BDBM11696 (2S)-1-(2-{[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]amino}acetyl)pyrrolidine-2-carbonitrile::(2S)-Cyanopyrrolidine analogue 17::2-[2-[2-[2-Cyano-(S)-pyrrolidin-1-yl]-2-oxoethylamino]-1-oxo-ethyl]1,2,3,4-tetrahydroisoquinoline::CHEMBL371907
SMILES: O=C(CNCC(=O)N1CCc2ccccc2C1)N1CCC[C@H]1C#N
InChI Key: InChIKey=HGLYHGKGQIVSLQ-INIZCTEOSA-N
Data: 4 IC50
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)) | BDBM11696 ((2S)-1-(2-{[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 3.24E+3 | n/a | n/a | n/a | n/a | 8.0 | 37 |
National Health Research Institutes | Assay Description The enzyme activity resulted in the liberation of free pNA at 405 nm. Reaction progress was monitored using a Molecular Devices SpectraMax Plus micro... | J Med Chem 49: 373-80 (2006) Article DOI: 10.1021/jm0507781 BindingDB Entry DOI: 10.7270/Q28W3BJH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dipeptidyl peptidase 4 (Homo sapiens (Human)) | BDBM11696 ((2S)-1-(2-{[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 3.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes Curated by ChEMBL | Assay Description Inhibition of human DPP4 expressed in baculovirus system | Eur J Med Chem 43: 1603-11 (2008) Article DOI: 10.1016/j.ejmech.2007.11.014 BindingDB Entry DOI: 10.7270/Q2V69JCD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dipeptidyl peptidase 2 (DPP II) (Homo sapiens (Human)) | BDBM11696 ((2S)-1-(2-{[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes | Assay Description The enzyme activity resulted in the liberation of free pNA at 405 nm. Reaction progress was monitored using a Molecular Devices SpectraMax Plus micro... | J Med Chem 49: 373-80 (2006) Article DOI: 10.1021/jm0507781 BindingDB Entry DOI: 10.7270/Q28W3BJH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dipeptidyl peptidase VIII (Homo sapiens (Human)) | BDBM11696 ((2S)-1-(2-{[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 4.17E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes | Assay Description The enzyme activity resulted in the liberation of free pNA at 405 nm. Reaction progress was monitored using a Molecular Devices SpectraMax Plus micro... | J Med Chem 49: 373-80 (2006) Article DOI: 10.1021/jm0507781 BindingDB Entry DOI: 10.7270/Q28W3BJH | |||||||||||
More data for this Ligand-Target Pair |