BDBM50223251 CHEMBL401323::trans-1-(4-chlorophenylsulfonyl)-6-ethyl-4-hydroxypiperidin-2-yl)methyl 4-(2-hydroxyethyl)piperazine-1-carboxylate

SMILES CC[C@@H]1C[C@@H](O)C[C@H](COC(=O)N2CCN(CCO)CC2)N1S(=O)(=O)c1ccc(Cl)cc1

InChI Key InChIKey=VIYNQEBUNVSDPK-GUDVDZBRSA-N

Data  1 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 1 hit for monomerid = 50223251   

TargetCytochrome P450 3A4(Homo sapiens (Human))
Schering-Plough Research Institute

Curated by ChEMBL
LigandPNGBDBM50223251(CHEMBL401323 | trans-1-(4-chlorophenylsulfonyl)-6-...)
Affinity DataIC50:  3.00E+4nMAssay Description:Inhibition of CYP3A4 after 30 minsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed