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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50147769'   
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


(Homo sapiens (Human))
BDBM50147769
PNG
(CHEMBL3764679)
Show SMILES Cc1ccc2NC(=O)C3(c2c1)C(C#N)=C(N)N1CCNC1=C3[N+]([O-])=O |c:23,t:15|
Show InChI InChI=1S/C16H14N6O3/c1-8-2-3-11-9(6-8)16(15(23)20-11)10(7-17)13(18)21-5-4-19-14(21)12(16)22(24)25/h2-3,6,19H,4-5,18H2,1H3,(H,20,23)
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Article
PubMed
n/an/a 1.63E+4n/an/an/an/an/an/a



Persian Gulf University

Curated by ChEMBL


Assay Description
Inhibition of BChE (unknown origin) using acetylthiocholine as substrate assessed as reduction of DTNB to TNB preincubated for 20 mins followed by ad...


Bioorg Med Chem 24: 1408-17 (2016)


Article DOI: 10.1016/j.bmc.2016.02.019
BindingDB Entry DOI: 10.7270/Q2028TDN
More data for this
Ligand-Target Pair