Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Enoyl-acyl-carrier protein reductase' and Ligand = 'BDBM50174755'   

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)	BDBM50174755 (CHEMBL198831 | N-(3-chloro-4-(4-chloro-2-hydroxyph...) Show SMILES Oc1cc(Cl)ccc1Oc1ccc(NC(=O)N2CCOCC2)cc1Cl Show InChI InChI=1S/C17H16Cl2N2O4/c18-11-1-3-16(14(22)9-11)25-15-4-2-12(10-13(15)19)20-17(23)21-5-7-24-8-6-21/h1-4,9-10,22H,5-8H2,(H,20,23)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem	MMDB PDB Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Princ Curated by ChEMBL					Assay Description Inhibition of PfENR enzymatic activity				Bioorg Med Chem Lett 15: 5247-52 (2005) Article DOI: 10.1016/j.bmcl.2005.08.044 BindingDB Entry DOI: 10.7270/Q2NC60RF
					More data for this Ligand-Target Pair				3D Structure (crystal)