BDBM50088512 CHEBI:59609::CHEMBL3527338

SMILES O[C@@H]1[C@@H](O)[C@H](OC(=O)Cc2ccccc2Nc2c(Cl)cccc2Cl)O[C@@H]([C@H]1O)C(O)=O

InChI Key InChIKey=JXIKYYSIYCILNG-UHFFFAOYSA-N

Data  1 KI  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50088512   

TargetLiver carboxylesterase 1(Human)
Eisai

Curated by ChEMBL
LigandPNGBDBM50088512(CHEMBL3527338 | CHEBI:59609)
Affinity DataIC50: 2.27E+3nMAssay Description:Time-dependent inhibition of human CES1 assessed as hydrolysis of 4NPA to 4NP preincubated for 60 mins followed by 4NPA additionMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/8/2016
Entry Details Article
PubMed
TargetLiver carboxylesterase 1(Human)
Eisai

Curated by ChEMBL
LigandPNGBDBM50088512(CHEMBL3527338 | CHEBI:59609)
Affinity DataIC50: 1.96E+3nMAssay Description:Time-dependent inhibition of human CES1 assessed as hydrolysis of 4NPA to 4NP preincubated for 30 mins followed by 4NPA additionMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/8/2016
Entry Details Article
PubMed
TargetLiver carboxylesterase 1(Human)
Eisai

Curated by ChEMBL
LigandPNGBDBM50088512(CHEMBL3527338 | CHEBI:59609)
Affinity DataIC50: 2.51E+3nMAssay Description:Time-dependent inhibition of human CES1 assessed as hydrolysis of 4NPA to 4NP preincubated for 10 mins followed by 4NPA additionMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/8/2016
Entry Details Article
PubMed
TargetLiver carboxylesterase 1(Human)
Eisai

Curated by ChEMBL
LigandPNGBDBM50088512(CHEMBL3527338 | CHEBI:59609)
Affinity DataKi:  4.32E+3nMAssay Description:Reversible inhibition of human CES1 assessed as hydrolysis of 4NPA to 4NPMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/8/2016
Entry Details Article
PubMed