BDBM50538073 CHEMBL4639981

SMILES COc1cc2CCN=C([C@H](C)c3ccc(OC)c(OC)c3O)c2cc1OC

InChI Key InChIKey=MRIXQJHQZAJICE-UHFFFAOYSA-N

Data  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50538073   

TargetLiver carboxylesterase 1(Human)
Peking Union Medical College

Curated by ChEMBL
LigandPNGBDBM50538073(CHEMBL4639981)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human CE1 using D-luciferin methyl ester as substrate preincubated for 10 mins followed by substrate addition and measured after 10 min...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/11/2021
Entry Details Article
PubMed
TargetCocaine esterase(Human)
Peking Union Medical College

Curated by ChEMBL
LigandPNGBDBM50538073(CHEMBL4639981)
Affinity DataIC50: 7.10E+3nMAssay Description:Inhibition of human CE2 using fluorescein diacetate as substrate preincubated for 10 mins followed by substrate addition and measured after 10 mins b...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/11/2021
Entry Details Article
PubMed