Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Probable nicotinate-nucleotide adenylyltransferase' and Ligand = 'BDBM81361'   

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)	BDBM81361 (NadD inhibitor 3_23 | US8785499, 3_23) Show SMILES Nc1c(sc2nc(ccc12)-c1ccc(F)cc1)C(=O)Nc1ccc(F)cc1Cl Show InChI InChI=1S/C20H12ClF2N3OS/c21-14-9-12(23)5-7-16(14)25-19(27)18-17(24)13-6-8-15(26-20(13)28-18)10-1-3-11(22)4-2-10/h1-9H,24H2,(H,25,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Institute for Medical Research					Assay Description The enzymatic assay was masured at fixed NaMN and ATP concentration (equal to two-fold km values)with various concentration of inhibitory compounds.				Chem Biol 16: 849-61 (2009) Article DOI: 10.1016/j.chembiol.2009.07.006 BindingDB Entry DOI: 10.7270/Q2N8787C
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