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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50138752'   
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))
BDBM50138752
PNG
(5-Methylsulfanyl-3-((E)-styryl)-[1,2,4]triazole-1-...)
Show SMILES CSc1nc(\C=C\c2ccccc2)nn1C(=O)N(C)C
Show InChI InChI=1S/C14H16N4OS/c1-17(2)14(19)18-13(20-3)15-12(16-18)10-9-11-7-5-4-6-8-11/h4-10H,1-3H3/b10-9+
PDB
MMDB

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PC cid
PC sid
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Article
PubMed
n/an/a 370n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibitory concentration against butyrylcholinesterase.


J Med Chem 47: 400-10 (2004)


Article DOI: 10.1021/jm031004s
BindingDB Entry DOI: 10.7270/Q2ZG6RN1
More data for this
Ligand-Target Pair