BDBM50117085 CHEMBL81748::N-[2-(4-Amino-phenyldisulfanyl)-ethyl]-3-(3,5-difluoro-phenyl)-2-[(Z)-hydroxyimino]-propionamide
SMILES: Nc1ccc(SSCCNC(=O)C(Cc2cc(F)cc(F)c2)N=O)cc1
InChI Key: InChIKey=AVIUIZIPJNMQJN-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) | BDBM50117085 (CHEMBL81748 | N-[2-(4-Amino-phenyldisulfanyl)-ethy...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 4.50E+5 | 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 |