BDBM50117079 3-(3-Chloro-4-hydroxy-phenyl)-N-[2-(4-fluoro-phenyldisulfanyl)-ethyl]-2-[(Z)-hydroxyimino]-propionamide::CHEMBL81695
SMILES: Oc1ccc(CC(N=O)C(=O)NCCSSc2ccc(F)cc2)cc1Cl
InChI Key: InChIKey=SYUMKCHRGGQZJN-UHFFFAOYSA-N
Data: 1 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Mycothiol S-conjugate amidase (Mycobacterium tuberculosis) | BDBM50117079 (3-(3-Chloro-4-hydroxy-phenyl)-N-[2-(4-fluoro-pheny...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 3.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL | Assay Description Inhibition of Mycothiol -S-conjugate amidase (MCA) from mycobacterium tuberculosis | Bioorg Med Chem Lett 12: 2487-90 (2002) BindingDB Entry DOI: 10.7270/Q2XD111C | |||||||||||
More data for this Ligand-Target Pair |