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

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50086504   

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...) Show SMILES OC1CC(O)(C(Br)C(=O)C1O)C([O-])=O Show InChI InChI=1S/C7H9BrO6/c8-5-4(11)3(10)2(9)1-7(5,14)6(12)13/h2-3,5,9-10,14H,1H2,(H,12,13)/p-1	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