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SMILES: CCN(CCCCOc1ccc(C(=O)\C=C\c2ccc(cc2)N(C)C)c(O)c1)Cc1ccccc1N(C)C

InChI Key:

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 7 hits for monomerid = 50569012   
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))
BDBM50569012
PNG
(CHEMBL4865817)
Show SMILES CCN(CCCCOc1ccc(C(=O)\C=C\c2ccc(cc2)N(C)C)c(O)c1)Cc1ccccc1N(C)C
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
500n/an/an/an/an/an/an/an/a


TBA

Assay Description
Mixed type inhibition of electric eel AChE by reciprocal Lineweaver-Burk plot analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113310
BindingDB Entry DOI: 10.7270/Q28G8QGX
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50569012
PNG
(CHEMBL4865817)
Show SMILES CCN(CCCCOc1ccc(C(=O)\C=C\c2ccc(cc2)N(C)C)c(O)c1)Cc1ccccc1N(C)C
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 130n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rat cortex homogenate acetylcholinesterase by Ellman's method


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113310
BindingDB Entry DOI: 10.7270/Q28G8QGX
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Rattus norvegicus (rat))
BDBM50569012
PNG
(CHEMBL4865817)
Show SMILES CCN(CCCCOc1ccc(C(=O)\C=C\c2ccc(cc2)N(C)C)c(O)c1)Cc1ccccc1N(C)C
Reactome pathway
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.36E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rat serum BuChE by Ellman's method


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113310
BindingDB Entry DOI: 10.7270/Q28G8QGX
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50569012
PNG
(CHEMBL4865817)
Show SMILES CCN(CCCCOc1ccc(C(=O)\C=C\c2ccc(cc2)N(C)C)c(O)c1)Cc1ccccc1N(C)C
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.84E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant MAO-A by multimode plate reader assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113310
BindingDB Entry DOI: 10.7270/Q28G8QGX
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50569012
PNG
(CHEMBL4865817)
Show SMILES CCN(CCCCOc1ccc(C(=O)\C=C\c2ccc(cc2)N(C)C)c(O)c1)Cc1ccccc1N(C)C
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant MAO-B by multimode plate reader assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113310
BindingDB Entry DOI: 10.7270/Q28G8QGX
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50569012
PNG
(CHEMBL4865817)
Show SMILES CCN(CCCCOc1ccc(C(=O)\C=C\c2ccc(cc2)N(C)C)c(O)c1)Cc1ccccc1N(C)C
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 880n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of self-induced amyloid beta (1 to 42) (unknown origin) aggregation by T-fluorescence assay relative to control


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113310
BindingDB Entry DOI: 10.7270/Q28G8QGX
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50569012
PNG
(CHEMBL4865817)
Show SMILES CCN(CCCCOc1ccc(C(=O)\C=C\c2ccc(cc2)N(C)C)c(O)c1)Cc1ccccc1N(C)C
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 690n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate by Ellman's method


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113310
BindingDB Entry DOI: 10.7270/Q28G8QGX
More data for this
Ligand-Target Pair