BDBM50086504 2-Bromo-1,4,5-trihydroxy-3-oxo-cyclohexanecarboxylic acid anion
SMILES: OC1CC(O)(C(Br)C(=O)C1O)C([O-])=O
InChI Key: InChIKey=YAECDEPMCVIYIR-UHFFFAOYSA-M
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Type 1 dehydroquinase (Escherichia coli (strain K12)) | BDBM50086504 (2-Bromo-1,4,5-trihydroxy-3-oxo-cyclohexanecarboxyl...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | PubMed | 3.70E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University Chemical Laboratory Curated by ChEMBL | Assay Description Tested for the binding affinity against dehydroquinase | Bioorg Med Chem Lett 10: 407-9 (2000) BindingDB Entry DOI: 10.7270/Q2ST7QBV | |||||||||||
More data for this Ligand-Target Pair |