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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50430733'   
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))		BDBM50430733
PNG
(CHEMBL2333936)
Show SMILES C[C@H](Cc1ccc(OCCCCCCNc2c3CCCCc3nc3ccccc23)cc1)N(C)CC#C |r|
Show InChI InChI=1S/C32H41N3O/c1-4-22-35(3)25(2)24-26-17-19-27(20-18-26)36-23-12-6-5-11-21-33-32-28-13-7-9-15-30(28)34-31-16-10-8-14-29(31)32/h1,7,9,13,15,17-20,25H,5-6,8,10-12,14,16,21-24H2,2-3H3,(H,33,34)/t25-/m1/s1
PDB

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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 16n/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