SMILES CCCCC\N=c1/nc(-c2ccccc2)n(s1)-c1ccccc1 Show InChI InChI=1S/C19H21N3S/c1-2-3-10-15-20-19-21-18(16-11-6-4-7-12-16)22(23-19)17-13-8-5-9-14-17/h4-9,11-14H,2-3,10,15H2,1H3/b20-19+	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	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica-CSIC Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK3beta after 30 mins by luminescence assay in presence of ATP				J Med Chem 55: 1645-61 (2012) Article DOI: 10.1021/jm201463v BindingDB Entry DOI: 10.7270/Q2862HGD
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50382612 (CHEMBL2024375) Show SMILES FC(F)(F)c1ccc(cc1)-c1n\c(=N/Cc2cccnc2)sn1-c1ccccc1 Show InChI InChI=1S/C21H15F3N4S/c22-21(23,24)17-10-8-16(9-11-17)19-27-20(26-14-15-5-4-12-25-13-15)29-28(19)18-6-2-1-3-7-18/h1-13H,14H2/b26-20+	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	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica-CSIC Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK3beta after 30 mins by luminescence assay in presence of ATP				J Med Chem 55: 1645-61 (2012) Article DOI: 10.1021/jm201463v BindingDB Entry DOI: 10.7270/Q2862HGD
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50382601 (CHEMBL2022422 | CHEMBL2024360) Show SMILES CCOC(=O)C\N=c1/nc(-c2ccccc2)n(s1)-c1ccccc1 Show InChI InChI=1S/C18H17N3O2S/c1-2-23-16(22)13-19-18-20-17(14-9-5-3-6-10-14)21(24-18)15-11-7-4-8-12-15/h3-12H,2,13H2,1H3/b19-18+	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	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica-CSIC Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK3beta after 30 mins by luminescence assay in presence of ATP				J Med Chem 55: 1645-61 (2012) Article DOI: 10.1021/jm201463v BindingDB Entry DOI: 10.7270/Q2862HGD
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50382611 (CHEMBL2022412) Show SMILES C(\N=c1/nc(-c2ccccc2)n(s1)-c1cccc2ccccc12)c1cccnc1 Show InChI InChI=1S/C24H18N4S/c1-2-10-20(11-3-1)23-27-24(26-17-18-8-7-15-25-16-18)29-28(23)22-14-6-12-19-9-4-5-13-21(19)22/h1-16H,17H2/b26-24+	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	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica-CSIC Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK3beta after 30 mins by luminescence assay in presence of ATP				J Med Chem 55: 1645-61 (2012) Article DOI: 10.1021/jm201463v BindingDB Entry DOI: 10.7270/Q2862HGD
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50382622 (CHEMBL2024366) Show SMILES CCOC(=O)C\N=c1/nc(-c2ccccc2)n(s1)-c1ccc(OC)cc1 Show InChI InChI=1S/C19H19N3O3S/c1-3-25-17(23)13-20-19-21-18(14-7-5-4-6-8-14)22(26-19)15-9-11-16(24-2)12-10-15/h4-12H,3,13H2,1-2H3/b20-19+	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	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica-CSIC Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK3beta after 30 mins by luminescence assay in presence of ATP				J Med Chem 55: 1645-61 (2012) Article DOI: 10.1021/jm201463v BindingDB Entry DOI: 10.7270/Q2862HGD
