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 = 'BDBM50411463'   

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)	BDBM50411463 (CHEMBL1162052) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)c2c(F)c(F)c(N=[N+]=[N-])c(F)c2F)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C17H13F4N9O7S/c18-6-5(7(19)9(21)10(8(6)20)27-29-23)16(33)28-38(34,35)36-1-4-12(31)13(32)17(37-4)30-3-26-11-14(22)24-2-25-15(11)30/h2-4,12-13,17,31-32H,1H2,(H,28,33)(H2,22,24,25)/t4-,12-,13-,17-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	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 50: 6080-94 (2007) Article DOI: 10.1021/jm070905o BindingDB Entry DOI: 10.7270/Q298887N
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