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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM11683'   
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
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)
BDBM11683
PNG
((3aS,8aS)-1,3a,8-trimethyl-5-[(methylcarbamoyl)oxy...)
Show SMILES [H][C@@]12N(C)c3ccc(OC(=O)NC)cc3[C@]1(C)CC[N+]2(C)[O-] |r|
Show InChI InChI=1S/C15H21N3O3/c1-15-7-8-18(4,20)13(15)17(3)12-6-5-10(9-11(12)15)21-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15-,18?/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.74E+3n/an/an/an/a8.022



Istituto di Cristallografia



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at ...


J Med Chem 49: 5051-8 (2006)


Article DOI: 10.1021/jm060293s
BindingDB Entry DOI: 10.7270/Q2DN439P
More data for this
Ligand-Target Pair