BindingDB logo
myBDB logout

null

SMILES: [Cl-].Cc1cccc(C[n+]2ccc(Cn3c4ccccc4c4ccccc34)cc2)c1

InChI Key: InChIKey=VNAIWEVOYRWURX-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50464020   
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))
BDBM50464020
PNG
(CHEMBL4243151)
Show SMILES [Cl-].Cc1cccc(C[n+]2ccc(Cn3c4ccccc4c4ccccc34)cc2)c1
Show InChI InChI=1S/C26H23N2/c1-20-7-6-8-22(17-20)18-27-15-13-21(14-16-27)19-28-25-11-4-2-9-23(25)24-10-3-5-12-26(24)28/h2-17H,18-19H2,1H3/q+1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.75E+4n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured for 5 mi...


Bioorg Med Chem 26: 4952-4962 (2018)


Article DOI: 10.1016/j.bmc.2018.08.035
BindingDB Entry DOI: 10.7270/Q2NS0XJS
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50464020
PNG
(CHEMBL4243151)
Show SMILES [Cl-].Cc1cccc(C[n+]2ccc(Cn3c4ccccc4c4ccccc34)cc2)c1
Show InChI InChI=1S/C26H23N2/c1-20-7-6-8-22(17-20)18-27-15-13-21(14-16-27)19-28-25-11-4-2-9-23(25)24-10-3-5-12-26(24)28/h2-17H,18-19H2,1H3/q+1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 730n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured for 5 ...


Bioorg Med Chem 26: 4952-4962 (2018)


Article DOI: 10.1016/j.bmc.2018.08.035
BindingDB Entry DOI: 10.7270/Q2NS0XJS
More data for this
Ligand-Target Pair