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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Butyrylcholinesterase (BuChE)' and Ligand = 'BDBM50111782'   
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
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50111782
PNG
(CHEMBL3605367)
Show SMILES CN1CCc2c(C1)c1ccccc1n2CCCCCCCn1c2CCN(C)Cc2c2ccccc12
Show InChI InChI=1S/C27H32N4O9/c28-13-20-23(34)24(35)26(39-20)40-21(19-12-18(32)25(38-19)31-11-10-22(33)30-27(31)36)14-29-15-6-8-17(9-7-15)37-16-4-2-1-3-5-16/h1-11,18-21,23-26,29,32,34-35H,12-14,28H2,(H,30,33,36)/t18-,19+,20-,21+,23-,24-,25-,26+/m1/s1
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 38n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of BChE in equine serum using butyrylthiocholine iodide substrate by Ellman assay


J Med Chem 58: 6710-5 (2015)


BindingDB Entry DOI: 10.7270/Q2QZ2CRZ
More data for this
Ligand-Target Pair