null

SMILES CC#CCn1c(nc2n(C)c(=O)n(Cc3nc(C)c4ccccc4n3)c(=O)c12)N1CCC[C@@H](N)C1

InChI Key InChIKey=LTXREWYXXSTFRX-QGZVFWFLSA-N

PDB links: 2 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 25 hits for monomerid = 50228403   

TargetDipeptidyl peptidase 4 [K6R,T557I](Homo sapiens (Human))
China Pharmaceutical University

LigandPNGBDBM50228403((R)-8-(3-aminopiperidin-1-yl)-7-(but-2-ynyl)-3-met...)copy SMILEScopy InChI
Affinity DataIC50: 1nMAssay Description:The DPP-4 Drug Discovery Kit (Enzo Life Sciences International, Inc.) was used for the assay of inhibition of DPP-4 activity. The assay is based on t...More data for this Ligand-Target Pair
TargetDipeptidyl peptidase 4(Homo sapiens (Human))TBA
LigandPNGBDBM50228403((R)-8-(3-aminopiperidin-1-yl)-7-(but-2-ynyl)-3-met...)copy SMILEScopy InChI
Affinity DataIC50: 1.30nMMore data for this Ligand-Target Pair
TargetDipeptidyl peptidase 4(Homo sapiens (Human))TBA
LigandPNGBDBM50228403((R)-8-(3-aminopiperidin-1-yl)-7-(but-2-ynyl)-3-met...)copy SMILEScopy InChI
Affinity DataIC50: 0.320nMAssay Description:The synthetic title compounds 7 (a-j) and 8 (a-j) were screened for in vitro DPP-4 inhibition using DPP-4 activity assay kit (Krishgen BioSystems). D...More data for this Ligand-Target Pair
TargetDipeptidyl peptidase 4(Homo sapiens (Human))TBA
LigandPNGBDBM50228403((R)-8-(3-aminopiperidin-1-yl)-7-(but-2-ynyl)-3-met...)copy SMILEScopy InChI
Affinity DataIC50: 1nMpH: 7.8Assay Description:50 μl substrate solution (AFC; AFC is amido-4-trifluoromethylcoumarin), final concentration 100 μM, were placed in black microtitre plates. 20 ...More data for this Ligand-Target Pair
TargetDipeptidyl peptidase 4(Homo sapiens (Human))TBA
LigandPNGBDBM50228403((R)-8-(3-aminopiperidin-1-yl)-7-(but-2-ynyl)-3-met...)copy SMILEScopy InChI
Affinity DataIC50: 2nMAssay Description:Inhibition of DPP4 purified from human seminal plasma using Gly-Pro-p-nitroanilide as substrate by spectrophotometryMore data for this Ligand-Target Pair
TargetProlyl endopeptidase FAP(Mus musculus (Mouse))
University of Antwerp

Curated by ChEMBL
LigandPNGBDBM50228403((R)-8-(3-aminopiperidin-1-yl)-7-(but-2-ynyl)-3-met...)copy SMILEScopy InChI
Affinity DataIC50: 370nMAssay Description:Inhibition of recombinant mouse FAP purified from HEK293 cell supernatant using Ala-Pro-p-nitroanilide as substrate by spectrophotometryMore data for this Ligand-Target Pair
TargetDipeptidyl peptidase 4(Homo sapiens (Human))TBA
LigandPNGBDBM50228403((R)-8-(3-aminopiperidin-1-yl)-7-(but-2-ynyl)-3-met...)copy SMILEScopy InChI
Affinity DataIC50: 1nMAssay Description:Inhibition of human DPP4 in Caco2 cells by fluorescene assayMore data for this Ligand-Target Pair
TargetDipeptidyl peptidase 4(Homo sapiens (Human))TBA
LigandPNGBDBM50228403((R)-8-(3-aminopiperidin-1-yl)-7-(but-2-ynyl)-3-met...)copy SMILEScopy InChI
Affinity DataIC50: 0.100nMAssay Description:Inhibition of human DPP4 preincubated for 30 mins followed by Gly-Pro-AMC addition measured for 50 mins by continuous fluorescence assayMore data for this Ligand-Target Pair
TargetDipeptidyl peptidase 4(Homo sapiens (Human))TBA
LigandPNGBDBM50228403((R)-8-(3-aminopiperidin-1-yl)-7-(but-2-ynyl)-3-met...)copy SMILEScopy InChI
Affinity DataIC50: 0.100nMAssay Description:Inhibition of human C-terminal step-tagged DPP4 expressed using baculovirus systemMore data for this Ligand-Target Pair
TargetProlyl endopeptidase FAP(Mus musculus (Mouse))
University of Antwerp

