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Literature summary for 3.4.14.5 extracted from

  • Lam, B.; Zhang, Z.; Stafford, J.A.; Skene, R.J.; Shi, L.; Gwaltney, S.L.
    Structure-based design of pyridopyrimidinediones as dipeptidyl peptidase IV inhibitors (2012), Bioorg. Med. Chem. Lett., 22, 6628-6631.
    View publication on PubMed

Inhibitors

Inhibitors Comment Organism Structure
6-(aminomethyl)-1,3-dimethyl-7-(1-methylpiperazinium)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione compound exhibits low exposure, high clearance, high selectivity for dipeptidyl peptidase IV over dipeptidyleptidase DPP8 Homo sapiens
6-(aminomethyl)-1,3-dimethyl-7-(morpholin-4-yl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione compound exhibits excellent exposure, low clearance, high selectivity for dipeptidyl peptidase IV over dipeptidyleptidase DPP8 Homo sapiens
7-amino-6-(aminomethyl)-5-(2-bromo-5-fluorophenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione compound exhibits good exposure, moderate clearance, high selctivity for dipeptidyl peptidase IV over dipeptidyleptidase DPP8 Homo sapiens
7-amino-6-(aminomethyl)-5-(2-fluoro-6-methoxyphenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione compound exhibits good exposure, moderate clearance, high selectivity for dipeptidyl peptidase IV over dipeptidyleptidase DPP8 Homo sapiens
additional information interactions important for binding are the pi-pi stacking interaction of the pyridopyrimidine-dione ring with Tyr547, its H-bond interaction to the backbone NH of Tyr631 and the OH of Ser630, and polar interactions between the basic amine and Glu205, Glu206 and Tyr662, high selectivity for dipeptidyl peptidase IV over dipeptidyleptidase DPP8 Homo sapiens

Organism

Organism UniProt Comment Textmining
Homo sapiens P27487
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IC50 Value

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
0.0000046
-
pH not specified in the publication, temperature not specified in the publication Homo sapiens 6-(aminomethyl)-1,3-dimethyl-7-(morpholin-4-yl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione
0.0000048
-
pH not specified in the publication, temperature not specified in the publication Homo sapiens 7-amino-6-(aminomethyl)-5-(2-bromo-5-fluorophenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione
0.0000099
-
pH not specified in the publication, temperature not specified in the publication Homo sapiens 6-(aminomethyl)-1,3-dimethyl-7-(1-methylpiperazinium)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione
0.00002
-
pH not specified in the publication, temperature not specified in the publication Homo sapiens 7-amino-6-(aminomethyl)-5-(2-fluoro-6-methoxyphenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione