Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Probable nicotinate-nucleotide adenylyltransferase' and Ligand = 'BDBM98135'   

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
Probable nicotinate-nucleotide adenylyltransferase (Bacillus anthracis)	BDBM98135 (1-[4-[(3-methoxyphenyl)sulfonylamino]phenyl]-3-(4-...) Show SMILES COc1cccc(c1)S(=O)(=O)Nc1ccc(NC(=O)Nc2ccc(cc2)[N+]([O-])=O)cc1 Show InChI InChI=1S/C20H18N4O6S/c1-30-18-3-2-4-19(13-18)31(28,29)23-16-7-5-14(6-8-16)21-20(25)22-15-9-11-17(12-10-15)24(26)27/h2-13,23H,1H3,(H2,21,22,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	7.5	0
University of Alabama at Birmingham					Assay Description Inhibitory concentration of the compound measured against B. anthracis Nicotinic acid mononucleotide adenylyltransferase (NaMNAT)using HPLC Enzyme As...				J Comb Chem 11: 617-25 (2009) Article DOI: 10.1021/cc9000357 BindingDB Entry DOI: 10.7270/Q2K35S9C
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