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 = 'BDBM50412827'   

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)	BDBM50412827 (CHEMBL611767) Show SMILES CC(C)(C)c1cn(nn1)-c1nc(N)c2ncn(C3OC(COS(=O)(=O)NC(=O)c4ccccc4O)C(O)C3O)c2n1 Show InChI InChI=1S/C23H27N9O8S/c1-23(2,3)14-8-32(30-28-14)22-26-18(24)15-19(27-22)31(10-25-15)21-17(35)16(34)13(40-21)9-39-41(37,38)29-20(36)11-6-4-5-7-12(11)33/h4-8,10,13,16-17,21,33-35H,9H2,1-3H3,(H,29,36)(H2,24,26,27)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.960	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 MbtA expressed in Escherichia coli assessed as ATP-[32P]Ppi exchange				J Med Chem 51: 7495-507 (2009) Article DOI: 10.1021/jm8008037 BindingDB Entry DOI: 10.7270/Q2HH6M96
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