Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Probable nicotinate-nucleotide adenylyltransferase' and Ligand = 'BDBM98113'   

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)	BDBM98113 (1-[4-[(2-chlorophenyl)sulfonylamino]phenyl]-3-(4-n...) Show SMILES [O-][N+](=O)c1ccc(NC(=O)Nc2ccc(NS(=O)(=O)c3ccccc3Cl)cc2)cc1 Show InChI InChI=1S/C19H15ClN4O5S/c20-17-3-1-2-4-18(17)30(28,29)23-15-7-5-13(6-8-15)21-19(25)22-14-9-11-16(12-10-14)24(26)27/h1-12,23H,(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	1.73E+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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