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50382606 (CHEMBL2022418 | CHEMBL2024361) Show SMILES OCC\N=c1/nc(-c2ccccc2)n(s1)-c1ccccc1 Show InChI InChI=1S/C16H15N3OS/c20-12-11-17-16-18-15(13-7-3-1-4-8-13)19(21-16)14-9-5-2-6-10-14/h1-10,20H,11-12H2/b17-16+	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	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica-CSIC Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK3beta after 30 mins by luminescence assay in presence of ATP				J Med Chem 55: 1645-61 (2012) Article DOI: 10.1021/jm201463v BindingDB Entry DOI: 10.7270/Q2862HGD
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM294083 (6-Bromo-N′-dodecanoyl-1-ethyl-4-hydroxy-2-ox...) Show SMILES CCCCCCCCCCCC(=O)NNC(=O)c1c(O)c2cc(Br)ccc2n(CC)c1=O Show InChI InChI=1S/C24H34BrN3O4/c1-3-5-6-7-8-9-10-11-12-13-20(29)26-27-23(31)21-22(30)18-16-17(25)14-15-19(18)28(4-2)24(21)32/h14-16,30H,3-13H2,1-2H3,(H,26,29)(H,27,31)	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	2.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
Centro de Investigaciones Biol�gicas-CSIC , Ramiro de Maeztu 9, 28040 Madrid, Spain. Curated by ChEMBL					Assay Description Allosteric inhibition of human recombinant full length N-terminal GST-tagged GSK3beta expressed in fall armyworm Sf9 cells after 30 min in presence o...				J Med Chem 60: 4983-5001 (2017) Article DOI: 10.1021/acs.jmedchem.7b00395 BindingDB Entry DOI: 10.7270/Q2NC63B9
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50382624 (CHEMBL2024364) Show SMILES C1CCC(CC1)\N=c1/nc(-c2ccccc2)n(s1)-c1ccccc1 Show InChI InChI=1S/C20H21N3S/c1-4-10-16(11-5-1)19-22-20(21-17-12-6-2-7-13-17)24-23(19)18-14-8-3-9-15-18/h1,3-5,8-11,14-15,17H,2,6-7,12-13H2/b21-20+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica-CSIC Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK3beta after 30 mins by luminescence assay in presence of ATP				J Med Chem 55: 1645-61 (2012) Article DOI: 10.1021/jm201463v BindingDB Entry DOI: 10.7270/Q2862HGD
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50382605 (CHEMBL2022414 | CHEMBL2022419) Show SMILES C(\N=c1/nc(-c2cccc3ccccc23)n(s1)-c1ccccc1)c1cccnc1 Show InChI InChI=1S/C24H18N4S/c1-2-11-20(12-3-1)28-23(22-14-6-10-19-9-4-5-13-21(19)22)27-24(29-28)26-17-18-8-7-15-25-16-18/h1-16H,17H2/b26-24+	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	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica-CSIC Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK3beta after 30 mins by luminescence assay in presence of ATP				J Med Chem 55: 1645-61 (2012) Article DOI: 10.1021/jm201463v BindingDB Entry DOI: 10.7270/Q2862HGD
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM294091 (7-Chloro-N′-dodecanoyl-1-ethyl-4-hydroxy-2-o...) Show SMILES CCCCCCCCCCCC(=O)NNC(=O)c1c(O)c2ccc(Cl)cc2n(CC)c1=O Show InChI InChI=1S/C24H34ClN3O4/c1-3-5-6-7-8-9-10-11-12-13-20(29)26-27-23(31)21-22(30)18-15-14-17(25)16-19(18)28(4-2)24(21)32/h14-16,30H,3-13H2,1-2H3,(H,26,29)(H,27,31)	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	2.48E+3	n/a	n/a	n/a	n/a	n/a	n/a
Centro de Investigaciones Biol�gicas-CSIC , Ramiro de Maeztu 9, 28040 Madrid, Spain. Curated by ChEMBL					Assay Description Allosteric inhibition of human recombinant full length N-terminal GST-tagged GSK3beta expressed in fall armyworm Sf9 cells after 30 min in presence o...				J Med Chem 60: 4983-5001 (2017) Article DOI: 10.1021/acs.jmedchem.7b00395 BindingDB Entry DOI: 10.7270/Q2NC63B9
