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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Cocaine esterase' and Ligand = 'BDBM50552232'   
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
Cocaine esterase


(Homo sapiens (Human))
BDBM50552232
PNG
(CHEMBL4776624)
Show SMILES COc1cc(\C=C2/Cc3ccc(cc3C2=O)N2CCCC2)ccc1O
NCI pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
68n/an/an/an/an/an/an/an/a


TBA

Assay Description
Mixed inhibition of hCES2A in human liver microsome assessed as reduction in fluorescein diacetate hydrolysis preincubated for 10 mins followed by su...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112856
BindingDB Entry DOI: 10.7270/Q2NZ8CB7
More data for this
Ligand-Target Pair
Cocaine esterase


(Homo sapiens (Human))
BDBM50552232
PNG
(CHEMBL4776624)
Show SMILES COc1cc(\C=C2/Cc3ccc(cc3C2=O)N2CCCC2)ccc1O
NCI pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 52n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of hCES2A in human liver microsome assessed as reduction in fluorescein diacetate hydrolysis preincubated for 10 mins followed by substrat...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112856
BindingDB Entry DOI: 10.7270/Q2NZ8CB7
More data for this
Ligand-Target Pair
Cocaine esterase


(Homo sapiens (Human))
BDBM50552232
PNG
(CHEMBL4776624)
Show SMILES COc1cc(\C=C2/Cc3ccc(cc3C2=O)N2CCCC2)ccc1O
NCI pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.45E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of hCES2A in human HepG2 cells assessed as reduction in fluorogenic substrate NCEN hydrolysis preincubated for 1 hr followed by substrate ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112856
BindingDB Entry DOI: 10.7270/Q2NZ8CB7
More data for this
Ligand-Target Pair