Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'NH(3)-dependent NAD(+) synthetase' and Ligand = 'BDBM50130806'   

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
NH(3)-dependent NAD(+) synthetase (Bacillus subtilis)	BDBM50130806 (1-Methyl-3-[2-(5-nitro-indol-1-yl)-ethoxycarbonyl]...) Show SMILES C[n+]1cccc(c1)C(=O)OCCn1ccc2cc(ccc12)[N+]([O-])=O Show InChI InChI=1S/C17H16N3O4/c1-18-7-2-3-14(12-18)17(21)24-10-9-19-8-6-13-11-15(20(22)23)4-5-16(13)19/h2-8,11-12H,9-10H2,1H3/q+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
University of Alabama at Birmingham Curated by ChEMBL					Assay Description Inhibitory activity against Bacillus subtilis NAD synthetase				J Med Chem 46: 3371-81 (2003) Article DOI: 10.1021/jm030003x BindingDB Entry DOI: 10.7270/Q25T3M6Q
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