BDBM50411457 CHEMBL1162040

SMILES: Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)c2c(O)cccc2F)[C@@H](O)[C@H]1O

InChI Key: InChIKey=MNXSVFWFEXFDGV-DMEFTLKTSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50411457   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
2,3-dihydroxybenzoate-AMP ligase (Mycobacterium tuberculosis)	BDBM50411457 (CHEMBL1162040) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)c2c(O)cccc2F)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C17H17FN6O8S/c18-7-2-1-3-8(25)10(7)16(28)23-33(29,30)31-4-9-12(26)13(27)17(32-9)24-6-22-11-14(19)20-5-21-15(11)24/h1-3,5-6,9,12-13,17,25-27H,4H2,(H,23,28)(H2,19,20,21)/t9-,12-,13-,17-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.30	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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