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BDBM50016856 CHEMBL3276414

SMILES: [Br-].CCC[n+]1cc2ccccc2c2ccccc12

InChI Key: InChIKey=AJFRBSNUDFHDTQ-UHFFFAOYSA-M

Data: 4 KI

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 = 50016856   
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
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM50016856
PNG
(CHEMBL3276414)
Show SMILES [Br-].CCC[n+]1cc2ccccc2c2ccccc12
Show InChI InChI=1S/C16H16N.BrH/c1-2-11-17-12-13-7-3-4-8-14(13)15-9-5-6-10-16(15)17;/h3-10,12H,2,11H2,1H3;1H/q+1;/p-1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.30E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Reversible mixed-type inhibition of horse serum butyrylcholinesterase using acetylcholine bromide as substrate assessed as free enzyme-inhibitor comp...


J Med Chem 20: 1617-23 (1978)


Article DOI: 10.1021/jm00222a016
BindingDB Entry DOI: 10.7270/Q29025BQ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50016856
PNG
(CHEMBL3276414)
Show SMILES [Br-].CCC[n+]1cc2ccccc2c2ccccc12
Show InChI InChI=1S/C16H16N.BrH/c1-2-11-17-12-13-7-3-4-8-14(13)15-9-5-6-10-16(15)17;/h3-10,12H,2,11H2,1H3;1H/q+1;/p-1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.20E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Reversible mixed-type inhibition of electric eel acetylcholinesterase using acetylcholine bromide as substrate assessed as free enzyme-inhibitor comp...


J Med Chem 20: 1617-23 (1978)


Article DOI: 10.1021/jm00222a016
BindingDB Entry DOI: 10.7270/Q29025BQ
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM50016856
PNG
(CHEMBL3276414)
Show SMILES [Br-].CCC[n+]1cc2ccccc2c2ccccc12
Show InChI InChI=1S/C16H16N.BrH/c1-2-11-17-12-13-7-3-4-8-14(13)15-9-5-6-10-16(15)17;/h3-10,12H,2,11H2,1H3;1H/q+1;/p-1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
7.50E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Reversible mixed-type inhibition of horse serum butyrylcholinesterase using acetylcholine bromide as substrate by Lineweaver-Burk plot analysis


J Med Chem 20: 1617-23 (1978)


Article DOI: 10.1021/jm00222a016
BindingDB Entry DOI: 10.7270/Q29025BQ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50016856
PNG
(CHEMBL3276414)
Show SMILES [Br-].CCC[n+]1cc2ccccc2c2ccccc12
Show InChI InChI=1S/C16H16N.BrH/c1-2-11-17-12-13-7-3-4-8-14(13)15-9-5-6-10-16(15)17;/h3-10,12H,2,11H2,1H3;1H/q+1;/p-1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.36E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Reversible mixed-type inhibition of electric eel acetylcholinesterase using acetylcholine bromide as substrate by Lineweaver-Burk plot analysis


J Med Chem 20: 1617-23 (1978)


Article DOI: 10.1021/jm00222a016
BindingDB Entry DOI: 10.7270/Q29025BQ
More data for this
Ligand-Target Pair