Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Enoyl-acyl carrier reductase ENR' and Ligand = 'BDBM50431919'   

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 reductase ENR (Toxoplasma gondii)	BDBM50431919 (CHEMBL2347830) Show SMILES CC(=O)N1CCN(Cc2ccc(Oc3ccc(Cl)cc3O)s2)CC1 Show InChI InChI=1S/C17H19ClN2O3S/c1-12(21)20-8-6-19(7-9-20)11-14-3-5-17(24-14)23-16-4-2-13(18)10-15(16)22/h2-5,10,22H,6-9,11H2,1H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	965	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of Toxoplasma gondii enoyl reductase assessed as conversion of trans-2-acyl-ACP to acyl-ACP				Bioorg Med Chem Lett 23: 2035-43 (2013) Article DOI: 10.1016/j.bmcl.2013.02.019 BindingDB Entry DOI: 10.7270/Q29Z968J
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