Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Glycogen synthase kinase-3 beta' and Ligand = 'BDBM8552'   

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))	BDBM8552 (2-{[(3-iodophenyl)methyl]sulfanyl}-5-(pyridin-4-yl...) Show SMILES Ic1cccc(CSc2nnc(o2)-c2ccncc2)c1 Show InChI InChI=1S/C14H10IN3OS/c15-12-3-1-2-10(8-12)9-20-14-18-17-13(19-14)11-4-6-16-7-5-11/h1-8H,9H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	390	n/a	n/a	n/a	n/a	7.0	22
Novo Nordisk A/S					Assay Description In vitro kinase assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of 100 uM ATP/ [gam...				Bioorg Med Chem Lett 12: 1525-8 (2002) Article DOI: 10.1016/s0960-894x(02)00169-5 BindingDB Entry DOI: 10.7270/Q2251GDH
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM8552 (2-{[(3-iodophenyl)methyl]sulfanyl}-5-(pyridin-4-yl...) Show SMILES Ic1cccc(CSc2nnc(o2)-c2ccncc2)c1 Show InChI InChI=1S/C14H10IN3OS/c15-12-3-1-2-10(8-12)9-20-14-18-17-13(19-14)11-4-6-16-7-5-11/h1-8H,9H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibition of GSK3beta (unknown origin)				Bioorg Med Chem Lett 24: 1532-7 (2014) Article DOI: 10.1016/j.bmcl.2014.01.078 BindingDB Entry DOI: 10.7270/Q2S46W05
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM8552 (2-{[(3-iodophenyl)methyl]sulfanyl}-5-(pyridin-4-yl...) Show SMILES Ic1cccc(CSc2nnc(o2)-c2ccncc2)c1 Show InChI InChI=1S/C14H10IN3OS/c15-12-3-1-2-10(8-12)9-20-14-18-17-13(19-14)11-4-6-16-7-5-11/h1-8H,9H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
The Rockefeller University Curated by ChEMBL					Assay Description Inhibition of GSK3-beta				Trends Pharmacol Sci 25: 471-80 (2004) Article DOI: 10.1016/j.tips.2004.07.006 BindingDB Entry DOI: 10.7270/Q2VX0HG5
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM8552 (2-{[(3-iodophenyl)methyl]sulfanyl}-5-(pyridin-4-yl...) Show SMILES Ic1cccc(CSc2nnc(o2)-c2ccncc2)c1 Show InChI InChI=1S/C14H10IN3OS/c15-12-3-1-2-10(8-12)9-20-14-18-17-13(19-14)11-4-6-16-7-5-11/h1-8H,9H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	790	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Darmstadt Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK3beta using pIRS-1 as substrate preincubated for 15 mins				J Med Chem 55: 4407-24 (2012) Article DOI: 10.1021/jm300309a BindingDB Entry DOI: 10.7270/Q2MG7QK0
					More data for this Ligand-Target Pair