Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'NH(3)-dependent NAD(+) synthetase' and Ligand = 'BDBM50266738'   

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 anthracis)	BDBM50266738 (1,1'-(1,3-phenylenebis(methylene))bis(3-(4-methoxy...) Show SMILES COc1ccc(CCNC(=O)NCc2cccc(CNC(=O)NCCc3ccc(OC)cc3)c2)cc1 Show InChI InChI=1S/C28H34N4O4/c1-35-25-10-6-21(7-11-25)14-16-29-27(33)31-19-23-4-3-5-24(18-23)20-32-28(34)30-17-15-22-8-12-26(36-2)13-9-22/h3-13,18H,14-17,19-20H2,1-2H3,(H2,29,31,33)(H2,30,32,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Alabama at Birmingham Curated by ChEMBL					Assay Description Inhibition of Bacillus anthracis NAD synthetase				Bioorg Med Chem Lett 19: 2001-5 (2009) Article DOI: 10.1016/j.bmcl.2009.02.034 BindingDB Entry DOI: 10.7270/Q2ST7PQC
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