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.
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 48 hits for monomerid = 50228403
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
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
In DepthDetails
Article
BindingDB Entry DOI: 10.7270/Q2PR7TTRPubMedDrugBank
MMDB
PDB
3D Structure (crystal)
BindingDB Entry DOI: 10.7270/Q2PR7TTRPubMedDrugBank
MMDB
PDB
3D Structure (crystal)
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
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of recombinant human PREP purified from Escherichia coli using Z-Gly-Pro-p-nitroanilide as substrate by spectrophotometryMore data for this Ligand-Target Pair
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
In DepthDetails
Article
BindingDB Entry DOI: 10.7270/Q2P84DFWPubMedDrugBank
MMDB
PDB
3D Structure (crystal)
BindingDB Entry DOI: 10.7270/Q2P84DFWPubMedDrugBank
MMDB
PDB
3D Structure (crystal)
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
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of DPP2 purified from human seminal plasma using Lys-Ala-p-nitroanilide as substrate by spectrophotometryMore data for this Ligand-Target Pair
TargetSolute carrier family 22 member 8(Homo sapiens (Human))
Nippon Boehringer Ingelheim Co., Ltd.
Curated by ChEMBL
Nippon Boehringer Ingelheim Co., Ltd.
Curated by ChEMBL
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of OAT3 (unknown origin) expressed in HEK293 cells assessed as reduction of [3H]E-sul substrate uptake by liquid scintillation countingMore data for this Ligand-Target Pair
TargetSolute carrier organic anion transporter family member 1B1(Homo sapiens (Human))
Nippon Boehringer Ingelheim Co., Ltd.
Curated by ChEMBL
Nippon Boehringer Ingelheim Co., Ltd.
Curated by ChEMBL
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of OATP1B1 (unknown origin) expressed in HEK293 cells assessed as reduction of [3H]E217betaG substrate uptake by liquid scintillation coun...More data for this Ligand-Target Pair
TargetPOU domain, class 2, transcription factor 1(Homo sapiens (Human))
Nippon Boehringer Ingelheim Co., Ltd.
Curated by ChEMBL
Nippon Boehringer Ingelheim Co., Ltd.
Curated by ChEMBL
Affinity DataIC50: 4.10E+4nMAssay Description:Inhibition of OCT1 (unknown origin) expressed in HEK293 cells assessed as reduction of [14C]metformin substrate uptake at 100 uM by liquid scintillat...More data for this Ligand-Target Pair
TargetPOU domain, class 2, transcription factor 1(Homo sapiens (Human))
Nippon Boehringer Ingelheim Co., Ltd.
Curated by ChEMBL
Nippon Boehringer Ingelheim Co., Ltd.
Curated by ChEMBL
Affinity DataIC50: 4.50E+4nMAssay Description:Inhibition of OCT1 (unknown origin) expressed in HEK293 cells assessed as reduction of [ethyl 1-14C]TEA substrate uptake at 100 uM by liquid scintill...More data for this Ligand-Target Pair
TargetPOU domain, class 2, transcription factor 2(Homo sapiens (Human))
Nippon Boehringer Ingelheim Co., Ltd.
Curated by ChEMBL
Nippon Boehringer Ingelheim Co., Ltd.
Curated by ChEMBL
Affinity DataIC50: 8.00E+4nMAssay Description:Inhibition of OCT2 (unknown origin) expressed in HEK293 cells assessed as reduction of [14C]metformin substrate uptake at 100 uM by liquid scintillat...More data for this Ligand-Target Pair
Affinity DataIC50: 1nMAssay Description:Inhibition of human DPP4 in Caco2 cells by fluorescene assayMore data for this Ligand-Target Pair
In DepthDetails
Article
BindingDB Entry DOI: 10.7270/Q2639PGGPubMedDrugBank
MMDB
PDB
3D Structure (crystal)
BindingDB Entry DOI: 10.7270/Q2639PGGPubMedDrugBank
MMDB
PDB
3D Structure (crystal)
TargetMuscarinic acetylcholine receptor M1(Homo sapiens (Human))
Boehringer Ingelheim Pharma GmbH & Co. KG
Curated by ChEMBL
Boehringer Ingelheim Pharma GmbH & Co. KG
Curated by ChEMBL
Affinity DataIC50: 295nMAssay Description:Displacement of [N-methyl-3H]-scopolamine from human recombinant muscarinic M1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of DPP9 (unknown origin) preincubated for 20 mins followed by Gly-Pro-AMC addition measured for 50 mins by continuous fluorescence assayMore data for this Ligand-Target Pair
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of recombinant DPP8 (unknown origin) preincubated for 20 mins followed by Ala-Pro-AFC addition measured for 40 mins by continuous fluoresc...More data for this Ligand-Target Pair
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of QPP (unknown origin) preincubated for 30 mins followed by Nle-Pro-AMC addition measured for 50 mins by continuous fluorescence assayMore data for this Ligand-Target Pair
Affinity DataIC50: 71nMAssay Description:Inhibition of FAP (unknown origin) preincubated for 20 mins followed by Nle-Pro-AMC addition measured for 40 mins by continuous fluorescence assayMore data for this Ligand-Target Pair
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
In DepthDetails
Article
BindingDB Entry DOI: 10.7270/Q2CN75SMPubMedDrugBank
MMDB
PDB
3D Structure (crystal)
BindingDB Entry DOI: 10.7270/Q2CN75SMPubMedDrugBank
MMDB
PDB
3D Structure (crystal)
TargetMuscarinic acetylcholine receptor M1(Homo sapiens (Human))
Boehringer Ingelheim Pharma GmbH & Co. KG
Curated by ChEMBL
Boehringer Ingelheim Pharma GmbH & Co. KG
Curated by ChEMBL
Affinity DataIC50: 295nMAssay Description:Inhibition of M1 receptorMore data for this Ligand-Target Pair
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Argenta Discovery Ltd.
