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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50281125'   
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...)
BDBM50281125
PNG
(2,2,2-Trifluoro-1-m-tolyl-ethanone | CHEMBL86868)
Show SMILES Cc1cccc(c1)C(=O)C(F)(F)F
Show InChI InChI=1S/C9H7F3O/c1-6-3-2-4-7(5-6)8(13)9(10,11)12/h2-5H,1H3
PDB
MMDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Patents

Article
2.40n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for the ability to inhibit Acetylcholinesterase (AChE) from Torpedo californica


Bioorg Med Chem Lett 3: 2619-2622 (1993)


Article DOI: 10.1016/S0960-894X(01)80727-7
BindingDB Entry DOI: 10.7270/Q2VX0GF9
More data for this
Ligand-Target Pair