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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carboxylic ester hydrolase' and Ligand = 'BDBM36552'   
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
Carboxylic ester hydrolase


(Rattus norvegicus (rat))
BDBM36552
PNG
(Prochelators, 2)
Show SMILES CN(CC#C)Cc1ccc(OC(=O)N(C)C)c2ncccc12
Show InChI InChI=1S/C17H19N3O2/c1-5-11-20(4)12-13-8-9-15(22-17(21)19(2)3)16-14(13)7-6-10-18-16/h1,6-10H,11-12H2,2-4H3
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.49E+4n/an/an/an/a7.437



The Weizmann Institute of Science



Assay Description
Inhibition of AChE and BChE activity in rat brain homogenates using Ellman's method.


ACS Chem Biol 5: 603-10 (2010)


Article DOI: 10.1021/cb900264w
BindingDB Entry DOI: 10.7270/Q2959FX1
More data for this
Ligand-Target Pair