BDBM50330016 ((3R,5R)-4-(4-chlorophenylsulfonyl)-5-(1-methylcyclopropyl)morpholin-3-yl)methyl 4-(1-hydroxy-2-methylpropan-2-yl)piperazine-1-carboxylate::CHEMBL1271822

SMILES CC(C)(CO)N1CCN(CC1)C(=O)OC[C@H]1COC[C@H](N1S(=O)(=O)c1ccc(Cl)cc1)C1(C)CC1

InChI Key InChIKey=MBQIBPDSTIZHQM-CTNGQTDRSA-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 = 50330016   

TargetCytochrome P450 3A4(Homo sapiens (Human))
Merck Research Lab.

Curated by ChEMBL
LigandPNGBDBM50330016(((3R,5R)-4-(4-chlorophenylsulfonyl)-5-(1-methylcyc...)
Affinity DataIC50:  0.5nMAssay Description:Inhibition of CYP3A4 after 30 minsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed