BDBM50192313 CHEMBL3946313::US10239870, Example 174

SMILES Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1-c1cccnc1C(F)(F)F

InChI Key InChIKey=DVUOLXOWKHDIAV-XXBNENTESA-N

Data  4 KI  6 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 = 50192313   

TargetCytochrome P450 3A4(Homo sapiens (Human))
Aptuit

Curated by ChEMBL
LigandPNGBDBM50192313(CHEMBL3946313 | US10239870, Example 174)
Affinity DataIC50: >6.00E+3nMAssay Description:Inhibition of human CYP3A4 expressed in microsomes using DEF as substrate after 10 mins by P450 cypex assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed