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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50016842'   
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))
BDBM50016842
PNG
(CHEMBL3276427)
Show SMILES [I-].C[n+]1cccc2ccc3ccccc3c12
Show InChI InChI=1S/C14H12N.HI/c1-15-10-4-6-12-9-8-11-5-2-3-7-13(11)14(12)15;/h2-10H,1H3;1H/q+1;/p-1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
1.80E+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 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))
BDBM50016842
PNG
(CHEMBL3276427)
Show SMILES [I-].C[n+]1cccc2ccc3ccccc3c12
Show InChI InChI=1S/C14H12N.HI/c1-15-10-4-6-12-9-8-11-5-2-3-7-13(11)14(12)15;/h2-10H,1H3;1H/q+1;/p-1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
1.40E+5n/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