BDBM50538668 CHEMBL4634455::US11518761, Example 159

SMILES Nc1ncnc2n(nc(Oc3cc(ccn3)C(F)(F)F)c12)C1CC1

InChI Key InChIKey=KWGARBYHIQLXRK-UHFFFAOYSA-N

Data  4 IC50  5 EC50

  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 = 50538668   

TargetCytochrome P450 1A2(Homo sapiens (Human))
Washington University School Of Medicine

Curated by ChEMBL
LigandPNGBDBM50538668(CHEMBL4634455 | US11518761, Example 159)
Affinity DataEC50:  460nMAssay Description:Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate measured after 10 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed