BDBM50117087 CHEMBL194868::CHEMBL312219::N-[2-(4-Amino-phenyldisulfanyl)-ethyl]-3-(3-bromo-phenyl)-2-[(Z)-hydroxyimino]-propionamide
SMILES: Nc1ccc(SSCCNC(=O)C(Cc2cccc(Br)c2)N=O)cc1
InChI Key: InChIKey=RWSXENRHGAVEJI-UHFFFAOYSA-N
Data: 3 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) | BDBM50117087 (CHEMBL194868 | CHEMBL312219 | N-[2-(4-Amino-phenyl...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1.85E+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 | |||||||||||||
Mycothiol S-conjugate amidase (Mycobacterium tuberculosis) | BDBM50117087 (CHEMBL194868 | CHEMBL312219 | N-[2-(4-Amino-phenyl...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.85E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Curated by ChEMBL | Assay Description Inhibition of Mycobacterium tuberculosis detoxification enzyme mycothiol-S-conjugate amidase (MCA) | J Med Chem 48: 5613-38 (2005) Article DOI: 10.1021/jm050524f BindingDB Entry DOI: 10.7270/Q2V988V1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mycothiol S-conjugate amidase (Mycobacterium tuberculosis) | BDBM50117087 (CHEMBL194868 | CHEMBL312219 | N-[2-(4-Amino-phenyl...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.85E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Curated by ChEMBL | Assay Description Inhibition of Mycobacterium tuberculosis detoxification enzyme mycothiol-S-conjugate amidase (MCA) | J Med Chem 48: 5613-38 (2005) Article DOI: 10.1021/jm050524f BindingDB Entry DOI: 10.7270/Q2V988V1 | |||||||||||
More data for this Ligand-Target Pair |