BDBM50538068 CHEMBL4649358

SMILES COc1cc2CCN(C=O)[C@@]3(Oc4c(ccc(OC)c4OC)[C@@]3(C)O)c2cc1OC

InChI Key InChIKey=ISIFDIITECFTMI-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50538068   

TargetLiver carboxylesterase 1(Human)
Peking Union Medical College

Curated by ChEMBL
LigandPNGBDBM50538068(CHEMBL4649358)
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