Found 2 hits Enzyme Inhibition Constant Data Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Dipeptidyl peptidase 4
(765/766 > 99%)† (Homo sapiens (Human)) | BDBM50221970
((2S,3S)-2-((1r,4S)-4-([1,2,4]triazolo[1,5-a]pyridi...)Show SMILES CN(C)C(=O)[C@H]([C@H](N)C(=O)N1CCC(F)(F)C1)[C@H]1CC[C@@H](CC1)c1ccc2ncnn2c1 |wU:6.6,17.23,wD:20.24,5.4,(24.12,-9.73,;24.12,-11.27,;22.79,-12.05,;25.46,-12.04,;26.79,-11.26,;25.47,-13.58,;26.8,-14.34,;26.81,-15.88,;28.13,-13.57,;28.13,-12.03,;29.47,-14.33,;30.88,-13.7,;31.91,-14.84,;31.15,-16.18,;30.74,-17.66,;32.67,-16.4,;29.64,-15.86,;24.14,-14.35,;24.14,-15.9,;22.8,-16.67,;21.47,-15.9,;21.47,-14.36,;22.8,-13.59,;20.14,-16.67,;20.14,-18.21,;18.81,-18.98,;17.47,-18.21,;16,-18.69,;15.09,-17.44,;15.99,-16.18,;17.47,-16.66,;18.81,-15.9,)| Show InChI InChI=1S/C22H30F2N6O2/c1-28(2)20(31)18(19(25)21(32)29-10-9-22(23,24)12-29)15-5-3-14(4-6-15)16-7-8-17-26-13-27-30(17)11-16/h7-8,11,13-15,18-19H,3-6,9-10,12,25H2,1-2H3/t14-,15-,18-,19-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL DrugBank PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 4.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human DPP4 |
Bioorg Med Chem Lett 17: 5806-11 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.049 BindingDB Entry DOI: 10.7270/Q2251HXN |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dipeptidyl peptidase 4
(765/766 > 99%)† (Homo sapiens (Human)) | BDBM50221970
((2S,3S)-2-((1r,4S)-4-([1,2,4]triazolo[1,5-a]pyridi...)Show SMILES CN(C)C(=O)[C@H]([C@H](N)C(=O)N1CCC(F)(F)C1)[C@H]1CC[C@@H](CC1)c1ccc2ncnn2c1 |wU:6.6,17.23,wD:20.24,5.4,(24.12,-9.73,;24.12,-11.27,;22.79,-12.05,;25.46,-12.04,;26.79,-11.26,;25.47,-13.58,;26.8,-14.34,;26.81,-15.88,;28.13,-13.57,;28.13,-12.03,;29.47,-14.33,;30.88,-13.7,;31.91,-14.84,;31.15,-16.18,;30.74,-17.66,;32.67,-16.4,;29.64,-15.86,;24.14,-14.35,;24.14,-15.9,;22.8,-16.67,;21.47,-15.9,;21.47,-14.36,;22.8,-13.59,;20.14,-16.67,;20.14,-18.21,;18.81,-18.98,;17.47,-18.21,;16,-18.69,;15.09,-17.44,;15.99,-16.18,;17.47,-16.66,;18.81,-15.9,)| Show InChI InChI=1S/C22H30F2N6O2/c1-28(2)20(31)18(19(25)21(32)29-10-9-22(23,24)12-29)15-5-3-14(4-6-15)16-7-8-17-26-13-27-30(17)11-16/h7-8,11,13-15,18-19H,3-6,9-10,12,25H2,1-2H3/t14-,15-,18-,19-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL DrugBank PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human DPP4 in presence of 50 % human serum |
Bioorg Med Chem Lett 17: 5806-11 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.049 BindingDB Entry DOI: 10.7270/Q2251HXN |
More data for this Ligand-Target Pair | 3D Structure (crystal) |