Found 4 hits Enz. Inhib. hit(s) with Target = 'Dipeptidyl peptidase 4' and Ligand = 'BDBM50232504' 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
(Homo sapiens (Human)) | BDBM50232504
((2R)-4-[5,8-dimethyl-3-(trifluoromethyl)-5,6-dihyd...)Show SMILES CC1CN(C(C)c2nnc(n12)C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |w:1.0,4.4| Show InChI InChI=1S/C18H19F6N5O/c1-8-7-28(9(2)16-26-27-17(29(8)16)18(22,23)24)15(30)5-11(25)3-10-4-13(20)14(21)6-12(10)19/h4,6,8-9,11H,3,5,7,25H2,1-2H3/t8?,9?,11-/m1/s1 | 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 | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of DPP4 |
J Med Chem 51: 589-602 (2008)
Article DOI: 10.1021/jm070330v BindingDB Entry DOI: 10.7270/Q2B27W4M |
More data for this Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50232504
((2R)-4-[5,8-dimethyl-3-(trifluoromethyl)-5,6-dihyd...)Show SMILES CC1CN(C(C)c2nnc(n12)C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |w:1.0,4.4| Show InChI InChI=1S/C18H19F6N5O/c1-8-7-28(9(2)16-26-27-17(29(8)16)18(22,23)24)15(30)5-11(25)3-10-4-13(20)14(21)6-12(10)19/h4,6,8-9,11H,3,5,7,25H2,1-2H3/t8?,9?,11-/m1/s1 | 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 | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of DPP4 |
J Med Chem 51: 589-602 (2008)
Article DOI: 10.1021/jm070330v BindingDB Entry DOI: 10.7270/Q2B27W4M |
More data for this Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50232504
((2R)-4-[5,8-dimethyl-3-(trifluoromethyl)-5,6-dihyd...)Show SMILES CC1CN(C(C)c2nnc(n12)C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |w:1.0,4.4| Show InChI InChI=1S/C18H19F6N5O/c1-8-7-28(9(2)16-26-27-17(29(8)16)18(22,23)24)15(30)5-11(25)3-10-4-13(20)14(21)6-12(10)19/h4,6,8-9,11H,3,5,7,25H2,1-2H3/t8?,9?,11-/m1/s1 | 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 | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of DPP4 |
J Med Chem 51: 589-602 (2008)
Article DOI: 10.1021/jm070330v BindingDB Entry DOI: 10.7270/Q2B27W4M |
More data for this Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50232504
((2R)-4-[5,8-dimethyl-3-(trifluoromethyl)-5,6-dihyd...)Show SMILES CC1CN(C(C)c2nnc(n12)C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |w:1.0,4.4| Show InChI InChI=1S/C18H19F6N5O/c1-8-7-28(9(2)16-26-27-17(29(8)16)18(22,23)24)15(30)5-11(25)3-10-4-13(20)14(21)6-12(10)19/h4,6,8-9,11H,3,5,7,25H2,1-2H3/t8?,9?,11-/m1/s1 | 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 | 209 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of DPP4 |
J Med Chem 51: 589-602 (2008)
Article DOI: 10.1021/jm070330v BindingDB Entry DOI: 10.7270/Q2B27W4M |
More data for this Ligand-Target Pair | |