Curated by ChEMBL
LigandPNGBDBM50228403((R)-8-(3-aminopiperidin-1-yl)-7-(but-2-ynyl)-3-met...)copy SMILEScopy InChI
Affinity DataIC50: 370nMAssay Description:Inhibition of mouse recombinant FAP expressed in HEK293 cells using Ala-Pro-p-nitroanilide as substrate incubated for 15 mins prior to substrate addi...More data for this Ligand-Target Pair
TargetDipeptidyl peptidase 4(Homo sapiens (Human))TBA
LigandPNGBDBM50228403((R)-8-(3-aminopiperidin-1-yl)-7-(but-2-ynyl)-3-met...)copy SMILEScopy InChI
Affinity DataIC50: 1nMAssay Description:Inhibition of DPP4 in human Caco-2 cells after 1 hrMore data for this Ligand-Target Pair
TargetProlyl endopeptidase FAP(Homo sapiens (Human))
Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50228403((R)-8-(3-aminopiperidin-1-yl)-7-(but-2-ynyl)-3-met...)copy SMILEScopy InChI
Affinity DataIC50: 89nMAssay Description:Inhibition of FAPalphaMore data for this Ligand-Target Pair
TargetDipeptidyl peptidase 4(Homo sapiens (Human))TBA
LigandPNGBDBM50228403((R)-8-(3-aminopiperidin-1-yl)-7-(but-2-ynyl)-3-met...)copy SMILEScopy InChI
Affinity DataIC50: 1nMAssay Description:Inhibition of DPP4 in human plasma using Gly-Pro-AMC as substrate by fluorimetric analysisMore data for this Ligand-Target Pair
TargetDipeptidyl peptidase 4(Homo sapiens (Human))TBA
LigandPNGBDBM50228403((R)-8-(3-aminopiperidin-1-yl)-7-(but-2-ynyl)-3-met...)copy SMILEScopy InChI
Affinity DataIC50: 1nMpH: 7.8Assay Description:50 μl substrate solution (AFC; AFC is amido-4-trifluoromethylcoumarin), final concentration 100 μM, were placed in black microtitre plates....More data for this Ligand-Target Pair
TargetDipeptidyl peptidase 4(Homo sapiens (Human))TBA
LigandPNGBDBM50228403((R)-8-(3-aminopiperidin-1-yl)-7-(but-2-ynyl)-3-met...)copy SMILEScopy InChI
Affinity DataIC50: 1nMAssay Description:50 μl substrate solution (AFC; AFC is amido-4-trifluoromethylcoumarin), final concentration 100 μM, were placed in black microtitre plates....More data for this Ligand-Target Pair
TargetDipeptidyl peptidase 4(Homo sapiens (Human))TBA
LigandPNGBDBM50228403((R)-8-(3-aminopiperidin-1-yl)-7-(but-2-ynyl)-3-met...)copy SMILEScopy InChI
Affinity DataIC50: 2nMAssay Description:Inhibition of human DPP4More data for this Ligand-Target Pair
TargetDipeptidyl peptidase 4(Homo sapiens (Human))TBA
LigandPNGBDBM50228403((R)-8-(3-aminopiperidin-1-yl)-7-(but-2-ynyl)-3-met...)copy SMILEScopy InChI
Affinity DataIC50: 0.210nMAssay Description:DPP-IV could hydrolyze Gly-Pro-Aminoluciferin at room temperature to generate Aminoluciferin, which could produce “glow type” luminescent signals in ...More data for this Ligand-Target Pair
TargetDipeptidyl peptidase 4(Homo sapiens (Human))TBA
LigandPNGBDBM50228403((R)-8-(3-aminopiperidin-1-yl)-7-(but-2-ynyl)-3-met...)copy SMILEScopy InChI
Affinity DataIC50: 1nMAssay Description:Inhibition of dipeptidyl peptidase 4 (unknown origin)More data for this Ligand-Target Pair
TargetDipeptidyl peptidase 4(Homo sapiens (Human))TBA
LigandPNGBDBM50228403((R)-8-(3-aminopiperidin-1-yl)-7-(but-2-ynyl)-3-met...)copy SMILEScopy InChI
Affinity DataIC50: 1.30nMAssay Description:Inhibition of human DPP4 in pH 7.4 Tris buffer using AP-7-ATFMC as substrate preincubated for 15 mins followed by substrate addition by microplate re...More data for this Ligand-Target Pair
TargetDipeptidyl peptidase 4(Homo sapiens (Human))TBA
LigandPNGBDBM50228403((R)-8-(3-aminopiperidin-1-yl)-7-(but-2-ynyl)-3-met...)copy SMILEScopy InChI
Affinity DataIC50: 1nMAssay Description:Inhibition of human recombinant DPP4 (39 to 766 residues) using Ala-Pro-AFC as substrate incubated for 1 hr by fluorescence assayMore data for this Ligand-Target Pair
TargetDipeptidyl peptidase 4(Homo sapiens (Human))TBA
LigandPNGBDBM50228403((R)-8-(3-aminopiperidin-1-yl)-7-(but-2-ynyl)-3-met...)copy SMILEScopy InChI
Affinity DataKd:  0.00660nMAssay Description:Binding affinity to human recombinant DPP4 (39 to 766 residues) by surface plasmon resonance analysisMore data for this Ligand-Target Pair
TargetDipeptidyl peptidase 4(Homo sapiens (Human))TBA
LigandPNGBDBM50228403((R)-8-(3-aminopiperidin-1-yl)-7-(but-2-ynyl)-3-met...)copy SMILEScopy InChI
Affinity DataKd:  5.30nMAssay Description:Binding affinity to human recombinant DPP4 (39 to 766 residues) at 5 uM by isothermal titration calorimetryMore data for this Ligand-Target Pair
TargetDipeptidyl peptidase 4(Homo sapiens (Human))TBA
LigandPNGBDBM50228403((R)-8-(3-aminopiperidin-1-yl)-7-(but-2-ynyl)-3-met...)copy SMILEScopy InChI
TargetDipeptidyl peptidase 4(Homo sapiens (Human))TBA
LigandPNGBDBM50228403((R)-8-(3-aminopiperidin-1-yl)-7-(but-2-ynyl)-3-met...)copy SMILEScopy InChI
Affinity DataIC50: 0.400nMMore data for this Ligand-Target Pair
TargetDipeptidyl peptidase 4(Homo sapiens (Human))TBA
LigandPNGBDBM50228403((R)-8-(3-aminopiperidin-1-yl)-7-(but-2-ynyl)-3-met...)copy SMILEScopy InChI
Affinity DataIC50: 1nMT: 2°CAssay Description:Gly-Pro-7-amido-4-methylcoumarin can be hydrolyzed by dipeptidyl peptidase IV (DPP-IV) at room temperature, to generate 7-amido-4-methyl coumarin, wh...More data for this Ligand-Target Pair