Curated by ChEMBL
Argenta Discovery Ltd.
Curated by ChEMBL
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of human ERG by dofetilide binding assayMore data for this Ligand-Target Pair
Affinity DataIC50: 0.100nMAssay Description:Inhibition of human C-terminal step-tagged DPP4 expressed using baculovirus systemMore data for this Ligand-Target Pair
In DepthDetails
Article
BindingDB Entry DOI: 10.7270/Q2SF2WN8PubMedDrugBank
MMDB
PDB
3D Structure (crystal)
BindingDB Entry DOI: 10.7270/Q2SF2WN8PubMedDrugBank
MMDB
PDB
3D Structure (crystal)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human recombinant PREP expressed in Escherichia coli using Z-Gly-Pro-p-nitroanilide as substrate incubated for 15 mins prior to substra...More data for this Ligand-Target Pair
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
Affinity DataIC50: 1nMAssay Description:Inhibition of DPP4 in human Caco-2 cells after 1 hrMore data for this Ligand-Target Pair
In DepthDetails
Article
BindingDB Entry DOI: 10.7270/Q2ZP470MPubMedDrugBank
MMDB
PDB
3D Structure (crystal)
BindingDB Entry DOI: 10.7270/Q2ZP470MPubMedDrugBank
MMDB
PDB
3D Structure (crystal)
TargetProlyl endopeptidase FAP(Homo sapiens (Human))
Dainippon Sumitomo Pharma Co., Ltd
Curated by ChEMBL
Dainippon Sumitomo Pharma Co., Ltd
Curated by ChEMBL
Affinity DataIC50: 89nMAssay Description:Inhibition of FAPalphaMore data for this Ligand-Target Pair
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
In DepthDetails
Article
BindingDB Entry DOI: 10.7270/Q2FX7BJXPubMedDrugBank
MMDB
PDB
3D Structure (crystal)
BindingDB Entry DOI: 10.7270/Q2FX7BJXPubMedDrugBank
MMDB
PDB
3D Structure (crystal)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human DPP2 using Lys-Ala-AMC as substrate by fluorimetric analysisMore data for this Ligand-Target Pair
Affinity DataIC50: 4.00E+4nMAssay Description:Inhibition of DPP8More data for this Ligand-Target Pair
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of DPP9More data for this Ligand-Target Pair
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
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
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of Porphyromonas gingivalis N-terminal His-tagged DPP4 expressed in Escherichia coli using Gly-Pro-p-nitroanilide as substrateMore data for this Ligand-Target Pair
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of bovine DPP9More data for this Ligand-Target Pair
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of DPP8 (unknown origin)More data for this Ligand-Target Pair
Affinity DataIC50: 2nMAssay Description:Inhibition of human DPP4More data for this Ligand-Target Pair
In DepthDetails
Article
BindingDB Entry DOI: 10.7270/Q25B050PPubMedDrugBank
MMDB
PDB
3D Structure (crystal)
BindingDB Entry DOI: 10.7270/Q25B050PPubMedDrugBank
MMDB
PDB
3D Structure (crystal)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of DPP2 (unknown origin)More data for this Ligand-Target Pair
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
Affinity DataIC50: 1nMAssay Description:Inhibition of dipeptidyl peptidase 4 (unknown origin)More data for this Ligand-Target Pair
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
In DepthDetails
Article
BindingDB Entry DOI: 10.7270/Q29W0JV6PubMedDrugBank
MMDB
PDB
3D Structure (crystal)
BindingDB Entry DOI: 10.7270/Q29W0JV6PubMedDrugBank
MMDB
PDB
3D Structure (crystal)
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
In DepthDetails
Article
BindingDB Entry DOI: 10.7270/Q2WW7N6VPubMedDrugBank
MMDB
PDB
3D Structure (crystal)
BindingDB Entry DOI: 10.7270/Q2WW7N6VPubMedDrugBank
MMDB
PDB
3D Structure (crystal)
TargetMuscarinic acetylcholine receptor M1(Homo sapiens (Human))
Boehringer Ingelheim Pharma GmbH & Co. KG
Curated by ChEMBL
Boehringer Ingelheim Pharma GmbH & Co. KG
Curated by ChEMBL
Affinity DataIC50: 300nMAssay Description:Inhibition of M1 receptor (unknown origin)More data for this Ligand-Target Pair
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
In DepthDetails
Article
BindingDB Entry DOI: 10.7270/Q2WW7N6VPubMedDrugBank
MMDB
PDB
3D Structure (crystal)
BindingDB Entry DOI: 10.7270/Q2WW7N6VPubMedDrugBank
MMDB
PDB
3D Structure (crystal)
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
In DepthDetails
Article
BindingDB Entry DOI: 10.7270/Q2WW7N6VPubMedDrugBank
MMDB
PDB
3D Structure (crystal)
BindingDB Entry DOI: 10.7270/Q2WW7N6VPubMedDrugBank
MMDB
PDB
3D Structure (crystal)
In DepthDetails
Article
BindingDB Entry DOI: 10.7270/Q28W3JD6PubMedDrugBank
MMDB
PDB
3D Structure (crystal)
BindingDB Entry DOI: 10.7270/Q28W3JD6PubMedDrugBank
MMDB
PDB
3D Structure (crystal)
In DepthDetails
Article
BindingDB Entry DOI: 10.7270/Q2251P86PubMedDrugBank
MMDB
PDB
3D Structure (crystal)
BindingDB Entry DOI: 10.7270/Q2251P86PubMedDrugBank
MMDB
PDB
3D Structure (crystal)
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