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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM10500'   
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...)
BDBM10500
PNG
(1-(3-{[(4-amino-5-chloro-2-methylquinolin-3-yl)met...)
Show SMILES Cc1nc2cccc(Cl)c2c(N)c1COCc1cccc(c1)C(=O)C(F)(F)F
Show InChI InChI=1S/C20H16ClF3N2O2/c1-11-14(18(25)17-15(21)6-3-7-16(17)26-11)10-28-9-12-4-2-5-13(8-12)19(27)20(22,23)24/h2-8H,9-10H2,1H3,(H2,25,26)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.10n/an/an/an/a7.822



Syngenta



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 44: 3203-15 (2001)


Article DOI: 10.1128/AAC.00311-07
BindingDB Entry DOI: 10.7270/Q2PC30MT
More data for this
Ligand-Target Pair