BDBM554502 (5RS)-5-{[(3S)-3-Fluoropyrrolidin-1-yl]carbonyl}-2-[4-fluoro-3-(trifluoromethyl)benzyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one (Diastereomer Mixture; 2 Isomers)::US11337973, Example 6::US11337973, Example 7::US11337973, Example 8

SMILES F[C@H]1CCN(C1)C(=O)C1CNCc2nn(Cc3ccc(F)c(c3)C(F)(F)F)c(=O)n12

InChI Key InChIKey=KYIDFTSUBXTMPA-UHFFFAOYSA-N

Data  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 554502   

TargetProlyl endopeptidase(Human)
Bayer Aktiengesellschaft

US Patent
LigandPNGBDBM554502((5RS)-5-{[(3S)-3-Fluoropyrrolidin-1-yl]carbonyl}-2...)
Affinity DataIC50: 0.670nMAssay 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
In Depth
Date in BDB:
8/28/2022
Entry Details
Go to US Patent

TargetProlyl endopeptidase(Human)
Bayer Aktiengesellschaft

US Patent
LigandPNGBDBM554502((5RS)-5-{[(3S)-3-Fluoropyrrolidin-1-yl]carbonyl}-2...)
Affinity DataIC50: 3.5nMAssay 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
In Depth
Date in BDB:
8/28/2022
Entry Details
Go to US Patent

TargetProlyl endopeptidase(Human)
Bayer Aktiengesellschaft

US Patent
LigandPNGBDBM554502((5RS)-5-{[(3S)-3-Fluoropyrrolidin-1-yl]carbonyl}-2...)
Affinity DataIC50: 455nMAssay 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
In Depth
Date in BDB:
8/28/2022
Entry Details
Go to US Patent