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SMILES: [Br-].COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OCc1ccc(cc1)C(F)(F)F

InChI Key:

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 = 50555835   
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))
BDBM50555835
PNG
(CHEMBL4752175)
Show SMILES [Br-].COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OCc1ccc(cc1)C(F)(F)F
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.456n/an/an/an/an/an/an/an/a


TBA

Assay Description
Noncompetitive inhibition of human acetylcholinesterase assessed as affinity towards free enzyme using acetylthiocholine iodide as substrate measured...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112593
BindingDB Entry DOI: 10.7270/Q2HH6PQD
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50555835
PNG
(CHEMBL4752175)
Show SMILES [Br-].COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OCc1ccc(cc1)C(F)(F)F
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.40E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human butyrylcholinesterase in plasma using butyrylthiocholineiodide as substrate preincubated with enzyme for 5 mins followed by subst...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112593
BindingDB Entry DOI: 10.7270/Q2HH6PQD
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM50555835
PNG
(CHEMBL4752175)
Show SMILES [Br-].COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OCc1ccc(cc1)C(F)(F)F
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.74E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human Prolyl oligopeptidase expressed in Escherichia coli expression system using (Z)-Gly-Pro-p-nitroanilide as substrate p...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112593
BindingDB Entry DOI: 10.7270/Q2HH6PQD
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50555835
PNG
(CHEMBL4752175)
Show SMILES [Br-].COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OCc1ccc(cc1)C(F)(F)F
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.30E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human acetylcholinesterase using acetylthiocholine iodide as substrate preincubated with enzyme for 5 mins followed by subs...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112593
BindingDB Entry DOI: 10.7270/Q2HH6PQD
More data for this
Ligand-Target Pair