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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM11693'   
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...)
BDBM11693
PNG
((3aS,8aS)-5-{[(3,5-dimethylphenyl)carbamoyl]oxy}-1...)
Show SMILES [H][C@@]12N(C)c3ccc(OC(=O)Nc4cc(C)cc(C)c4)cc3[C@]1(C)CC[N+]2(C)[O-] |r|
Show InChI InChI=1S/C22H27N3O3/c1-14-10-15(2)12-16(11-14)23-21(26)28-17-6-7-19-18(13-17)22(3)8-9-25(5,27)20(22)24(19)4/h6-7,10-13,20H,8-9H2,1-5H3,(H,23,26)/t20-,22-,25?/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.58E+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