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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50016827'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50016827
PNG
(CHEMBL3276417)
Show SMILES [Br-].C(c1ccccc1)[n+]1cc2ccccc2c2ccccc12
Show InChI InChI=1S/C20H16N.BrH/c1-2-8-16(9-3-1)14-21-15-17-10-4-5-11-18(17)19-12-6-7-13-20(19)21;/h1-13,15H,14H2;1H/q+1;/p-1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
250n/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))
BDBM50016827
PNG
(CHEMBL3276417)
Show SMILES [Br-].C(c1ccccc1)[n+]1cc2ccccc2c2ccccc12
Show InChI InChI=1S/C20H16N.BrH/c1-2-8-16(9-3-1)14-21-15-17-10-4-5-11-18(17)19-12-6-7-13-20(19)21;/h1-13,15H,14H2;1H/q+1;/p-1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
950n/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