Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Enoyl-[acyl-carrier-protein] reductase [NADH] FabI' and Ligand = 'BDBM50481104'   

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 [NADH] FabI (Escherichia coli)	BDBM50481104 (CHEMBL566654) Show SMILES CN(Cc1[nH]c2ccccc2c1C)C(=O)\C=C\c1cnc2NC(=O)CCNc2c1 Show InChI InChI=1S/C22H23N5O2/c1-14-16-5-3-4-6-17(16)25-19(14)13-27(2)21(29)8-7-15-11-18-22(24-12-15)26-20(28)9-10-23-18/h3-8,11-12,23,25H,9-10,13H2,1-2H3,(H,24,26,28)/b8-7+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	840	n/a	n/a	n/a	n/a	n/a	n/a
Affinium Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of Escherichia coli FabI				Bioorg Med Chem Lett 19: 5359-62 (2009) Article DOI: 10.1016/j.bmcl.2009.07.094 BindingDB Entry DOI: 10.7270/Q2571FT3
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