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50384798 (CHEMBL2037482 | US9585879, 6 | US9757369, 6) Show SMILES CCCCCCCCCCCC(=O)NNC(=O)c1c(O)c2ccccc2n(CC)c1=O Show InChI InChI=1S/C24H35N3O4/c1-3-5-6-7-8-9-10-11-12-17-20(28)25-26-23(30)21-22(29)18-15-13-14-16-19(18)27(4-2)24(21)31/h13-16,29H,3-12,17H2,1-2H3,(H,25,28)(H,26,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Centro de Investigaciones Biol�gicas-CSIC , Ramiro de Maeztu 9, 28040 Madrid, Spain. Curated by ChEMBL					Assay Description Allosteric inhibition of human recombinant full length N-terminal GST-tagged GSK3beta expressed in fall armyworm Sf9 cells after 30 min in presence o...				J Med Chem 60: 4983-5001 (2017) Article DOI: 10.1021/acs.jmedchem.7b00395 BindingDB Entry DOI: 10.7270/Q2NC63B9
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50382602 (CHEMBL1709775) Show SMILES c1ccc(cc1)\N=c1/nc(-c2ccccc2)n(s1)-c1ccccc1 Show InChI InChI=1S/C20H15N3S/c1-4-10-16(11-5-1)19-22-20(21-17-12-6-2-7-13-17)24-23(19)18-14-8-3-9-15-18/h1-15H/b21-20+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica-CSIC Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK3beta after 30 mins by luminescence assay in presence of ATP				J Med Chem 55: 1645-61 (2012) Article DOI: 10.1021/jm201463v BindingDB Entry DOI: 10.7270/Q2862HGD
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM339879 (7-Chloro-N′-dodecanoyl-4-hydroxy-2-oxo-2-hyd...) Show SMILES CCCCCCCCCCCC(=O)NNC(=O)c1c(O)c2ccc(Cl)cc2[nH]c1=O Show InChI InChI=1S/C22H30ClN3O4/c1-2-3-4-5-6-7-8-9-10-11-18(27)25-26-22(30)19-20(28)16-13-12-15(23)14-17(16)24-21(19)29/h12-14H,2-11H2,1H3,(H,25,27)(H,26,30)(H2,24,28,29)	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	3.12E+3	n/a	n/a	n/a	n/a	n/a	n/a
Centro de Investigaciones Biol�gicas-CSIC , Ramiro de Maeztu 9, 28040 Madrid, Spain. Curated by ChEMBL					Assay Description Allosteric inhibition of human recombinant full length N-terminal GST-tagged GSK3beta expressed in fall armyworm Sf9 cells after 30 min in presence o...				J Med Chem 60: 4983-5001 (2017) Article DOI: 10.1021/acs.jmedchem.7b00395 BindingDB Entry DOI: 10.7270/Q2NC63B9
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM294087 (6-Chloro-N′-dodecanoyl-1-ethyl-4-hydroxy-2-o...) Show SMILES CCCCCCCCCCCC(=O)NNC(=O)c1c(O)c2cc(Cl)ccc2n(CC)c1=O Show InChI InChI=1S/C24H34ClN3O4/c1-3-5-6-7-8-9-10-11-12-13-20(29)26-27-23(31)21-22(30)18-16-17(25)14-15-19(18)28(4-2)24(21)32/h14-16,30H,3-13H2,1-2H3,(H,26,29)(H,27,31)	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	3.18E+3	n/a	n/a	n/a	n/a	n/a	n/a
Centro de Investigaciones Biol�gicas-CSIC , Ramiro de Maeztu 9, 28040 Madrid, Spain. Curated by ChEMBL					Assay Description Allosteric inhibition of human recombinant full length N-terminal GST-tagged GSK3beta expressed in fall armyworm Sf9 cells after 30 min in presence o...				J Med Chem 60: 4983-5001 (2017) Article DOI: 10.1021/acs.jmedchem.7b00395 BindingDB Entry DOI: 10.7270/Q2NC63B9
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM339885 (6-Bromo-N′-dodecanoyl-4-hydroxy-2-oxo-2-hydr...) Show SMILES CCCCCCCCCCCC(=O)NNC(=O)c1c(O)c2cc(Br)ccc2[nH]c1=O Show InChI InChI=1S/C22H30BrN3O4/c1-2-3-4-5-6-7-8-9-10-11-18(27)25-26-22(30)19-20(28)16-14-15(23)12-13-17(16)24-21(19)29/h12-14H,2-11H2,1H3,(H,25,27)(H,26,30)(H2,24,28,29)	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	3.54E+3	n/a	n/a	n/a	n/a	n/a	n/a
