BDBM50209967 4-[2-(3,4-dimethoxy-phenyl)-ethylamino]-3-nitro-5-sulfamoyl-benzoic acid::CHEMBL396982
SMILES: COc1ccc(CCNc2c(cc(cc2S(N)(=O)=O)C(O)=O)[N+]([O-])=O)cc1OC
InChI Key: InChIKey=MVDGTXRZTZNCEM-UHFFFAOYSA-N
Data: 1 KI
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Chorismate mutase (MTB CM) (Mycobacterium tuberculosis H37Rv) | BDBM50209967 (4-[2-(3,4-dimethoxy-phenyl)-ethylamino]-3-nitro-5-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | 5.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Central Drug Research Institute Curated by ChEMBL | Assay Description Inhibition of chorismate mutase in Mycobacterium tuberculosis H37Rv strain | Bioorg Med Chem Lett 17: 3053-8 (2007) Article DOI: 10.1016/j.bmcl.2007.03.053 BindingDB Entry DOI: 10.7270/Q2028R7K | |||||||||||
More data for this Ligand-Target Pair |