Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'NH(3)-dependent NAD(+) synthetase' and Ligand = 'BDBM50130813'   

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)	BDBM50130813 (CHEMBL113846 | Nicotinic acid 6-(5-nitro-indol-1-y...) Show SMILES [O-][N+](=O)c1ccc2n(CCCCCCOC(=O)c3cccnc3)ccc2c1 Show InChI InChI=1S/C20H21N3O4/c24-20(17-6-5-10-21-15-17)27-13-4-2-1-3-11-22-12-9-16-14-18(23(25)26)7-8-19(16)22/h5-10,12,14-15H,1-4,11,13H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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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