Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Glycogen synthase kinase-3 beta' and Ligand = 'BDBM294093'   

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))	BDBM294093 (1-Benzyl-7-chloro-N′dodecanoyl-4-hydroxy-2-o...) Show SMILES CCCCCCCCCCCC(=O)NNC(=O)c1c(O)c2ccc(Cl)cc2n(Cc2ccccc2)c1=O Show InChI InChI=1S/C29H36ClN3O4/c1-2-3-4-5-6-7-8-9-13-16-25(34)31-32-28(36)26-27(35)23-18-17-22(30)19-24(23)33(29(26)37)20-21-14-11-10-12-15-21/h10-12,14-15,17-19,35H,2-9,13,16,20H2,1H3,(H,31,34)(H,32,36)	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	5.99E+3	n/a	n/a	n/a	n/a	n/a	30
Consejo Superior de Investigaciones Cientificas (CSIC) US Patent					Assay Description The enzyme inhibition assays were performed using the luminometric methodology of kinase-Glo. The recombinant human GSK3 enzyme (catalogue no. 14-306...				US Patent US9585879 (2017) BindingDB Entry DOI: 10.7270/Q2HX1FQR
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM294093 (1-Benzyl-7-chloro-N′dodecanoyl-4-hydroxy-2-o...) Show SMILES CCCCCCCCCCCC(=O)NNC(=O)c1c(O)c2ccc(Cl)cc2n(Cc2ccccc2)c1=O Show InChI InChI=1S/C29H36ClN3O4/c1-2-3-4-5-6-7-8-9-13-16-25(34)31-32-28(36)26-27(35)23-18-17-22(30)19-24(23)33(29(26)37)20-21-14-11-10-12-15-21/h10-12,14-15,17-19,35H,2-9,13,16,20H2,1H3,(H,31,34)(H,32,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.99E+3	n/a	n/a	n/a	n/a	n/a	n/a
Centro de Investigaciones Biol�gicas-CSIC , Ramiro de Maeztu 9, 28040 Madrid, Spain. Curated by ChEMBL					Assay Description Allosteric inhibition of human recombinant full length N-terminal GST-tagged GSK3beta expressed in fall armyworm Sf9 cells after 30 min in presence o...				J Med Chem 60: 4983-5001 (2017) Article DOI: 10.1021/acs.jmedchem.7b00395 BindingDB Entry DOI: 10.7270/Q2NC63B9
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM294093 (1-Benzyl-7-chloro-N′dodecanoyl-4-hydroxy-2-o...) Show SMILES CCCCCCCCCCCC(=O)NNC(=O)c1c(O)c2ccc(Cl)cc2n(Cc2ccccc2)c1=O Show InChI InChI=1S/C29H36ClN3O4/c1-2-3-4-5-6-7-8-9-13-16-25(34)31-32-28(36)26-27(35)23-18-17-22(30)19-24(23)33(29(26)37)20-21-14-11-10-12-15-21/h10-12,14-15,17-19,35H,2-9,13,16,20H2,1H3,(H,31,34)(H,32,36)	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	5.99E+3	n/a	n/a	n/a	n/a	n/a	n/a
Consejo Superior de Investigaciones Cientificas (CSIC) US Patent					Assay Description The enzyme inhibition assays were performed using the luminometric methodology of Kinase-Glo®. The recombinant human GSK3 enzyme (catalogue no. 14-30...				US Patent US9757369 (2017) BindingDB Entry DOI: 10.7270/Q2NK3H5Z
					More data for this Ligand-Target Pair