BDBM50412837 CHEMBL609103

SMILES: CCOC(=O)c1cn(nn1)-c1nc(N)c2ncn(C3OC(COS(=O)(=O)NC(=O)c4ccccc4O)C(O)C3O)c2n1

InChI Key: InChIKey=SKAWTNZJHSCDMM-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 = 50412837   

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)	BDBM50412837 (CHEMBL609103) Show SMILES CCOC(=O)c1cn(nn1)-c1nc(N)c2ncn(C3OC(COS(=O)(=O)NC(=O)c4ccccc4O)C(O)C3O)c2n1 Show InChI InChI=1S/C22H23N9O10S/c1-2-39-21(36)11-7-31(29-27-11)22-25-17(23)14-18(26-22)30(9-24-14)20-16(34)15(33)13(41-20)8-40-42(37,38)28-19(35)10-5-3-4-6-12(10)32/h3-7,9,13,15-16,20,32-34H,2,8H2,1H3,(H,28,35)(H2,23,25,26)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.20	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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