Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Glycogen synthase kinase-3 beta' and Ligand = 'BDBM385215'   

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))	BDBM385215 (US10287267, Compound 470 | US10508099, Compound 47...) Show SMILES Cn1cc(nn1)-c1ccc2cnc(NC(=O)C3CCN(CC4(CC4)C(F)(F)F)CC3)cc2c1 Show InChI InChI=1S/C23H25F3N6O/c1-31-13-19(29-30-31)16-2-3-17-12-27-20(11-18(17)10-16)28-21(33)15-4-8-32(9-5-15)14-22(6-7-22)23(24,25)26/h2-3,10-13,15H,4-9,14H2,1H3,(H,27,28,33)	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	4	n/a	n/a	n/a	n/a
Novartis					Assay Description Each compound is dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response curves f...				J Med Chem 51: 7049-52 (2008) BindingDB Entry DOI: 10.7270/Q2MS3W3C
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM385215 (US10287267, Compound 470 | US10508099, Compound 47...) Show SMILES Cn1cc(nn1)-c1ccc2cnc(NC(=O)C3CCN(CC4(CC4)C(F)(F)F)CC3)cc2c1 Show InChI InChI=1S/C23H25F3N6O/c1-31-13-19(29-30-31)16-2-3-17-12-27-20(11-18(17)10-16)28-21(33)15-4-8-32(9-5-15)14-22(6-7-22)23(24,25)26/h2-3,10-13,15H,4-9,14H2,1H3,(H,27,28,33)	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	4	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description Each compound is dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response curves f...				US Patent US10508099 (2019) BindingDB Entry DOI: 10.7270/Q2DJ5J0C
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM385215 (US10287267, Compound 470 | US10508099, Compound 47...) Show SMILES Cn1cc(nn1)-c1ccc2cnc(NC(=O)C3CCN(CC4(CC4)C(F)(F)F)CC3)cc2c1 Show InChI InChI=1S/C23H25F3N6O/c1-31-13-19(29-30-31)16-2-3-17-12-27-20(11-18(17)10-16)28-21(33)15-4-8-32(9-5-15)14-22(6-7-22)23(24,25)26/h2-3,10-13,15H,4-9,14H2,1H3,(H,27,28,33)	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	4	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q25X2DVD
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM385215 (US10287267, Compound 470 | US10508099, Compound 47...) Show SMILES Cn1cc(nn1)-c1ccc2cnc(NC(=O)C3CCN(CC4(CC4)C(F)(F)F)CC3)cc2c1 Show InChI InChI=1S/C23H25F3N6O/c1-31-13-19(29-30-31)16-2-3-17-12-27-20(11-18(17)10-16)28-21(33)15-4-8-32(9-5-15)14-22(6-7-22)23(24,25)26/h2-3,10-13,15H,4-9,14H2,1H3,(H,27,28,33)	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	4	n/a	n/a	n/a	n/a
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2RF5Z63
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM385215 (US10287267, Compound 470 | US10508099, Compound 47...) Show SMILES Cn1cc(nn1)-c1ccc2cnc(NC(=O)C3CCN(CC4(CC4)C(F)(F)F)CC3)cc2c1 Show InChI InChI=1S/C23H25F3N6O/c1-31-13-19(29-30-31)16-2-3-17-12-27-20(11-18(17)10-16)28-21(33)15-4-8-32(9-5-15)14-22(6-7-22)23(24,25)26/h2-3,10-13,15H,4-9,14H2,1H3,(H,27,28,33)	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	4	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description GSK3B: This is a non-radioactive assay using fluorescence resonance energy transfer (FRET) between coumarin and fluorescein to detect kinase activity...				US Patent US10556885 (2020) BindingDB Entry DOI: 10.7270/Q2ZW1P9Z
					More data for this Ligand-Target Pair