Centro de Investigaciones Biol�gicas-CSIC , Ramiro de Maeztu 9, 28040 Madrid, Spain. Curated by ChEMBL					Assay Description Allosteric inhibition of human recombinant full length N-terminal GST-tagged GSK3beta expressed in fall armyworm Sf9 cells after 30 min in presence o...				J Med Chem 60: 4983-5001 (2017) Article DOI: 10.1021/acs.jmedchem.7b00395 BindingDB Entry DOI: 10.7270/Q2NC63B9
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM339886 (6-Chloro-N′-dodecanoyl-4-hydroxy-2-oxo-2-hyd...) Show SMILES CCCCCCCCCCCC(=O)NNC(=O)c1c(O)c2cc(Cl)ccc2[nH]c1=O Show InChI InChI=1S/C22H30ClN3O4/c1-2-3-4-5-6-7-8-9-10-11-18(27)25-26-22(30)19-20(28)16-14-15(23)12-13-17(16)24-21(19)29/h12-14H,2-11H2,1H3,(H,25,27)(H,26,30)(H2,24,28,29)	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	3.81E+3	n/a	n/a	n/a	n/a	n/a	n/a
Centro de Investigaciones Biol�gicas-CSIC , Ramiro de Maeztu 9, 28040 Madrid, Spain. Curated by ChEMBL					Assay Description Allosteric inhibition of human recombinant full length N-terminal GST-tagged GSK3beta expressed in fall armyworm Sf9 cells after 30 min in presence o...				J Med Chem 60: 4983-5001 (2017) Article DOI: 10.1021/acs.jmedchem.7b00395 BindingDB Entry DOI: 10.7270/Q2NC63B9
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM294089 (7-Chloro-N′-dodecanoyl-4-hydroxy-1-methyl-2-...) Show SMILES CCCCCCCCCCCC(=O)NNC(=O)c1c(O)c2ccc(Cl)cc2n(C)c1=O Show InChI InChI=1S/C23H32ClN3O4/c1-3-4-5-6-7-8-9-10-11-12-19(28)25-26-22(30)20-21(29)17-14-13-16(24)15-18(17)27(2)23(20)31/h13-15,29H,3-12H2,1-2H3,(H,25,28)(H,26,30)	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	4.03E+3	n/a	n/a	n/a	n/a	n/a	n/a
Centro de Investigaciones Biol�gicas-CSIC , Ramiro de Maeztu 9, 28040 Madrid, Spain. Curated by ChEMBL					Assay Description Allosteric inhibition of human recombinant full length N-terminal GST-tagged GSK3beta expressed in fall armyworm Sf9 cells after 30 min in presence o...				J Med Chem 60: 4983-5001 (2017) Article DOI: 10.1021/acs.jmedchem.7b00395 BindingDB Entry DOI: 10.7270/Q2NC63B9
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50382623 (CHEMBL2024365) Show SMILES COc1ccc(cc1)-n1s\c(=N\Cc2cccnc2)nc1-c1ccccc1 Show InChI InChI=1S/C21H18N4OS/c1-26-19-11-9-18(10-12-19)25-20(17-7-3-2-4-8-17)24-21(27-25)23-15-16-6-5-13-22-14-16/h2-14H,15H2,1H3/b23-21+	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	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica-CSIC Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK3beta after 30 mins by luminescence assay in presence of ATP				J Med Chem 55: 1645-61 (2012) Article DOI: 10.1021/jm201463v BindingDB Entry DOI: 10.7270/Q2862HGD
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM294081 (6-Bromo-N′-dodecanoyl-4-hydroxy-1-methyl-2-o...) Show SMILES CCCCCCCCCCCC(=O)NNC(=O)c1c(O)c2cc(Br)ccc2n(C)c1=O Show InChI InChI=1S/C23H32BrN3O4/c1-3-4-5-6-7-8-9-10-11-12-19(28)25-26-22(30)20-21(29)17-15-16(24)13-14-18(17)27(2)23(20)31/h13-15,29H,3-12H2,1-2H3,(H,25,28)(H,26,30)	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	4.28E+3	n/a	n/a	n/a	n/a	n/a	n/a
