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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50430729'   
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))
BDBM50430729
PNG
(CHEMBL2333927)
Show SMILES C[C@H](Cc1ccc(OCCCNc2c3CCCCc3nc3cc(Cl)ccc23)cc1)N(C)CC#C |r|
Show InChI InChI=1S/C29H34ClN3O/c1-4-17-33(3)21(2)19-22-10-13-24(14-11-22)34-18-7-16-31-29-25-8-5-6-9-27(25)32-28-20-23(30)12-15-26(28)29/h1,10-15,20-21H,5-9,16-19H2,2-3H3,(H,31,32)/t21-/m1/s1
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 66n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of horse serum BChE using butylthiocholine chloride as substrate after 15 mins by Ellman's method


Eur J Med Chem 62: 745-53 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.039
BindingDB Entry DOI: 10.7270/Q2C82BN6
More data for this
Ligand-Target Pair