Detailed information for compound 2204699

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 355.176 | Formula: C17H21N7O2
  • H donors: 1 H acceptors: 3 LogP: 0.03 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 0
  • SMILES: CC#CCn1c(nc2c1c(=O)n1c(n2)N(C(=O)C1)C)N1CCC[C@@H](C1)N
  • InChi: InChI=1S/C17H21N7O2/c1-3-4-8-23-13-14(20-17(23)22-7-5-6-11(18)9-22)19-16-21(2)12(25)10-24(16)15(13)26/h11H,5-10,18H2,1-2H3/t11-/m0/s1
  • InChiKey: PPMZXTYNICRHMC-NSHDSACASA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens dipeptidyl-peptidase 4 No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans dipeptidyl aminopeptidase B Get druggable targets OG5_128614 All targets in OG5_128614
Echinococcus granulosus dipeptidyl aminopeptidaseprotein Get druggable targets OG5_128614 All targets in OG5_128614
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) Get druggable targets OG5_128614 All targets in OG5_128614
Loa Loa (eye worm) prolyl oligopeptidase Get druggable targets OG5_128614 All targets in OG5_128614
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog Get druggable targets OG5_128614 All targets in OG5_128614
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein Get druggable targets OG5_128614 All targets in OG5_128614
Brugia malayi prolyl oligopeptidase family protein Get druggable targets OG5_128614 All targets in OG5_128614
Candida albicans dipeptidyl aminopeptidase B Get druggable targets OG5_128614 All targets in OG5_128614
Schistosoma japonicum ko:K01278 dipeptidyl-peptidase 4, putative Get druggable targets OG5_128614 All targets in OG5_128614
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Entamoeba histolytica hypothetical protein, conserved 0.0017 0.0481 0.9837
Toxoplasma gondii acylaminoacyl-peptidase, putative 0.0017 0.0481 0.0612
Trichomonas vaginalis sugar transporter, putative 0.0017 0.0493 0.1973
Loa Loa (eye worm) hypothetical protein 0.0016 0.0469 0.0475
Trichomonas vaginalis conserved hypothetical protein 0.0017 0.0493 0.1973
Loa Loa (eye worm) hypothetical protein 0.0008 0.0084 0.0047
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0054 0.216 0.2319
Brugia malayi hypothetical protein 0.0054 0.2132 0.2288
Brugia malayi lysyl-tRNA synthetase 0.0012 0.0283 0.0223
Schistosoma mansoni acylaminoacyl-peptidase (S09 family) 0.0017 0.0481 0.0443
Loa Loa (eye worm) hypothetical protein 0.0008 0.0084 0.0047
Brugia malayi Sugar transporter family protein 0.0054 0.216 0.2319
Entamoeba histolytica dipeptidyl-peptidase, putative 0.0017 0.0481 0.9837
Trypanosoma brucei glucose transporter, putative 0.0017 0.0493 0.1471
Trypanosoma cruzi serine peptidase, clan SC, family S9A-like protein, putative 0.0017 0.0481 0.1425
Plasmodium vivax hexose transporter 0.0054 0.216 0.2094
Trypanosoma cruzi oligopeptidase B-like protein, putative 0.0017 0.0481 0.1425
Trypanosoma brucei glucose transporter, putative 0.0017 0.0493 0.1471
Trichomonas vaginalis sugar transporter, putative 0.0017 0.0493 0.1973
Mycobacterium ulcerans protease II (oligopeptidase B), PtrB 0.0017 0.0481 1
Trypanosoma cruzi hypothetical protein, conserved 0.0017 0.0481 0.1425
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0054 0.216 0.2319
Plasmodium falciparum calcium-dependent protein kinase 2 0.0017 0.0484 0.0404
Giardia lamblia Alanyl dipeptidyl peptidase 0.0017 0.0481 1
Leishmania major glucose transporter, lmgt1 0.0017 0.0493 0.1471
Echinococcus multilocularis solute carrier family 2, facilitated glucose 0.0054 0.216 0.2319
Trypanosoma brucei glucose transporter, putative 0.0017 0.0493 0.1471
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0017 0.0481 0.0443
Trichomonas vaginalis CAMK family protein kinase 0.0017 0.0484 0.1927
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 0.0209 0.9038 1
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0019 0.0589 0.1814
Trypanosoma cruzi serine peptidase, Clan SC, Family S9B 0.007 0.2869 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0481 0.0488
Loa Loa (eye worm) hypothetical protein 0.0008 0.0084 0.0047
Entamoeba histolytica prolyl-tRNA synthetase, putative 0.0016 0.0469 0.9253
Mycobacterium leprae Probable prolyl tRNA synthetase ProS 0.0016 0.0469 0.958
Trypanosoma cruzi lysyl-tRNA synthetase, putative 0.0012 0.0283 0.0717
Loa Loa (eye worm) calcium/calmodulin-dependent protein kinase ID 0.0017 0.0484 0.0492
Trypanosoma cruzi oligopeptidase b 0.0017 0.0481 0.1425
