BindingDB logo
myBDB logout

BDBM50162933 CHEMBL3794374

SMILES: Oc1ccc(cc1)-c1cc2cc(Br)ccc2o1

InChI Key: InChIKey=RHFCUYVQYMOTMK-UHFFFAOYSA-N

Data: 1 IC50

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 = 50162933   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50162933
PNG
(CHEMBL3794374)
Show SMILES Oc1ccc(cc1)-c1cc2cc(Br)ccc2o1
Show InChI InChI=1S/C14H9BrO2/c15-11-3-6-13-10(7-11)8-14(17-13)9-1-4-12(16)5-2-9/h1-8,16H
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of equine BChE using S-butyrylthiocholine chloride as substrate by Ellman's method


Bioorg Med Chem Lett 26: 2308-13 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.039
BindingDB Entry DOI: 10.7270/Q2ZP481G
More data for this
Ligand-Target Pair