BDBM50192317 CHEMBL3899125::US10239870, Example 281

SMILES Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1-c1ccc(cc1)C(N)=O

InChI Key InChIKey=DGRHJZMAQQIHDX-BWKNWUBXSA-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 = 50192317   

TargetCytochrome P450 2C19(Homo sapiens (Human))
Aptuit

Curated by ChEMBL
LigandPNGBDBM50192317(CHEMBL3899125 | US10239870, Example 281)
Affinity DataIC50: >5.00E+3nMAssay Description:Inhibition of human CYP2C19 expressed in microsomes using BMC as substrate after 10 mins by P450 cypex assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed