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 = 'BDBM8717'   

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 (Haemophilus influenzae)	BDBM8717 (3-[(N-Acetyl-N-methylamino)methyl]-N-methyl-N-(1-m...) Show SMILES CN(Cc1cc2ccccc2n1C)C(=O)c1cccc(CN(C)C(C)=O)c1 Show InChI InChI=1S/C22H25N3O2/c1-16(26)23(2)14-17-8-7-10-19(12-17)22(27)24(3)15-20-13-18-9-5-6-11-21(18)25(20)4/h5-13H,14-15H2,1-4H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.21E+5	n/a	n/a	n/a	n/a	n/a	30
GlaxoSmithKline					Assay Description Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each e...				J Med Chem 45: 3246-56 (2002) Article DOI: 10.1021/jm020050+ BindingDB Entry DOI: 10.7270/Q2J38QQR
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