Centro de Investigaciones Biol�gicas-CSIC , Ramiro de Maeztu 9, 28040 Madrid, Spain. Curated by ChEMBL					Assay Description Displacement of [125 I] CCK-8 from Cholecystokinin type B receptor of guinea pig cerebral cortex				J Med Chem 60: 4983-5001 (2017) Article DOI: 10.1021/acs.jmedchem.7b00395 BindingDB Entry DOI: 10.7270/Q2NC63B9
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50239770 (CHEMBL4082305) Show SMILES CCCCCCCCCCCC(=O)NNC(=O)c1c(O)c2ccccc2[nH]c1=O Show InChI InChI=1S/C22H31N3O4/c1-2-3-4-5-6-7-8-9-10-15-18(26)24-25-22(29)19-20(27)16-13-11-12-14-17(16)23-21(19)28/h11-14H,2-10,15H2,1H3,(H,24,26)(H,25,29)(H2,23,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Centro de Investigaciones Biol�gicas-CSIC , Ramiro de Maeztu 9, 28040 Madrid, Spain. Curated by ChEMBL					Assay Description Allosteric inhibition of human recombinant full length N-terminal GST-tagged GSK3beta expressed in fall armyworm Sf9 cells after 30 min in presence o...				J Med Chem 60: 4983-5001 (2017) Article DOI: 10.1021/acs.jmedchem.7b00395 BindingDB Entry DOI: 10.7270/Q2NC63B9
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50382618 (CHEMBL2024369) Show SMILES COc1ccc(cc1)-n1s\c(=N\CCO)nc1-c1ccccc1 Show InChI InChI=1S/C17H17N3O2S/c1-22-15-9-7-14(8-10-15)20-16(13-5-3-2-4-6-13)19-17(23-20)18-11-12-21/h2-10,21H,11-12H2,1H3/b18-17+	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	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica-CSIC Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK3beta after 30 mins by luminescence assay in presence of ATP				J Med Chem 55: 1645-61 (2012) Article DOI: 10.1021/jm201463v BindingDB Entry DOI: 10.7270/Q2862HGD
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM294090 (7-Chloro-1-ethyl-4-hydroxy-N′-octanoyl-2-oxo...) Show SMILES CCCCCCCC(=O)NNC(=O)c1c(O)c2ccc(Cl)cc2n(CC)c1=O Show InChI InChI=1S/C20H26ClN3O4/c1-3-5-6-7-8-9-16(25)22-23-19(27)17-18(26)14-11-10-13(21)12-15(14)24(4-2)20(17)28/h10-12,26H,3-9H2,1-2H3,(H,22,25)(H,23,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.83E+3	n/a	n/a	n/a	n/a	n/a	n/a
Centro de Investigaciones Biol�gicas-CSIC , Ramiro de Maeztu 9, 28040 Madrid, Spain. Curated by ChEMBL					Assay Description Allosteric inhibition of human recombinant full length N-terminal GST-tagged GSK3beta expressed in fall armyworm Sf9 cells after 30 min in presence o...				J Med Chem 60: 4983-5001 (2017) Article DOI: 10.1021/acs.jmedchem.7b00395 BindingDB Entry DOI: 10.7270/Q2NC63B9
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM294076 (1-(cyclopropylmethyl)-N′-dodecanoyl-4-hydrox...) Show SMILES CCCCCCCCCCCC(=O)NNC(=O)c1c(O)c2ccccc2n(CC2CC2)c1=O Show InChI InChI=1S/C26H37N3O4/c1-2-3-4-5-6-7-8-9-10-15-22(30)27-28-25(32)23-24(31)20-13-11-12-14-21(20)29(26(23)33)18-19-16-17-19/h11-14,19,31H,2-10,15-18H2,1H3,(H,27,30)(H,28,32)	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	5.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
Centro de Investigaciones Biol�gicas-CSIC , Ramiro de Maeztu 9, 28040 Madrid, Spain. Curated by ChEMBL					Assay Description Allosteric inhibition of human recombinant full length N-terminal GST-tagged GSK3beta expressed in fall armyworm Sf9 cells after 30 min in presence o...				J Med Chem 60: 4983-5001 (2017) Article DOI: 10.1021/acs.jmedchem.7b00395 BindingDB Entry DOI: 10.7270/Q2NC63B9
