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 6 hits for monomerid = 50228403
TargetDipeptidyl peptidase 4(Homo sapiens (Human))
Boehringer Ingelheim Pharma GmbH & Co. KG
Curated by ChEMBL
Boehringer Ingelheim Pharma GmbH & Co. KG
Curated by ChEMBL
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
TargetDipeptidyl peptidase 4(Homo sapiens (Human))
Boehringer Ingelheim Pharma GmbH & Co. KG
Curated by ChEMBL
Boehringer Ingelheim Pharma GmbH & Co. KG
Curated by ChEMBL
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
TargetDipeptidyl peptidase 4(Homo sapiens (Human))
Boehringer Ingelheim Pharma GmbH & Co. KG
Curated by ChEMBL
Boehringer Ingelheim Pharma GmbH & Co. KG
Curated by ChEMBL
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)
TargetDipeptidyl peptidase 4(Homo sapiens (Human))
Boehringer Ingelheim Pharma GmbH & Co. KG
Curated by ChEMBL
Boehringer Ingelheim Pharma GmbH & Co. KG
Curated by ChEMBL
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)