Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Glycogen synthase kinase-3 beta' and Ligand = 'BDBM293454'   

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))	BDBM293454 (US10106527, Compound 57 | US10544128, Compound 57 ...) Show SMILES Cn1cc(cn1)-c1ccc2cnc(NC(=O)c3ccnc(c3)N3CC(N)C3)cc2c1 Show InChI InChI=1S/C22H21N7O/c1-28-11-18(10-26-28)14-2-3-16-9-25-20(7-17(16)6-14)27-22(30)15-4-5-24-21(8-15)29-12-19(23)13-29/h2-11,19H,12-13,23H2,1H3,(H,25,27,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	2.04E+3	n/a	n/a	n/a	25
Samumed, LLC US Patent					Assay Description Briefly, recombinant GSK3β kinase, ATP and Ser/Thr peptide 09 are prepared in 1× Kinase buffer to final concentrations of 0.04 μg/mL, 46 &#...				US Patent US10106527 (2018) BindingDB Entry DOI: 10.7270/Q2PN97Q3
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM293454 (US10106527, Compound 57 | US10544128, Compound 57 ...) Show SMILES Cn1cc(cn1)-c1ccc2cnc(NC(=O)c3ccnc(c3)N3CC(N)C3)cc2c1 Show InChI InChI=1S/C22H21N7O/c1-28-11-18(10-26-28)14-2-3-16-9-25-20(7-17(16)6-14)27-22(30)15-4-5-24-21(8-15)29-12-19(23)13-29/h2-11,19H,12-13,23H2,1H3,(H,25,27,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	2.04E+3	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2SJ1QR6
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM293454 (US10106527, Compound 57 | US10544128, Compound 57 ...) Show SMILES Cn1cc(cn1)-c1ccc2cnc(NC(=O)c3ccnc(c3)N3CC(N)C3)cc2c1 Show InChI InChI=1S/C22H21N7O/c1-28-11-18(10-26-28)14-2-3-16-9-25-20(7-17(16)6-14)27-22(30)15-4-5-24-21(8-15)29-12-19(23)13-29/h2-11,19H,12-13,23H2,1H3,(H,25,27,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	2.04E+3	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description The GSK3β kinase assay is run using the Ser/Thr 09 peptide Z-lyte assay kit according to manufacturer's instructions (Life Technologies—a Di...				US Patent US10544128 (2020) BindingDB Entry DOI: 10.7270/Q2H134DS
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM293454 (US10106527, Compound 57 | US10544128, Compound 57 ...) Show SMILES Cn1cc(cn1)-c1ccc2cnc(NC(=O)c3ccnc(c3)N3CC(N)C3)cc2c1 Show InChI InChI=1S/C22H21N7O/c1-28-11-18(10-26-28)14-2-3-16-9-25-20(7-17(16)6-14)27-22(30)15-4-5-24-21(8-15)29-12-19(23)13-29/h2-11,19H,12-13,23H2,1H3,(H,25,27,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	2.04E+3	n/a	n/a	n/a	n/a
Tanabe Research Laboratories USA					Assay Description The GSK3β kinase assay is run using the Ser/Thr 09 peptide Z-lyte assay kit according to manufacturer's instructions (Life Technologiesa Div...				Bioorg Med Chem Lett 17: 4442-6 (2007) BindingDB Entry DOI: 10.7270/Q2862JRD
					More data for this Ligand-Target Pair