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SMILES: OC(=O)c1c(O)cccc1CCCCCCCCNc1c2CCCCc2nc2ccccc12

InChI Key:

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50587065   
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


(Homo sapiens (Human))
BDBM50587065
PNG
(CHEMBL5087646)
Show SMILES OC(=O)c1c(O)cccc1CCCCCCCCNc1c2CCCCc2nc2ccccc12
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 184n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition by Ellman's ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00048
BindingDB Entry DOI: 10.7270/Q24F1VNK
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50587065
PNG
(CHEMBL5087646)
Show SMILES OC(=O)c1c(O)cccc1CCCCCCCCNc1c2CCCCc2nc2ccccc12
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 11n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human serum BChE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition by Ellman's metho...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00048
BindingDB Entry DOI: 10.7270/Q24F1VNK
More data for this
Ligand-Target Pair