BDBM50330024 (2S,5R)-1-((3R,5R)-4-(4-chlorophenylsulfonyl)-5-(cyclopropylmethyl)morpholin-3-yl)cyclopropyl 4-acetyl-2-ethyl-5-methylpiperazine-1-carboxylate::CHEMBL1272098

SMILES CC[C@H]1CN([C@H](C)CN1C(=O)OC1(CC1)[C@H]1COC[C@@H](CC2CC2)N1S(=O)(=O)c1ccc(Cl)cc1)C(C)=O

InChI Key InChIKey=FYBUXXZDXWUPPE-ZQJMJJNQSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50330024   

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

Curated by ChEMBL
LigandPNGBDBM50330024((2S,5R)-1-((3R,5R)-4-(4-chlorophenylsulfonyl)-5-(c...)
Affinity DataIC50: >30nMAssay Description:Inhibition of CYP3A4 after 30 minsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed