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SMILES: COc1ccc(cc1)C(=O)CC(N1CCCCC1)C(=O)Nc1ccccc1

InChI Key: InChIKey=WAVWZXOIGCOVHU-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50306343   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50306343
PNG
(4-(4-Metoxyphenyl)-4-oxo-N-phenyl-2-(R,S)-(1-piper...)
Show SMILES COc1ccc(cc1)C(=O)CC(N1CCCCC1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C22H26N2O3/c1-27-19-12-10-17(11-13-19)21(25)16-20(24-14-6-3-7-15-24)22(26)23-18-8-4-2-5-9-18/h2,4-5,8-13,20H,3,6-7,14-16H2,1H3,(H,23,26)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by Ellman's method


Bioorg Med Chem 18: 1181-93 (2010)


Article DOI: 10.1016/j.bmc.2009.12.042
BindingDB Entry DOI: 10.7270/Q2ZW1M1J
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50306343
PNG
(4-(4-Metoxyphenyl)-4-oxo-N-phenyl-2-(R,S)-(1-piper...)
Show SMILES COc1ccc(cc1)C(=O)CC(N1CCCCC1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C22H26N2O3/c1-27-19-12-10-17(11-13-19)21(25)16-20(24-14-6-3-7-15-24)22(26)23-18-8-4-2-5-9-18/h2,4-5,8-13,20H,3,6-7,14-16H2,1H3,(H,23,26)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>4.00E+4n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of horse serum BChE by Ellman's method


Bioorg Med Chem 18: 1181-93 (2010)


Article DOI: 10.1016/j.bmc.2009.12.042
BindingDB Entry DOI: 10.7270/Q2ZW1M1J
More data for this
Ligand-Target Pair