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SMILES: [Br-].[Br-].C(CCC[n+]1cccc2c1ccc1ccccc21)CC[n+]1cccc2c1ccc1ccccc21

InChI Key: InChIKey=QEJLYOXACMXFBS-UHFFFAOYSA-L

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 = 50016850   
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))
BDBM50016850
PNG
(CHEMBL3276411)
Show SMILES [Br-].[Br-].C(CCC[n+]1cccc2c1ccc1ccccc21)CC[n+]1cccc2c1ccc1ccccc21
Show InChI InChI=1S/C32H30N2.2BrH/c1(7-21-33-23-9-15-29-27-13-5-3-11-25(27)17-19-31(29)33)2-8-22-34-24-10-16-30-28-14-6-4-12-26(28)18-20-32(30)34;;/h3-6,9-20,23-24H,1-2,7-8,21-22H2;2*1H/q+2;;/p-2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
10n/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)


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


(Electrophorus electricus (Electric eel))
BDBM50016850
PNG
(CHEMBL3276411)
Show SMILES [Br-].[Br-].C(CCC[n+]1cccc2c1ccc1ccccc21)CC[n+]1cccc2c1ccc1ccccc21
Show InChI InChI=1S/C32H30N2.2BrH/c1(7-21-33-23-9-15-29-27-13-5-3-11-25(27)17-19-31(29)33)2-8-22-34-24-10-16-30-28-14-6-4-12-26(28)18-20-32(30)34;;/h3-6,9-20,23-24H,1-2,7-8,21-22H2;2*1H/q+2;;/p-2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
72n/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)


BindingDB Entry DOI: 10.7270/Q29025BQ
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM50016850
PNG
(CHEMBL3276411)
Show SMILES [Br-].[Br-].C(CCC[n+]1cccc2c1ccc1ccccc21)CC[n+]1cccc2c1ccc1ccccc21
Show InChI InChI=1S/C32H30N2.2BrH/c1(7-21-33-23-9-15-29-27-13-5-3-11-25(27)17-19-31(29)33)2-8-22-34-24-10-16-30-28-14-6-4-12-26(28)18-20-32(30)34;;/h3-6,9-20,23-24H,1-2,7-8,21-22H2;2*1H/q+2;;/p-2
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
360n/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)


BindingDB Entry DOI: 10.7270/Q29025BQ
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM50016850
PNG
(CHEMBL3276411)
Show SMILES [Br-].[Br-].C(CCC[n+]1cccc2c1ccc1ccccc21)CC[n+]1cccc2c1ccc1ccccc21
Show InChI InChI=1S/C32H30N2.2BrH/c1(7-21-33-23-9-15-29-27-13-5-3-11-25(27)17-19-31(29)33)2-8-22-34-24-10-16-30-28-14-6-4-12-26(28)18-20-32(30)34;;/h3-6,9-20,23-24H,1-2,7-8,21-22H2;2*1H/q+2;;/p-2
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
1.50E+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)


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