BDBM50223239 CHEMBL249085::trans-1-(4-chlorophenylsulfonyl)-6-ethyl-4-methoxypiperidin-2-yl)methyl 4-(2-hydroxyethyl)piperazine-1-carboxylate

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

InChI Key InChIKey=AVESOBXGFYHSSH-VAMGGRTRSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50223239   

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

Curated by ChEMBL
LigandPNGBDBM50223239(CHEMBL249085 | trans-1-(4-chlorophenylsulfonyl)-6-...)
Affinity DataIC50:  1.01E+4nMAssay Description:Inhibition of CYP3A4 after 30 minsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed