BDBM50088513 CHEMBL3526940

SMILES O[C@H]1[C@H](OC(=O)[C@@H](N2CCc3sccc3C2)c2ccccc2Cl)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O

InChI Key InChIKey=TUBQAJBXTWIXFX-CLCCAKIRSA-N

Data  2 KI

  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 2 hits for monomerid = 50088513   

TargetCytochrome P450 2C8(Homo sapiens (Human))
Celgene

Curated by ChEMBL
LigandPNGBDBM50088513(CHEMBL3526940)
Affinity DataKi:  9.90E+3nMAssay Description:Inhibition of CYP2C8 in human liver microsomes preincubated for 30 mins followed by substrate addition measured after 2 minsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLiver carboxylesterase 1(Homo sapiens (Human))
Eisai

Curated by ChEMBL
LigandPNGBDBM50088513(CHEMBL3526940)
Affinity DataKi:  2.48E+4nMAssay Description:Reversible inhibition of human CES1 assessed as hydrolysis of 4NPA to 4NPMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed