BDBM50315605 CHEMBL1089085::Phenyl-2-deoxy-2-[3'-(8''-hydroxy-3''-methyl-1'',4''-dioxo-1'',4''-dihydronaphthalen-2''-yl)propanamido]-1-thio-alpha-D-glucopyranoside
SMILES: Cc1c(O)c2cccc(O)c2c(O)c1C=CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1Sc1ccccc1
InChI Key: InChIKey=RRQYMVJGXLGKPR-PBDOEIEUSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
LmbE-related protein (Mycobacterium tuberculosis) | BDBM50315605 (CHEMBL1089085 | Phenyl-2-deoxy-2-[3'-(8''-hydroxy-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.67E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cape Town Curated by ChEMBL | Assay Description Inhibition of Mycobacterium tuberculosis MshB expressed in Escherichia coli BL21 after 10 mins by HPLC analysis | Bioorg Med Chem 18: 2501-14 (2010) Article DOI: 10.1016/j.bmc.2010.02.049 BindingDB Entry DOI: 10.7270/Q2JH3M9C | |||||||||||
More data for this Ligand-Target Pair |