Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Glycogen synthase kinase-3 alpha' and Ligand = 'BDBM8226'   

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 alpha (Homo sapiens (Human))	BDBM8226 (3-[(3-chlorophenyl)amino]-4-(2-methoxyphenyl)-2,5-...) Show SMILES COc1ccccc1C1=C(Nc2cccc(Cl)c2)C(=O)NC1=O |c:9| Show InChI InChI=1S/C17H13ClN2O3/c1-23-13-8-3-2-7-12(13)14-15(17(22)20-16(14)21)19-11-6-4-5-10(18)9-11/h2-9H,1H3,(H2,19,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE 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
TBA					Assay Description Inhibition of GSK3alpha (unknown origin) assessed as transfer of radiolabelled phosphate group from ATP by reaction biology method				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01579 BindingDB Entry DOI: 10.7270/Q2ST7TPK
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 alpha (Homo sapiens (Human))	BDBM8226 (3-[(3-chlorophenyl)amino]-4-(2-methoxyphenyl)-2,5-...) Show SMILES COc1ccccc1C1=C(Nc2cccc(Cl)c2)C(=O)NC1=O |c:9| Show InChI InChI=1S/C17H13ClN2O3/c1-23-13-8-3-2-7-12(13)14-15(17(22)20-16(14)21)19-11-6-4-5-10(18)9-11/h2-9H,1H3,(H2,19,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	114	n/a	n/a	n/a	n/a	7.0	22
SmithKline Beecham Pharmaceuticals					Assay Description The biochemical activity of compounds was determined by incubation with specific enzyme and substrate in the presence 10 uM ATP/ [gamma-33P] ATP. Aft...				Bioorg Med Chem Lett 11: 635-9 (2001) Article DOI: 10.1016/s0960-894x(00)00721-6 BindingDB Entry DOI: 10.7270/Q2QV3JRC
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 alpha (Homo sapiens (Human))	BDBM8226 (3-[(3-chlorophenyl)amino]-4-(2-methoxyphenyl)-2,5-...) Show SMILES COc1ccccc1C1=C(Nc2cccc(Cl)c2)C(=O)NC1=O |c:9| Show InChI InChI=1S/C17H13ClN2O3/c1-23-13-8-3-2-7-12(13)14-15(17(22)20-16(14)21)19-11-6-4-5-10(18)9-11/h2-9H,1H3,(H2,19,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of NanoLuc-fused GSK3A (unknown origin) expressed in HEK293T cells after 2 hrs by NanoBRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01579 BindingDB Entry DOI: 10.7270/Q2ST7TPK
					More data for this Ligand-Target Pair