Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Glutamine--fructose-6-phosphate aminotransferase [isomerizing] 1' and Ligand = 'BDBM50356009'   

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
Glutamine--fructose-6-phosphate aminotransferase [isomerizing] 1 (Homo sapiens (Human))	BDBM50356009 (CHEMBL1911368) Show SMILES COc1cc2c(CNS(=O)(=O)C(F)(F)F)cnc(C(=O)c3cccc(OC(C)C)c3)c2cc1OC Show InChI InChI=1S/C23H23F3N2O6S/c1-13(2)34-16-7-5-6-14(8-16)22(29)21-18-10-20(33-4)19(32-3)9-17(18)15(11-27-21)12-28-35(30,31)23(24,25)26/h5-11,13,28H,12H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. Curated by ChEMBL					Assay Description Competitive inhibition of GFAT in presence of glutamine				Bioorg Med Chem Lett 21: 6264-9 (2011) Article DOI: 10.1016/j.bmcl.2011.09.009 BindingDB Entry DOI: 10.7270/Q21J9B6P
					More data for this Ligand-Target Pair
Glutamine--fructose-6-phosphate aminotransferase [isomerizing] 1 (Homo sapiens (Human))	BDBM50356009 (CHEMBL1911368) Show SMILES COc1cc2c(CNS(=O)(=O)C(F)(F)F)cnc(C(=O)c3cccc(OC(C)C)c3)c2cc1OC Show InChI InChI=1S/C23H23F3N2O6S/c1-13(2)34-16-7-5-6-14(8-16)22(29)21-18-10-20(33-4)19(32-3)9-17(18)15(11-27-21)12-28-35(30,31)23(24,25)26/h5-11,13,28H,12H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. Curated by ChEMBL					Assay Description Noncompetitive inhibition of GFAT in presence of fructose-6-phosphate				Bioorg Med Chem Lett 21: 6264-9 (2011) Article DOI: 10.1016/j.bmcl.2011.09.009 BindingDB Entry DOI: 10.7270/Q21J9B6P
					More data for this Ligand-Target Pair