BDBM50538076 CHEMBL4637953

SMILES COc1ccc2c(C[n+]3ccc4cc(OC)c(OC)cc4c3[C@@]2(C)O)c1OC

InChI Key InChIKey=JJMIHADXEBJJTB-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 50538076   

TargetLiver carboxylesterase 1(Human)
Peking Union Medical College

Curated by ChEMBL
LigandPNGBDBM50538076(CHEMBL4637953)
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
LigandPNGBDBM50538076(CHEMBL4637953)
Affinity DataIC50: 4.60E+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