Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Salicyl-AMP ligase / salicyl-S-ArCP synthetase' and Ligand = 'BDBM50412381'   

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
Salicyl-AMP ligase / salicyl-S-ArCP synthetase (Mycobacterium tuberculosis)	BDBM50412381 (CHEMBL609098) Show SMILES OC1C(COS(=O)(=O)NC(=O)c2ccccc2O)OC(C1O)n1cnc2c1nc[nH]c2=O Show InChI InChI=1S/C17H17N5O9S/c23-9-4-2-1-3-8(9)15(26)21-32(28,29)30-5-10-12(24)13(25)17(31-10)22-7-20-11-14(22)18-6-19-16(11)27/h1-4,6-7,10,12-13,17,23-25H,5H2,(H,21,26)(H,18,19,27)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant MbtA expressed in Escherichia coli by ATP-PPi exchange assay				J Med Chem 51: 5349-70 (2008) Article DOI: 10.1021/jm800567v BindingDB Entry DOI: 10.7270/Q2BZ66X7
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