BDBM554531 (5RS)-5-{[(3S)-3-Fluoropyrrolidin-1-yl]carbonyl}-7-methyl-2-{[6-(trifluoromethyl)pyridin-3-yl]methyl}-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one (Diastereomer Mixture; 2 Isomers)::US11337973, Example 35

SMILES CN1CC(C(=O)N2CC[C@H](F)C2)n2c(C1)nn(Cc1ccc(nc1)C(F)(F)F)c2=O

InChI Key InChIKey=STBRWPCJRRIAOW-UHFFFAOYSA-N

Data  1 IC50

  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 = 554531   

TargetProlyl endopeptidase(Human)
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US Patent
LigandPNGBDBM554531((5RS)-5-{[(3S)-3-Fluoropyrrolidin-1-yl]carbonyl}-7...)
Affinity DataIC50: 4.20nMAssay Description:To recombinant full-length human prolyl endopeptidase (PREP, R&D-Systems, 4308-SE; final concentration, for example, 0.4 nM, volume: 25 al) in reacti...More data for this Ligand-Target Pair
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Date in BDB:
8/28/2022
Entry Details
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