Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI' and Ligand = 'BDBM50123845'   

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 [NADPH] FabI (Staphylococcus aureus)	BDBM50123845 (CHEMBL3623425) Show SMILES Cc1cc(Cl)ccc1Oc1cn(Cc2ccccc2)c(COc2ccccc2)cc1=O Show InChI InChI=1S/C26H22ClNO3/c1-19-14-21(27)12-13-25(19)31-26-17-28(16-20-8-4-2-5-9-20)22(15-24(26)29)18-30-23-10-6-3-7-11-23/h2-15,17H,16,18H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	650	n/a	n/a	n/a	n/a	n/a	n/a
The Catholic University of Korea Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus FabI assessed as reduction in inhibition of reduction of trans-2-octenoyl N-acetylcysteamine substrate by spectro...				Bioorg Med Chem Lett 25: 4481-6 (2015) Article DOI: 10.1016/j.bmcl.2015.08.077 BindingDB Entry DOI: 10.7270/Q2154JV0
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