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SMILES: CN1CCC=C(C1)c1nsnc1OCCCOCCCCC(=O)NCCCNc1c2CCCCc2nc2ccccc12

InChI Key: InChIKey=OOGJFMGCOJHKAP-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   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 = 50415468   
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))
BDBM50415468
PNG
(CHEMBL590059)
Show SMILES CN1CCC=C(C1)c1nsnc1OCCCOCCCCC(=O)NCCCNc1c2CCCCc2nc2ccccc12 |c:4|
Show InChI InChI=1S/C32H44N6O3S/c1-38-19-8-11-24(23-38)30-32(37-42-36-30)41-22-10-21-40-20-7-6-16-29(39)33-17-9-18-34-31-25-12-2-4-14-27(25)35-28-15-5-3-13-26(28)31/h2,4,11-12,14H,3,5-10,13,15-23H2,1H3,(H,33,39)(H,34,35)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 10.2n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


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


J Med Chem 53: 2094-103 (2010)


Article DOI: 10.1021/jm901616h
BindingDB Entry DOI: 10.7270/Q2KW5H8J
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50415468
PNG
(CHEMBL590059)
Show SMILES CN1CCC=C(C1)c1nsnc1OCCCOCCCCC(=O)NCCCNc1c2CCCCc2nc2ccccc12 |c:4|
Show InChI InChI=1S/C32H44N6O3S/c1-38-19-8-11-24(23-38)30-32(37-42-36-30)41-22-10-21-40-20-7-6-16-29(39)33-17-9-18-34-31-25-12-2-4-14-27(25)35-28-15-5-3-13-26(28)31/h2,4,11-12,14H,3,5-10,13,15-23H2,1H3,(H,33,39)(H,34,35)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.91n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of BChE from equine serum by Ellman's method


J Med Chem 53: 2094-103 (2010)


Article DOI: 10.1021/jm901616h
BindingDB Entry DOI: 10.7270/Q2KW5H8J
More data for this
Ligand-Target Pair