BDBM50117088 8,10-Dibromo-4-hydroxy-9-methoxy-1,6-dioxa-2-aza-spiro[4.6]undeca-2,7,9-triene-3-carboxylic acid {2-[4-(2-amino-ethyl)-2,6-dibromo-phenoxy]-ethyl}-amide::CHEMBL2367683
SMILES: COC1=C(Br)C[C@@]2(ON=C([C@@H]2O)C(=O)NCCOc2c(Br)cc(CCN)cc2Br)OC=C1Br
InChI Key: InChIKey=HXZJJMWWLXYLEN-ICSRJNTNSA-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) | BDBM50117088 (8,10-Dibromo-4-hydroxy-9-methoxy-1,6-dioxa-2-aza-s...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 2.00E+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 |