BDBM50213021 CHEBI:63621::Fortovase::Invirase::Ro-31-8959::Ro-318959000::Saquinavir::US10806794, Compound Saquinavir

SMILES [H][C@@]12CCCC[C@]1([H])CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc3ccccc3n1)[C@@H](C2)C(=O)NC(C)(C)C

InChI Key InChIKey=QWAXKHKRTORLEM-UGJKXSETSA-N

Data  13 KI  15 IC50  4 Kd

PDB links: 28 PDB IDs match this monomer.

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50213021   

TargetSolute carrier family 22 member 1(RAT)
University Of California

Curated by ChEMBL
LigandPNGBDBM50213021(CHEBI:63621 | Fortovase | Invirase | Ro-31-8959 | ...)
Affinity DataIC50:  8.26E+3nMAssay Description:TP_TRANSPORTER: inhibition of TEA uptake (TEA: 10 uM) in OCT1-expressing HeLa cellsMore data for this Ligand-Target Pair
In DepthDetails PubMed