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
(728/728 = 100%)† (Homo sapiens (Human)) | BDBM50375237
(CHEMBL272114)Show SMILES Cn1cnc2cc(C#N)c(c(CN)c12)-c1ccccc1Cl |(-4.05,-1.64,;-3.57,-.17,;-4.48,1.07,;-3.57,2.32,;-2.11,1.84,;-.78,2.61,;.56,1.84,;1.89,2.61,;3.22,3.38,;.56,.3,;-.78,-.47,;-.78,-2.01,;-2.11,-2.78,;-2.11,.3,;1.89,-.47,;3.22,.3,;4.56,-.47,;4.56,-2.01,;3.22,-2.78,;1.89,-2.01,;.56,-2.78,)| Show InChI InChI=1S/C16H13ClN4/c1-21-9-20-14-6-10(7-18)15(12(8-19)16(14)21)11-4-2-3-5-13(11)17/h2-6,9H,8,19H2,1H3 | 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
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of dipeptidyl peptidase 4 (unknown origin) |
Citation and Details
Article DOI: 10.1007/s00044-012-0455-6 BindingDB Entry DOI: 10.7270/Q2HH6NZ4 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dipeptidyl peptidase 4
(728/728 = 100%)† (Homo sapiens (Human)) | BDBM50375237
(CHEMBL272114)Show SMILES Cn1cnc2cc(C#N)c(c(CN)c12)-c1ccccc1Cl |(-4.05,-1.64,;-3.57,-.17,;-4.48,1.07,;-3.57,2.32,;-2.11,1.84,;-.78,2.61,;.56,1.84,;1.89,2.61,;3.22,3.38,;.56,.3,;-.78,-.47,;-.78,-2.01,;-2.11,-2.78,;-2.11,.3,;1.89,-.47,;3.22,.3,;4.56,-.47,;4.56,-2.01,;3.22,-2.78,;1.89,-2.01,;.56,-2.78,)| Show InChI InChI=1S/C16H13ClN4/c1-21-9-20-14-6-10(7-18)15(12(8-19)16(14)21)11-4-2-3-5-13(11)17/h2-6,9H,8,19H2,1H3 | 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 | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda San Diego
Curated by ChEMBL
| Assay Description Inhibition of human DPP4 |
Bioorg Med Chem Lett 18: 2362-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.071 BindingDB Entry DOI: 10.7270/Q29P32GJ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |