Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'NH(3)-dependent NAD(+) synthetase' and Ligand = 'BDBM50130834'   

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)	BDBM50130834 (CHEMBL115134 | {4-[8-(2-Methoxycarbonyl-indol-1-yl...) Show SMILES COC(=O)c1cc2ccccc2n1CCCCCCCCOC(=O)Cc1ccc(cc1)[N+](C)(C)C Show InChI InChI=1S/C29H39N2O4/c1-31(2,3)25-17-15-23(16-18-25)21-28(32)35-20-12-8-6-5-7-11-19-30-26-14-10-9-13-24(26)22-27(30)29(33)34-4/h9-10,13-18,22H,5-8,11-12,19-21H2,1-4H3/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	1.40E+4	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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