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BDBM50280247 1-Carbamoylmethyl-4-((E)-2-naphthalen-1-yl-vinyl)-pyridinium; chloride::CHEMBL278327::CHEMBL37827

SMILES: NC(=O)C[n+]1ccc(\C=C\c2cccc3ccccc23)cc1

InChI Key: InChIKey=DPVMWDHQVSBESE-CMDGGOBGSA-O

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50280247   
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
Choline acetylase


(Gallus gallus)
BDBM50280247
PNG
(1-Carbamoylmethyl-4-((E)-2-naphthalen-1-yl-vinyl)-...)
Show SMILES NC(=O)C[n+]1ccc(\C=C\c2cccc3ccccc23)cc1
Show InChI InChI=1S/C19H16N2O/c20-19(22)14-21-12-10-15(11-13-21)8-9-17-6-3-5-16-4-1-2-7-18(16)17/h1-13H,14H2,(H-,20,22)/p+1/b9-8+
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
n/an/a 3.70E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested in vitro for inhibitory activity against chick optic lobe choline acetyltransferase (ChAT)


Bioorg Med Chem Lett 2: 1493-1496 (1992)


Article DOI: 10.1016/S0960-894X(00)80415-1
BindingDB Entry DOI: 10.7270/Q2QN66PD
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50280247
PNG
(1-Carbamoylmethyl-4-((E)-2-naphthalen-1-yl-vinyl)-...)
Show SMILES NC(=O)C[n+]1ccc(\C=C\c2cccc3ccccc23)cc1
Show InChI InChI=1S/C19H16N2O/c20-19(22)14-21-12-10-15(11-13-21)8-9-17-6-3-5-16-4-1-2-7-18(16)17/h1-13H,14H2,(H-,20,22)/p+1/b9-8+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 8.00E+4n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase (AChE) activity


J Med Chem 31: 117-21 (1988)


BindingDB Entry DOI: 10.7270/Q2XD12VJ
More data for this
Ligand-Target Pair
Choline Acetyltransferase


(RAT)
BDBM50280247
PNG
(1-Carbamoylmethyl-4-((E)-2-naphthalen-1-yl-vinyl)-...)
Show SMILES NC(=O)C[n+]1ccc(\C=C\c2cccc3ccccc23)cc1
Show InChI InChI=1S/C19H16N2O/c20-19(22)14-21-12-10-15(11-13-21)8-9-17-6-3-5-16-4-1-2-7-18(16)17/h1-13H,14H2,(H-,20,22)/p+1/b9-8+
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 270n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of choline acetyltransferase (ChAT) activity


J Med Chem 31: 117-21 (1988)


BindingDB Entry DOI: 10.7270/Q2XD12VJ
More data for this
Ligand-Target Pair