BDBM50335784 2-[6-(3-Aminopiperidin-1-yl)-3-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-ylmethyl]-4-fluorobenzonitrile::CHEMBL1650443::US20240115577, Compound 10

SMILES Cn1c(=O)cc(N2CCC[C@@H](N)C2)n(Cc2cc(F)ccc2C#N)c1=O

InChI Key InChIKey=IWYJYHUNXVAVAA-UHFFFAOYSA-N

Data  2 KI  11 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 50335784   

TargetDipeptidyl peptidase 4(Human)
Takeda California

Curated by ChEMBL
LigandPNGBDBM50335784(2-[6-(3-Aminopiperidin-1-yl)-3-methyl-2,4-dioxo-3,...)
Affinity DataIC50: 4nMAssay Description:Inhibition of human DPP4More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetDipeptidyl peptidase 8(Human)
Takeda California

Curated by ChEMBL
LigandPNGBDBM50335784(2-[6-(3-Aminopiperidin-1-yl)-3-methyl-2,4-dioxo-3,...)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human DPP8More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetDipeptidyl peptidase 4(Human)
Takeda California

Curated by ChEMBL
LigandPNGBDBM50335784(2-[6-(3-Aminopiperidin-1-yl)-3-methyl-2,4-dioxo-3,...)
Affinity DataIC50: 1.30nMAssay Description:Inhibition of human recombinant DPP4 using Gly-Pro-7-amido-4-methyl-coumarin as substrate incubated for 15 mins by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetDipeptidyl peptidase 4(Human)
Takeda California

Curated by ChEMBL
LigandPNGBDBM50335784(2-[6-(3-Aminopiperidin-1-yl)-3-methyl-2,4-dioxo-3,...)
Affinity DataIC50: 1.40nMAssay Description:Inhibition of human DPP4 using Gly-Pro-AMC as substrate preincubated for 10 mins followed by substrate addition measured for 5 to 10 minsMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetDipeptidyl peptidase 4(Human)
Takeda California

Curated by ChEMBL
LigandPNGBDBM50335784(2-[6-(3-Aminopiperidin-1-yl)-3-methyl-2,4-dioxo-3,...)
Affinity DataIC50: 1.30nMAssay Description:Inhibition of human recombinant DPP-4 in Caco-2 cells using GP-AMC as substrate by fluorescence based assayMore data for this Ligand-Target Pair
In DepthDetails
PubMedPDB3D3D Structure (crystal)
TargetDipeptidyl peptidase 4(Human)
Takeda California

Curated by ChEMBL
LigandPNGBDBM50335784(2-[6-(3-Aminopiperidin-1-yl)-3-methyl-2,4-dioxo-3,...)
Affinity DataIC50: 5.40nMAssay Description:Inhibition of human recombinant DPP-4 expressed in human Caco-2 cells using H-Ala-Pro-7-amido-4-trifluoromethylcoumarin as substrate measured after 1...More data for this Ligand-Target Pair
In DepthDetails
PubMedPDB3D3D Structure (crystal)
TargetDipeptidyl peptidase 2(Rat)
Sichuan Normal University

Curated by ChEMBL
LigandPNGBDBM50335784(2-[6-(3-Aminopiperidin-1-yl)-3-methyl-2,4-dioxo-3,...)
Affinity DataIC50: 1.00E+6nMAssay Description:Inhibition of flag-tagged rat DPP-2 using LysAla-pNA as substrate measured after 60 mins by fluorescence based assayMore data for this Ligand-Target Pair
In DepthDetails
PubMed
TargetDipeptidyl peptidase 8(Human)
Takeda California

Curated by ChEMBL
LigandPNGBDBM50335784(2-[6-(3-Aminopiperidin-1-yl)-3-methyl-2,4-dioxo-3,...)
Affinity DataIC50: 1.00E+6nMAssay Description:Inhibition of flag-tagged DPP-8 in HEK293F using GlyPro-pNA as substrate measured after 90 mins by fluorescence based assayMore data for this Ligand-Target Pair
In DepthDetails
PubMed
TargetDipeptidyl peptidase 9(Human)
Sichuan Normal University

Curated by ChEMBL
LigandPNGBDBM50335784(2-[6-(3-Aminopiperidin-1-yl)-3-methyl-2,4-dioxo-3,...)
Affinity DataIC50: 1.00E+6nMAssay Description:Inhibition of flag-tagged DPP-9 in HEK293F using GlyPro-pNA as substrate measured after 90 mins by fluorescence based assayMore data for this Ligand-Target Pair
In DepthDetails
PubMed
TargetProlyl endopeptidase FAP(Human)
Sichuan Normal University

Curated by ChEMBL
LigandPNGBDBM50335784(2-[6-(3-Aminopiperidin-1-yl)-3-methyl-2,4-dioxo-3,...)
Affinity DataIC50: 1.00E+6nMAssay Description:Inhibition of flag-tagged FAPalpha in HEK293F using GlyPro-pNA as substrate measured after 60 mins by fluorescence based assayMore data for this Ligand-Target Pair
In DepthDetails
PubMed
TargetDipeptidyl peptidase 4(Human)
Takeda California

Curated by ChEMBL
LigandPNGBDBM50335784(2-[6-(3-Aminopiperidin-1-yl)-3-methyl-2,4-dioxo-3,...)
Affinity DataIC50: 0.700nMAssay Description:Human DPP4 activity assay data were obtained using a DPP4 Activity Assay Kit (Sigma-Aldrich, MAK088) according to the manufacturer's instructions...More data for this Ligand-Target Pair
In DepthDetails
US Patent
PDB3D3D Structure (crystal)
TargetDipeptidyl peptidase 4(Human)
Takeda California

Curated by ChEMBL
LigandPNGBDBM50335784(2-[6-(3-Aminopiperidin-1-yl)-3-methyl-2,4-dioxo-3,...)
Affinity DataKi:  1.5nMAssay Description:Binding affinity to human DPP-4 expressed in human Caco-2 cells using GP-pNA as substrate assessed as inhibition constantMore data for this Ligand-Target Pair
In DepthDetails
PubMedPDB3D3D Structure (crystal)
TargetDipeptidyl peptidase 4(Human)
Takeda California

Curated by ChEMBL
LigandPNGBDBM50335784(2-[6-(3-Aminopiperidin-1-yl)-3-methyl-2,4-dioxo-3,...)
Affinity DataKi:  5.10nMAssay Description:Competitive inhibition of human DPP4 using Gly-Pro-AMC as substrate preincubated for 10 mins followed by substrate addition measured for 5 to 10 mins...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)