Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'NH(3)-dependent NAD(+) synthetase' and Ligand = 'BDBM50130828'   

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)	BDBM50130828 (3-(2-{2-[2-(5-Benzyloxy-indol-1-yl)-ethoxy]-ethoxy...) Show SMILES C[n+]1cccc(c1)C(=O)OCCOCCOCCn1ccc2cc(OCc3ccccc3)ccc12 Show InChI InChI=1S/C28H31N2O5/c1-29-12-5-8-25(21-29)28(31)34-19-18-33-17-16-32-15-14-30-13-11-24-20-26(9-10-27(24)30)35-22-23-6-3-2-4-7-23/h2-13,20-21H,14-19,22H2,1H3/q+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+5	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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