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BDBM50435258 CHEMBL2392940

SMILES: Cc1c(OCCCCCCN2CCCC2)ccc2c1oc(cc2=O)-c1ccccc1

InChI Key: InChIKey=CEZZKAHZNNVPOC-UHFFFAOYSA-N

Data: 2 IC50

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 = 50435258   
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))
BDBM50435258
PNG
(CHEMBL2392940)
Show SMILES Cc1c(OCCCCCCN2CCCC2)ccc2c1oc(cc2=O)-c1ccccc1
Show InChI InChI=1S/C26H31NO3/c1-20-24(29-18-10-3-2-7-15-27-16-8-9-17-27)14-13-22-23(28)19-25(30-26(20)22)21-11-5-4-6-12-21/h4-6,11-14,19H,2-3,7-10,15-18H2,1H3
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 764n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate incubated for 6 mins prior to substrate addition measured after 60 to 180...


Bioorg Med Chem Lett 23: 2636-41 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.095
BindingDB Entry DOI: 10.7270/Q2571DD9
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50435258
PNG
(CHEMBL2392940)
Show SMILES Cc1c(OCCCCCCN2CCCC2)ccc2c1oc(cc2=O)-c1ccccc1
Show InChI InChI=1S/C26H31NO3/c1-20-24(29-18-10-3-2-7-15-27-16-8-9-17-27)14-13-22-23(28)19-25(30-26(20)22)21-11-5-4-6-12-21/h4-6,11-14,19H,2-3,7-10,15-18H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.28E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using S-butyrylthiocholine iodide as substrate incubated for 6 mins prior to substrate addition measured after 60 to...


Bioorg Med Chem Lett 23: 2636-41 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.095
BindingDB Entry DOI: 10.7270/Q2571DD9
More data for this
Ligand-Target Pair