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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50161808'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cholinesterase


(Equus caballus (Horse))
BDBM50161808
PNG
(CHEMBL3785460)
Show SMILES COc1ccc(\C=C2/COC\C(=C/c3ccc(OC)c(OC)c3Cl)C2=O)c(Cl)c1OC
Show InChI InChI=1S/C23H22Cl2O6/c1-27-17-7-5-13(19(24)22(17)29-3)9-15-11-31-12-16(21(15)26)10-14-6-8-18(28-2)23(30-4)20(14)25/h5-10H,11-12H2,1-4H3/b15-9+,16-10+
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Wuhan University of Technology

Curated by ChEMBL


Assay Description
Inhibition of horse serum BChE using butrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured for 10 min...


Bioorg Med Chem 24: 2352-9 (2016)


Article DOI: 10.1016/j.bmc.2016.04.015
BindingDB Entry DOI: 10.7270/Q2S46TVJ
More data for this
Ligand-Target Pair