BDBM50192753 CHEMBL3985591

SMILES CC(C)[C@H]1N(Cc2cn(nc12)-c1cccc(c1)S(C)(=O)=O)c1cc(nc(C)n1)C(F)(F)F

InChI Key InChIKey=IGGSXCWSHVYVMA-HXUWFJFHSA-N

Data  2 KI  3 IC50  2 EC50

PDB links: 16 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50192753   

TargetCytochrome P450 3A4(Homo sapiens (Human))
Vitae Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50192753(CHEMBL3985591)
Affinity DataIC50:  2.11E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed