BDBM554533 (5RS)-2-[(5-Chloropyridin-3-yl)methyl]-5-{[(3S)-3-fluoropyrrolidin-1-yl]carbonyl}-7-methyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one (Diastereomer Mixture; 2 Isomers)::US11337973, Example 38::US11337973, Example 39::US11337973, Example 40

SMILES CN1CC(C(=O)N2CC[C@H](F)C2)n2c(C1)nn(Cc1cncc(Cl)c1)c2=O

InChI Key InChIKey=KQUZJWTWCPTYEZ-UHFFFAOYSA-N

Data  3 IC50

  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 3 hits for monomerid = 554533   

TargetProlyl endopeptidase(Human)
Bayer Aktiengesellschaft

US Patent
LigandPNGBDBM554533((5RS)-2-[(5-Chloropyridin-3-yl)methyl]-5-{[(3S)-3-...)
Affinity DataIC50: 1.20nMAssay 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
In Depth
Date in BDB:
8/28/2022
Entry Details
Go to US Patent

TargetProlyl endopeptidase(Human)
Bayer Aktiengesellschaft

US Patent
LigandPNGBDBM554533((5RS)-2-[(5-Chloropyridin-3-yl)methyl]-5-{[(3S)-3-...)
Affinity DataIC50: 88.5nMAssay 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
LigandPNGBDBM554533((5RS)-2-[(5-Chloropyridin-3-yl)methyl]-5-{[(3S)-3-...)
Affinity DataIC50: 0.200nMAssay 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