BDBM11558 (3S)-2-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide::CHEMBL381806::tetrahydroisoquinoline derivative 8
SMILES: N[C@@H](CC(=O)N1Cc2ccccc2C[C@H]1C(N)=O)Cc1ccccc1F
InChI Key: InChIKey=OEVYDSSAPNIURZ-AEFFLSMTSA-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)) | BDBM11558 ((3S)-2-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]-1...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | n/a | n/a | 23 | n/a | n/a | n/a | n/a | 7.4 | 25 |
Santhera Pharmaceuticals | Assay Description The DPP4 activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 370 nm and mea... | Bioorg Med Chem Lett 16: 1744-8 (2006) Article DOI: 10.1016/j.bmcl.2005.11.103 BindingDB Entry DOI: 10.7270/Q2639MZX | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Dipeptidyl peptidase 4 (Homo sapiens (Human)) | BDBM11558 ((3S)-2-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]-1...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Therapeutics Ltd. Curated by ChEMBL | Assay Description Binding affinity to DPP4 | J Med Chem 51: 3661-80 (2008) Article DOI: 10.1021/jm8000373 BindingDB Entry DOI: 10.7270/Q2N58M4H | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Dipeptidyl peptidase IV (Sus scrofa (pig)) | BDBM11558 ((3S)-2-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]-1...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars | DrugBank MMDB PDB Article PubMed | n/a | n/a | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
Santhera Pharmaceuticals | Assay Description The DPP4 activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 370 nm and mea... | Bioorg Med Chem Lett 16: 1744-8 (2006) Article DOI: 10.1016/j.bmcl.2005.11.103 BindingDB Entry DOI: 10.7270/Q2639MZX | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |