null

SMILES C[C@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1cnn(C)c1)c1ccccc1)c1ccc(cc1)C#N

InChI Key InChIKey=SEDFZSHSBUXKAC-NIYFSFCBSA-N

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50542060   

TargetCytochrome P450 2C19(Homo sapiens (Human))
Constellation Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50542060(CHEMBL4641354 | US11274090, Example 33 Isomer 2)copy SMILEScopy InChI
Affinity DataIC50: 2.70E+3nMAssay Description:Inhibition of CYP2C19 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2NV9NT5PubMed