BDBM50335784 2-[6-(3-Aminopiperidin-1-yl)-3-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-ylmethyl]-4-fluorobenzonitrile::CHEMBL1650443
SMILES: Cn1c(=O)cc(N2CCC[C@@H](N)C2)n(Cc2cc(F)ccc2C#N)c1=O
InChI Key: InChIKey=IWYJYHUNXVAVAA-OAHLLOKOSA-N
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Dipeptidyl peptidase 4 (Homo sapiens (Human)) | BDBM50335784 (2-[6-(3-Aminopiperidin-1-yl)-3-methyl-2,4-dioxo-3,...) | PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 5.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The First Affiliated Hospital of Guangzhou Medical University Curated by ChEMBL | Assay 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... | Eur J Med Chem 141: 519-529 (2017) Article DOI: 10.1016/j.ejmech.2017.10.029 BindingDB Entry DOI: 10.7270/Q2TB19D0 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Dipeptidyl peptidase VIII (Homo sapiens (Human)) | BDBM50335784 (2-[6-(3-Aminopiperidin-1-yl)-3-methyl-2,4-dioxo-3,...) | PDB KEGG GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda San Diego, Inc. Curated by ChEMBL | Assay Description Inhibition of human DPP8 | J Med Chem 54: 510-24 (2011) Article DOI: 10.1021/jm101016w BindingDB Entry DOI: 10.7270/Q24X5828 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dipeptidyl peptidase 4 (Homo sapiens (Human)) | BDBM50335784 (2-[6-(3-Aminopiperidin-1-yl)-3-methyl-2,4-dioxo-3,...) | PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
The First Affiliated Hospital of Guangzhou Medical University Curated by ChEMBL | Assay Description Inhibition of human DPP4 using Gly-Pro-AMC as substrate preincubated for 10 mins followed by substrate addition measured for 5 to 10 mins | Eur J Med Chem 141: 519-529 (2017) Article DOI: 10.1016/j.ejmech.2017.10.029 BindingDB Entry DOI: 10.7270/Q2TB19D0 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Dipeptidyl peptidase 4 (Homo sapiens (Human)) | BDBM50335784 (2-[6-(3-Aminopiperidin-1-yl)-3-methyl-2,4-dioxo-3,...) | PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda San Diego, Inc. Curated by ChEMBL | Assay Description Inhibition of human DPP4 | J Med Chem 54: 510-24 (2011) Article DOI: 10.1021/jm101016w BindingDB Entry DOI: 10.7270/Q24X5828 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Dipeptidyl peptidase 4 (Homo sapiens (Human)) | BDBM50335784 (2-[6-(3-Aminopiperidin-1-yl)-3-methyl-2,4-dioxo-3,...) | PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc. Curated by ChEMBL | Assay Description Inhibition of human recombinant DPP4 using Gly-Pro-7-amido-4-methyl-coumarin as substrate incubated for 15 mins by fluorescence assay | J Med Chem 60: 6480-6515 (2017) Article DOI: 10.1021/acs.jmedchem.7b00010 BindingDB Entry DOI: 10.7270/Q2PK0JDP | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |