BindingDB logo
myBDB logout

BDBM50357945 CHEMBL1916770

SMILES: Cc1ccc(cc1)-c1cc2c(N)c3CCCCc3nc2o1

InChI Key: InChIKey=WBYXOCICGJQRPO-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50357945   
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))
BDBM50357945
PNG
(CHEMBL1916770)
Show SMILES Cc1ccc(cc1)-c1cc2c(N)c3CCCCc3nc2o1
Show InChI InChI=1S/C18H18N2O/c1-11-6-8-12(9-7-11)16-10-14-17(19)13-4-2-3-5-15(13)20-18(14)21-16/h6-10H,2-5H2,1H3,(H2,19,20)
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University of Lisbon

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate preincubated for 10 mins before substrate addition by Ellman'...


Eur J Med Chem 46: 6119-30 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.038
BindingDB Entry DOI: 10.7270/Q27M08BS
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50357945
PNG
(CHEMBL1916770)
Show SMILES Cc1ccc(cc1)-c1cc2c(N)c3CCCCc3nc2o1
Show InChI InChI=1S/C18H18N2O/c1-11-6-8-12(9-7-11)16-10-14-17(19)13-4-2-3-5-15(13)20-18(14)21-16/h6-10H,2-5H2,1H3,(H2,19,20)
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.19E+5n/an/an/an/an/an/a



University of Lisbon

Curated by ChEMBL


Assay Description
Inhibition of human serum BuChE using butyrylthiocholine as substrate by Ellman's assay


Eur J Med Chem 46: 6119-30 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.038
BindingDB Entry DOI: 10.7270/Q27M08BS
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50357945
PNG
(CHEMBL1916770)
Show SMILES Cc1ccc(cc1)-c1cc2c(N)c3CCCCc3nc2o1
Show InChI InChI=1S/C18H18N2O/c1-11-6-8-12(9-7-11)16-10-14-17(19)13-4-2-3-5-15(13)20-18(14)21-16/h6-10H,2-5H2,1H3,(H2,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University of Lisbon

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine as substrate by Ellman's assay


Eur J Med Chem 46: 6119-30 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.038
BindingDB Entry DOI: 10.7270/Q27M08BS
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50357945
PNG
(CHEMBL1916770)
Show SMILES Cc1ccc(cc1)-c1cc2c(N)c3CCCCc3nc2o1
Show InChI InChI=1S/C18H18N2O/c1-11-6-8-12(9-7-11)16-10-14-17(19)13-4-2-3-5-15(13)20-18(14)21-16/h6-10H,2-5H2,1H3,(H2,19,20)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.90E+3n/an/an/an/an/an/a



University of Lisbon

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butylthiocholine iodide as substrate preincubated for 10 mins before substrate addition by Ellman's method


Eur J Med Chem 46: 6119-30 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.038
BindingDB Entry DOI: 10.7270/Q27M08BS
More data for this
Ligand-Target Pair