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SMILES: Oc1ccc2C\C(=C/c3ccc(O)c(O)c3)C(=O)c2c1

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 1 hit for monomerid = 50556549   
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
Cocaine esterase


(Homo sapiens (Human))		BDBM50556549
PNG
(CHEMBL4764489)
Show SMILES Oc1ccc2C\C(=C/c3ccc(O)c(O)c3)C(=O)c2c1
NCI pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.81E+3n/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