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM294077 (1-Benzyl-N′-dodecanoyl-4-hydroxy-2-oxo-1,2-d...) Show SMILES CCCCCCCCCCCC(=O)NNC(=O)c1c(O)c2ccccc2n(Cc2ccccc2)c1=O Show InChI InChI=1S/C29H37N3O4/c1-2-3-4-5-6-7-8-9-13-20-25(33)30-31-28(35)26-27(34)23-18-14-15-19-24(23)32(29(26)36)21-22-16-11-10-12-17-22/h10-12,14-19,34H,2-9,13,20-21H2,1H3,(H,30,33)(H,31,35)	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	5.51E+3	n/a	n/a	n/a	n/a	n/a	n/a
Centro de Investigaciones Biol�gicas-CSIC , Ramiro de Maeztu 9, 28040 Madrid, Spain. Curated by ChEMBL					Assay Description Allosteric inhibition of human recombinant full length N-terminal GST-tagged GSK3beta expressed in fall armyworm Sf9 cells after 30 min in presence o...				J Med Chem 60: 4983-5001 (2017) Article DOI: 10.1021/acs.jmedchem.7b00395 BindingDB Entry DOI: 10.7270/Q2NC63B9
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM339880 (6-Fluoro-N′-dodecanoyl-4-hydroxy-2-oxo-2-hyd...) Show SMILES CCCCCCCCCCCC(=O)NNC(=O)c1c(O)c2cc(F)ccc2[nH]c1=O Show InChI InChI=1S/C22H30FN3O4/c1-2-3-4-5-6-7-8-9-10-11-18(27)25-26-22(30)19-20(28)16-14-15(23)12-13-17(16)24-21(19)29/h12-14H,2-11H2,1H3,(H,25,27)(H,26,30)(H2,24,28,29)	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	5.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Centro de Investigaciones Biol�gicas-CSIC , Ramiro de Maeztu 9, 28040 Madrid, Spain. Curated by ChEMBL					Assay Description Allosteric inhibition of human recombinant full length N-terminal GST-tagged GSK3beta expressed in fall armyworm Sf9 cells after 30 min in presence o...				J Med Chem 60: 4983-5001 (2017) Article DOI: 10.1021/acs.jmedchem.7b00395 BindingDB Entry DOI: 10.7270/Q2NC63B9
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM294085 (6-Chloro-N′-dodecanoyl-4-hydroxy-1-methyl-2-...) Show SMILES CCCCCCCCCCCC(=O)NNC(=O)c1c(O)c2cc(Cl)ccc2n(C)c1=O Show InChI InChI=1S/C23H32ClN3O4/c1-3-4-5-6-7-8-9-10-11-12-19(28)25-26-22(30)20-21(29)17-15-16(24)13-14-18(17)27(2)23(20)31/h13-15,29H,3-12H2,1-2H3,(H,25,28)(H,26,30)	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	5.95E+3	n/a	n/a	n/a	n/a	n/a	n/a
Centro de Investigaciones Biol�gicas-CSIC , Ramiro de Maeztu 9, 28040 Madrid, Spain. Curated by ChEMBL					Assay Description Allosteric inhibition of human recombinant full length N-terminal GST-tagged GSK3beta expressed in fall armyworm Sf9 cells after 30 min in presence o...				J Med Chem 60: 4983-5001 (2017) Article DOI: 10.1021/acs.jmedchem.7b00395 BindingDB Entry DOI: 10.7270/Q2NC63B9
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM294092 (1-Benzyl-7-chloro-4-hydroxy-N′-octanoyl-2-ox...) Show SMILES CCCCCCCC(=O)NNC(=O)c1c(O)c2ccc(Cl)cc2n(Cc2ccccc2)c1=O Show InChI InChI=1S/C25H28ClN3O4/c1-2-3-4-5-9-12-21(30)27-28-24(32)22-23(31)19-14-13-18(26)15-20(19)29(25(22)33)16-17-10-7-6-8-11-17/h6-8,10-11,13-15,31H,2-5,9,12,16H2,1H3,(H,27,30)(H,28,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.96E+3	n/a	n/a	n/a	n/a	n/a	n/a
Centro de Investigaciones Biol�gicas-CSIC , Ramiro de Maeztu 9, 28040 Madrid, Spain. Curated by ChEMBL					Assay Description Allosteric inhibition of human recombinant full length N-terminal GST-tagged GSK3beta expressed in fall armyworm Sf9 cells after 30 min in presence o...				J Med Chem 60: 4983-5001 (2017) Article DOI: 10.1021/acs.jmedchem.7b00395 BindingDB Entry DOI: 10.7270/Q2NC63B9
