BDBM50032693 CHEBI:66901::Ivacaftor::Kalydeco::VX-770

SMILES CC(C)(C)c1cc(c(NC(=O)c2c[nH]c3ccccc3c2=O)cc1O)C(C)(C)C

InChI Key InChIKey=PURKAOJPTOLRMP-UHFFFAOYSA-N

Data  8 IC50  11 EC50

PDB links: 3 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 = 50032693   

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

Curated by ChEMBL
LigandPNGBDBM50032693(CHEBI:66901 | Ivacaftor | Kalydeco | VX-770)
Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of CYP2C19 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed