BDBM126822 US8785477, Sitagliptin

SMILES NC(CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1cc(F)c(F)cc1F

InChI Key InChIKey=MFFMDFFZMYYVKS-UHFFFAOYSA-N

Data  3 IC50

PDB links: 3 PDB IDs match this monomer.

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 126822   

TargetDipeptidyl peptidase 4(Rattus norvegicus (rat))
Shanghai Sun-Sail Pharmaceutical Science & Technology

US Patent
LigandPNGBDBM126822(US8785477, Sitagliptin)
Affinity DataIC50:  26.0nMAssay Description:Thoroughly mixed test compounds, enzyme and reaction buffer, preincubated the mixture for 15 minutes at 37° C. and then primed reaction by adding sub...More data for this Ligand-Target Pair
TargetDipeptidyl peptidase 4(Homo sapiens (Human))
Guru Nanak Dev University

Curated by ChEMBL
LigandPNGBDBM126822(US8785477, Sitagliptin)
Affinity DataIC50:  18nMAssay Description:Inhibition of human DPP4 using Gly-Pro-AMC as substrate incubated for 30 mins by continuous fluorescent assayMore data for this Ligand-Target Pair
TargetDipeptidyl peptidase 4(Homo sapiens (Human))
Guru Nanak Dev University

Curated by ChEMBL
LigandPNGBDBM126822(US8785477, Sitagliptin)
Affinity DataIC50:  19nMAssay Description:Inhibition of DPP4 (unknown origin) using Gly-Pro-AMC as substrate incubated for 30 mins by fluorescence based enzyme immunoassayMore data for this Ligand-Target Pair