BDBM50412374 CHEMBL612056

SMILES: CCCNc1ncnc2n(cnc12)C1OC(COS(=O)(=O)NC(=O)c2ccccc2O)C(O)C1O

InChI Key: InChIKey=OHGYJSOOMXPMMT-UHFFFAOYSA-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 = 50412374   

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)	BDBM50412374 (CHEMBL612056) Show SMILES CCCNc1ncnc2n(cnc12)C1OC(COS(=O)(=O)NC(=O)c2ccccc2O)C(O)C1O Show InChI InChI=1S/C20H24N6O8S/c1-2-7-21-17-14-18(23-9-22-17)26(10-24-14)20-16(29)15(28)13(34-20)8-33-35(31,32)25-19(30)11-5-3-4-6-12(11)27/h3-6,9-10,13,15-16,20,27-29H,2,7-8H2,1H3,(H,25,30)(H,21,22,23)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.5	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 51: 5349-70 (2008) Article DOI: 10.1021/jm800567v BindingDB Entry DOI: 10.7270/Q2BZ66X7
					More data for this Ligand-Target Pair