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SMILES: C[N+]1(CCC(=O)Nc2ccc3nc4c5[nH]c6ccccc6c5ccn4c(=O)c3c2)CCCC1

InChI Key: InChIKey=BDUDWPYTOJWNKS-UHFFFAOYSA-O

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 = 50433006   
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))
BDBM50433006
PNG
(CHEMBL2375935)
Show SMILES C[N+]1(CCC(=O)Nc2ccc3nc4c5[nH]c6ccccc6c5ccn4c(=O)c3c2)CCCC1
Show InChI InChI=1S/C26H25N5O2/c1-31(13-4-5-14-31)15-11-23(32)27-17-8-9-22-20(16-17)26(33)30-12-10-19-18-6-2-3-7-21(18)28-24(19)25(30)29-22/h2-3,6-10,12,16H,4-5,11,13-15H2,1H3,(H-,27,28,29,32,33)/p+1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 137n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel acetylcholinesterase using acetylthiocholine as substrate incubated for 15 mins followed by substrate addition measured fo...


Eur J Med Chem 63: 299-312 (2013)


Article DOI: 10.1016/j.ejmech.2013.02.014
BindingDB Entry DOI: 10.7270/Q2SQ91RP
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50433006
PNG
(CHEMBL2375935)
Show SMILES C[N+]1(CCC(=O)Nc2ccc3nc4c5[nH]c6ccccc6c5ccn4c(=O)c3c2)CCCC1
Show InChI InChI=1S/C26H25N5O2/c1-31(13-4-5-14-31)15-11-23(32)27-17-8-9-22-20(16-17)26(33)30-12-10-19-18-6-2-3-7-21(18)28-24(19)25(30)29-22/h2-3,6-10,12,16H,4-5,11,13-15H2,1H3,(H-,27,28,29,32,33)/p+1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.71E+4n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of horse serum butyrylcholinesterase using butylthiocholine as substrate incubated for 15 mins followed by substrate addition measured for...


Eur J Med Chem 63: 299-312 (2013)


Article DOI: 10.1016/j.ejmech.2013.02.014
BindingDB Entry DOI: 10.7270/Q2SQ91RP
More data for this
Ligand-Target Pair