Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Probable nicotinate-nucleotide adenylyltransferase' and Ligand = 'BDBM98122'   

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)	BDBM98122 (1-(4-nitrophenyl)-3-[4-[[2-(trifluoromethyl)phenyl...) Show SMILES [O-][N+](=O)c1ccc(NC(=O)Nc2ccc(NS(=O)(=O)c3ccccc3C(F)(F)F)cc2)cc1 Show InChI InChI=1S/C20H15F3N4O5S/c21-20(22,23)17-3-1-2-4-18(17)33(31,32)26-15-7-5-13(6-8-15)24-19(28)25-14-9-11-16(12-10-14)27(29)30/h1-12,26H,(H2,24,25,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.33E+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
					More data for this Ligand-Target Pair