Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Enoyl-acyl-carrier protein reductase' and Ligand = 'BDBM50211884'   

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
Enoyl-acyl-carrier protein reductase (Plasmodium falciparum)	BDBM50211884 ((Z)-5-(4-hydroxy-3-methoxybenzylidene)-3-(4-hydrox...) Show SMILES COc1cc(\C=C2/SC(=S)N(C2=O)c2ccc(O)cc2)ccc1O Show InChI InChI=1S/C17H13NO4S2/c1-22-14-8-10(2-7-13(14)20)9-15-16(21)18(17(23)24-15)11-3-5-12(19)6-4-11/h2-9,19-20H,1H3/b15-9-	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	870	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum recombinant enoyl ACP reductase expressed in BL21 (DE3) cells				J Med Chem 50: 2665-75 (2007) Article DOI: 10.1021/jm061257w BindingDB Entry DOI: 10.7270/Q2ZP46X9
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