Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Glycogen synthase kinase-3 beta' and Ligand = 'BDBM385165'   

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))	BDBM385165 (US10287267, Compound 325 | US10508099, Compound 32...) Show SMILES Cn1cc(cn1)-c1ccc2cnc(NC(=O)C3CC4(C3)CN(C4)C(=O)C(F)(F)F)cc2c1 Show InChI InChI=1S/C22H20F3N5O2/c1-29-10-17(9-27-29)13-2-3-14-8-26-18(5-15(14)4-13)28-19(31)16-6-21(7-16)11-30(12-21)20(32)22(23,24)25/h2-5,8-10,16H,6-7,11-12H2,1H3,(H,26,28,31)	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	3	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))	BDBM385165 (US10287267, Compound 325 | US10508099, Compound 32...) Show SMILES Cn1cc(cn1)-c1ccc2cnc(NC(=O)C3CC4(C3)CN(C4)C(=O)C(F)(F)F)cc2c1 Show InChI InChI=1S/C22H20F3N5O2/c1-29-10-17(9-27-29)13-2-3-14-8-26-18(5-15(14)4-13)28-19(31)16-6-21(7-16)11-30(12-21)20(32)22(23,24)25/h2-5,8-10,16H,6-7,11-12H2,1H3,(H,26,28,31)	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	3	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))	BDBM385165 (US10287267, Compound 325 | US10508099, Compound 32...) Show SMILES Cn1cc(cn1)-c1ccc2cnc(NC(=O)C3CC4(C3)CN(C4)C(=O)C(F)(F)F)cc2c1 Show InChI InChI=1S/C22H20F3N5O2/c1-29-10-17(9-27-29)13-2-3-14-8-26-18(5-15(14)4-13)28-19(31)16-6-21(7-16)11-30(12-21)20(32)22(23,24)25/h2-5,8-10,16H,6-7,11-12H2,1H3,(H,26,28,31)	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	3	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))	BDBM385165 (US10287267, Compound 325 | US10508099, Compound 32...) Show SMILES Cn1cc(cn1)-c1ccc2cnc(NC(=O)C3CC4(C3)CN(C4)C(=O)C(F)(F)F)cc2c1 Show InChI InChI=1S/C22H20F3N5O2/c1-29-10-17(9-27-29)13-2-3-14-8-26-18(5-15(14)4-13)28-19(31)16-6-21(7-16)11-30(12-21)20(32)22(23,24)25/h2-5,8-10,16H,6-7,11-12H2,1H3,(H,26,28,31)	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	3	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))	BDBM385165 (US10287267, Compound 325 | US10508099, Compound 32...) Show SMILES Cn1cc(cn1)-c1ccc2cnc(NC(=O)C3CC4(C3)CN(C4)C(=O)C(F)(F)F)cc2c1 Show InChI InChI=1S/C22H20F3N5O2/c1-29-10-17(9-27-29)13-2-3-14-8-26-18(5-15(14)4-13)28-19(31)16-6-21(7-16)11-30(12-21)20(32)22(23,24)25/h2-5,8-10,16H,6-7,11-12H2,1H3,(H,26,28,31)	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	3	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