BDBM50192023 CHEMBL3950254::US10239870, Example 184

SMILES Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1-c1ccc(nc1)C(N)=O

InChI Key InChIKey=PQHIRTDXFUZNBI-DVECYGJZSA-N

Data  8 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 = 50192023   

TargetCytochrome P450 2C9(Homo sapiens (Human))
Aptuit

Curated by ChEMBL
LigandPNGBDBM50192023(CHEMBL3950254 | US10239870, Example 184)
Affinity DataIC50: >1.70E+4nMAssay Description:Inhibition of human CYP2C9 expressed in microsomes using FCA as substrate after 10 mins by P450 cypex assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed