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SMILES: [Br-].COc1ccc(\C=C\C(=O)Nc2cc[n+](Cc3cccc(F)c3)cc2)cc1OC

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 = 50587755   
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))
BDBM50587755
PNG
(CHEMBL5171929)
Show SMILES [Br-].COc1ccc(\C=C\C(=O)Nc2cc[n+](Cc3cccc(F)c3)cc2)cc1OC
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 19n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113278
BindingDB Entry DOI: 10.7270/Q2PR80XJ
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50587755
PNG
(CHEMBL5171929)
Show SMILES [Br-].COc1ccc(\C=C\C(=O)Nc2cc[n+](Cc3cccc(F)c3)cc2)cc1OC
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.10n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113278
BindingDB Entry DOI: 10.7270/Q2PR80XJ
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50587755
PNG
(CHEMBL5171929)
Show SMILES [Br-].COc1ccc(\C=C\C(=O)Nc2cc[n+](Cc3cccc(F)c3)cc2)cc1OC
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.80n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113278
BindingDB Entry DOI: 10.7270/Q2PR80XJ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50587755
PNG
(CHEMBL5171929)
Show SMILES [Br-].COc1ccc(\C=C\C(=O)Nc2cc[n+](Cc3cccc(F)c3)cc2)cc1OC
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 21n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113278
BindingDB Entry DOI: 10.7270/Q2PR80XJ
More data for this
Ligand-Target Pair