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 = 'BDBM50412371'   

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)	BDBM50412371 (CHEMBL612053) Show SMILES OC1C(COS(=O)(=O)NC(=O)c2ccccc2O)OC(C1O)n1cnc2c(NC3CC3)ncnc12 Show InChI InChI=1S/C20H22N6O8S/c27-12-4-2-1-3-11(12)19(30)25-35(31,32)33-7-13-15(28)16(29)20(34-13)26-9-23-14-17(24-10-5-6-10)21-8-22-18(14)26/h1-4,8-10,13,15-16,20,27-29H,5-7H2,(H,25,30)(H,21,22,24)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.85	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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