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 = 'BDBM50412838'   

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)	BDBM50412838 (CHEMBL608838) Show SMILES COC(=O)c1cn(nn1)-c1nc(N)c2ncn(C3OC(COS(=O)(=O)NC(=O)c4ccccc4O)C(O)C3O)c2n1 Show InChI InChI=1S/C21H21N9O10S/c1-38-20(35)10-6-30(28-26-10)21-24-16(22)13-17(25-21)29(8-23-13)19-15(33)14(32)12(40-19)7-39-41(36,37)27-18(34)9-4-2-3-5-11(9)31/h2-6,8,12,14-15,19,31-33H,7H2,1H3,(H,27,34)(H2,22,24,25)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.10	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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