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BDBM50306345 4-(5,6,7,8-Tetrahydro-2-naphthalenyl)-4-oxo-N-phenyl-2-(R,S)-(1-imidazolyl)butyramide::CHEMBL598314

SMILES: O=C(Nc1ccccc1)C(CC(=O)c1ccc2CCCCc2c1)n1ccnc1

InChI Key: InChIKey=FLRUUDJQRMIWHO-UHFFFAOYSA-N

Data: 2 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50306345   
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))
BDBM50306345
PNG
(4-(5,6,7,8-Tetrahydro-2-naphthalenyl)-4-oxo-N-phen...)
Show SMILES O=C(Nc1ccccc1)C(CC(=O)c1ccc2CCCCc2c1)n1ccnc1
Show InChI InChI=1S/C23H23N3O2/c27-22(19-11-10-17-6-4-5-7-18(17)14-19)15-21(26-13-12-24-16-26)23(28)25-20-8-2-1-3-9-20/h1-3,8-14,16,21H,4-7,15H2,(H,25,28)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.34E+6n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE


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
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50306345
PNG
(4-(5,6,7,8-Tetrahydro-2-naphthalenyl)-4-oxo-N-phen...)
Show SMILES O=C(Nc1ccccc1)C(CC(=O)c1ccc2CCCCc2c1)n1ccnc1
Show InChI InChI=1S/C23H23N3O2/c27-22(19-11-10-17-6-4-5-7-18(17)14-19)15-21(26-13-12-24-16-26)23(28)25-20-8-2-1-3-9-20/h1-3,8-14,16,21H,4-7,15H2,(H,25,28)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.34E+3n/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