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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50555837'   
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
Cholinesterase


(Homo sapiens (Human))
BDBM50555837
PNG
(CHEMBL4747577)
Show SMILES [Br-].COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OCc1ccc2ccccc2c1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
8.30n/an/an/an/an/an/an/an/a


TBA

Assay Description
Mixed inhibition of human butyrylcholinesterase assessed as affinity towards free enzyme using butyrylthiocholine iodide as substrate measured by Ell...


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))
BDBM50555837
PNG
(CHEMBL4747577)
Show SMILES [Br-].COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OCc1ccc2ccccc2c1
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
76n/an/an/an/an/an/an/an/a


TBA

Assay Description
Mixed inhibition of human butyrylcholinesterase assessed as affinity towards enzyme-substrate complex using butyrylthiocholine iodide as substrate me...


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))
BDBM50555837
PNG
(CHEMBL4747577)
Show SMILES [Br-].COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OCc1ccc2ccccc2c1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.26E+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