BDBM50330022 (3S,5R)-1-((3R,5R)-4-(4-chlorophenylsulfonyl)-5-(cyclopropylmethyl)morpholin-3-yl)cyclopropyl 4-(2-hydroxyethyl)-3,5-dimethylpiperazine-1-carboxylate::CHEMBL1272046

SMILES C[C@H]1CN(C[C@@H](C)N1CCO)C(=O)OC1(CC1)[C@H]1COC[C@@H](CC2CC2)N1S(=O)(=O)c1ccc(Cl)cc1

InChI Key InChIKey=LKJNOKVJAZHRAT-OMXLDXBASA-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 = 50330022   

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

Curated by ChEMBL
LigandPNGBDBM50330022((3S,5R)-1-((3R,5R)-4-(4-chlorophenylsulfonyl)-5-(c...)
Affinity DataIC50:  2nMAssay Description:Inhibition of CYP3A4 after 30 minsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed