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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Butyrylcholinesterase (BuChE)' and Ligand = 'BDBM50111773'   
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))
BDBM50111773
PNG
(CHEMBL3605358)
Show SMILES [I-].[I-].C[n+]1ccc2n(CCCCCCn3c4ccccc4c4c[n+](C)ccc34)c3ccccc3c2c1
Show InChI InChI=1S/C21H35N5O8/c1-25-5-2-3-11(25)9-23-10-15(34-20-18(30)17(29)14(8-22)33-20)13-7-12(27)19(32-13)26-6-4-16(28)24-21(26)31/h4,6,11-15,17-20,23,27,29-30H,2-3,5,7-10,22H2,1H3,(H,24,28,31)/t11?,12-,13+,14-,15+,17-,18-,19-,20+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 94n/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