Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Bifunctional glucose-6-phosphate 1-dehydrogenase/6-phosphogluconolactonase' and Ligand = 'BDBM50292581'   

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
Bifunctional glucose-6-phosphate 1-dehydrogenase/6-phosphogluconolactonase (Plasmodium falciparum (isolate 3D7))	BDBM50292581 (CHEMBL4165870) Show SMILES CCN1CCC[C@@H]1CNC(=O)c1ccc2Sc3c(C)cccc3C(=O)Nc2c1 |r| Show InChI InChI=1S/C22H25N3O2S/c1-3-25-11-5-7-16(25)13-23-21(26)15-9-10-19-18(12-15)24-22(27)17-8-4-6-14(2)20(17)28-19/h4,6,8-10,12,16H,3,5,7,11,13H2,1-2H3,(H,23,26)(H,24,27)/t16-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Competitive inhibition of Plasmodium falciparum G6PD-6PGL using G6P as substrate in presence of NADP+ by Lineweaver-Burk plot analysis				Eur J Med Chem 146: 108-122 (2018) Article DOI: 10.1016/j.ejmech.2018.01.044 BindingDB Entry DOI: 10.7270/Q2CN76FJ
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