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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM11689'   
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...)
BDBM11689
PNG
((3aS,8aS)-1,3a,8-trimethyl-5-{[(3-methylphenyl)car...)
Show SMILES [H][C@@]12N(C)c3ccc(OC(=O)Nc4cccc(C)c4)cc3[C@]1(C)CC[N+]2(C)[O-] |r|
Show InChI InChI=1S/C21H25N3O3/c1-14-6-5-7-15(12-14)22-20(25)27-16-8-9-18-17(13-16)21(2)10-11-24(4,26)19(21)23(18)3/h5-9,12-13,19H,10-11H2,1-4H3,(H,22,25)/t19-,21-,24?/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.13E+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