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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterases' and Ligand = 'BDBM50391205'   
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
Cholinesterases


(Homo sapiens (Human))
BDBM50391205
PNG
(CHEMBL2088783)
Show SMILES Nc1nc(NC2CCN(Cc3ccccc3)CC2)c(cc1C#N)C#N
Show InChI InChI=1S/C19H20N6/c20-11-15-10-16(12-21)19(24-18(15)22)23-17-6-8-25(9-7-17)13-14-4-2-1-3-5-14/h1-5,10,17H,6-9,13H2,(H3,22,23,24)
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Instituto de Qu£mica Org£nica General (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human serum BChE using butyrylthiocholine as substrate by Ellman method


Eur J Med Chem 57: 296-301 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.030
BindingDB Entry DOI: 10.7270/Q2MP54CK
More data for this
Ligand-Target Pair