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM294093 (1-Benzyl-7-chloro-N′dodecanoyl-4-hydroxy-2-o...) Show SMILES CCCCCCCCCCCC(=O)NNC(=O)c1c(O)c2ccc(Cl)cc2n(Cc2ccccc2)c1=O Show InChI InChI=1S/C29H36ClN3O4/c1-2-3-4-5-6-7-8-9-13-16-25(34)31-32-28(36)26-27(35)23-18-17-22(30)19-24(23)33(29(26)37)20-21-14-11-10-12-15-21/h10-12,14-15,17-19,35H,2-9,13,16,20H2,1H3,(H,31,34)(H,32,36)	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	5.99E+3	n/a	n/a	n/a	n/a	n/a	n/a
Centro de Investigaciones Biol�gicas-CSIC , Ramiro de Maeztu 9, 28040 Madrid, Spain. Curated by ChEMBL					Assay Description Allosteric inhibition of human recombinant full length N-terminal GST-tagged GSK3beta expressed in fall armyworm Sf9 cells after 30 min in presence o...				J Med Chem 60: 4983-5001 (2017) Article DOI: 10.1021/acs.jmedchem.7b00395 BindingDB Entry DOI: 10.7270/Q2NC63B9
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM294080 (6-Bromo-4-hydroxy-1-methyl-N′-octanoyl-2-oxo...) Show SMILES CCCCCCCC(=O)NNC(=O)c1c(O)c2cc(Br)ccc2n(C)c1=O Show InChI InChI=1S/C19H24BrN3O4/c1-3-4-5-6-7-8-15(24)21-22-18(26)16-17(25)13-11-12(20)9-10-14(13)23(2)19(16)27/h9-11,25H,3-8H2,1-2H3,(H,21,24)(H,22,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.28E+3	n/a	n/a	n/a	n/a	n/a	n/a
Centro de Investigaciones Biol�gicas-CSIC , Ramiro de Maeztu 9, 28040 Madrid, Spain. Curated by ChEMBL					Assay Description Allosteric inhibition of human recombinant full length N-terminal GST-tagged GSK3beta expressed in fall armyworm Sf9 cells after 30 min in presence o...				J Med Chem 60: 4983-5001 (2017) Article DOI: 10.1021/acs.jmedchem.7b00395 BindingDB Entry DOI: 10.7270/Q2NC63B9
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM294088 (7-Chloro-4-hydroxy-1-methyl-N′-octanoyl-2-ox...) Show SMILES CCCCCCCC(=O)NNC(=O)c1c(O)c2ccc(Cl)cc2n(C)c1=O Show InChI InChI=1S/C19H24ClN3O4/c1-3-4-5-6-7-8-15(24)21-22-18(26)16-17(25)13-10-9-12(20)11-14(13)23(2)19(16)27/h9-11,25H,3-8H2,1-2H3,(H,21,24)(H,22,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.66E+3	n/a	n/a	n/a	n/a	n/a	n/a
Centro de Investigaciones Biol�gicas-CSIC , Ramiro de Maeztu 9, 28040 Madrid, Spain. Curated by ChEMBL					Assay Description Allosteric inhibition of human recombinant full length N-terminal GST-tagged GSK3beta expressed in fall armyworm Sf9 cells after 30 min in presence o...				J Med Chem 60: 4983-5001 (2017) Article DOI: 10.1021/acs.jmedchem.7b00395 BindingDB Entry DOI: 10.7270/Q2NC63B9
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50382601 (CHEMBL2022422 | CHEMBL2024360) Show SMILES CCOC(=O)C\N=c1/nc(-c2ccccc2)n(s1)-c1ccccc1 Show InChI InChI=1S/C18H17N3O2S/c1-2-23-16(22)13-19-18-20-17(14-9-5-3-6-10-14)21(24-18)15-11-7-4-8-12-15/h3-12H,2,13H2,1H3/b19-18+	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	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica-CSIC Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK3beta after 30 mins by luminescence assay in presence of ATP				J Med Chem 55: 1645-61 (2012) Article DOI: 10.1021/jm201463v BindingDB Entry DOI: 10.7270/Q2862HGD
					More data for this Ligand-Target Pair

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