Leishmania major protein kinase, putative 0.0017 0.0484 0.1437
Leishmania major oligopeptidase b 0.0017 0.0481 0.1425
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.0019 0.0589 0.1814
Trypanosoma brucei serine peptidase, clan SC, family S9A-like protein 0.0017 0.0481 0.1425
Brugia malayi Cam kinase protein 1 0.0017 0.0484 0.0447
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0054 0.216 0.2319
Trypanosoma brucei bifunctional aminoacyl-tRNA synthetase, putative 0.0019 0.0589 0.1814
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0017 0.0484 0.0447
Loa Loa (eye worm) hypothetical protein 0.0008 0.0084 0.0047
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.0209 0.9038 1
Trypanosoma brucei serine peptidase, Clan SC, Family S9B 0.007 0.2869 1
Echinococcus granulosus Dipeptidyl peptidase 9 0.007 0.2869 0.311
Toxoplasma gondii calcium-dependent protein kinase CDPK2A 0.0017 0.0484 0.0617
Giardia lamblia Alanyl dipeptidyl peptidase 0.0017 0.0481 1
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 1 0.0017 0.0484 0.0447
Leishmania major glucose transporter/membrane transporter D2, putative 0.0017 0.0493 0.1471
Leishmania major lysyl-tRNA synthetase, putative 0.0012 0.0283 0.0717
Echinococcus granulosus prolyl endopeptidase 0.0017 0.0481 0.0443
Loa Loa (eye worm) hypothetical protein 0.0017 0.0481 0.0488
Trichomonas vaginalis prolyl-tRNA synthetase, putative 0.0016 0.0469 0.1855
Schistosoma mansoni serine/threonine protein kinase 0.0017 0.0484 0.0447
Schistosoma mansoni dipeptidyl-peptidase 9 (S09 family) 0.007 0.2869 0.311
Loa Loa (eye worm) hypothetical protein 0.0012 0.0283 0.0269
Trypanosoma brucei glucose transporter, putative 0.0017 0.0493 0.1471
Trypanosoma brucei THT1 - hexose transporter, putative 0.0017 0.0493 0.1471
Plasmodium falciparum calcium-dependent protein kinase 3 0.0017 0.0484 0.0404
Plasmodium vivax hypothetical protein, conserved 0.0017 0.0481 0.04
Loa Loa (eye worm) hypothetical protein 0.0008 0.0084 0.0047
Loa Loa (eye worm) sugar transporter 0.0054 0.216 0.2355
Loa Loa (eye worm) CAMK/CAMK2 protein kinase 0.0017 0.0484 0.0492
Loa Loa (eye worm) hypothetical protein 0.0017 0.0484 0.0492
Trypanosoma brucei Dipeptidyl-peptidase 8-like, putative 0.007 0.2869 1
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0017 0.0484 0.0447
Loa Loa (eye worm) prolyl oligopeptidase 0.0209 0.9038 1
Trypanosoma brucei glucose transporter, putative 0.0017 0.0493 0.1471
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0012 0.0283 0.5895
Trypanosoma brucei glucose transporter 2A 0.0017 0.0493 0.1471
Toxoplasma gondii prolyl-tRNA synthetase (ProRS) 0.0019 0.0589 0.0779
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.0209 0.9038 1
Plasmodium falciparum protein kinase 7 0.0154 0.6571 0.6542
Plasmodium vivax proline--tRNA ligase, putative 0.0019 0.0589 0.051
Entamoeba histolytica dipeptidyl-peptidase, putative 0.0017 0.0481 0.9837
Loa Loa (eye worm) hypothetical protein 0.0008 0.0084 0.0047
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.0209 0.9038 1
Loa Loa (eye worm) hypothetical protein 0.0008 0.0084 0.0047
Loa Loa (eye worm) hypothetical protein 0.0017 0.0481 0.0488
Trichomonas vaginalis conserved hypothetical protein 0.0054 0.216 1
Plasmodium vivax lysine--tRNA ligase, putative 0.0012 0.0283 0.0201
Loa Loa (eye worm) hypothetical protein 0.0054 0.2132 0.2324
Plasmodium falciparum hexose transporter 0.0054 0.216 0.2094
Plasmodium falciparum mitogen-activated protein kinase 2 0.0088 0.3649 0.3595
Trypanosoma brucei glucose transporter, putative 0.0017 0.0493 0.1471
Mycobacterium leprae Possible lysyl-tRNA synthetase 2 LysX 0.0012 0.0283 0.2918
Echinococcus multilocularis Dipeptidyl peptidase 9 0.007 0.2869 0.311
Toxoplasma gondii protein kinase, putative 0.0154 0.6571 1
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0054 0.216 0.2319
Trypanosoma brucei calcium/calmodulin-dependent protein kinase, putative 0.0017 0.0484 0.1437
Mycobacterium leprae PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B) 0.0017 0.0481 1
Leishmania major glucose transporter, lmgt3 0.0017 0.0493 0.1471
Loa Loa (eye worm) hypothetical protein 0.0008 0.0084 0.0047
Plasmodium falciparum peptidase, putative 0.0017 0.0481 0.04
Schistosoma mansoni glucose transport protein 0.0054 0.216 0.2319
Echinococcus granulosus lysyl tRNA synthetase 0.0012 0.0283 0.0223
Trypanosoma brucei prolyl oligopeptidase, putative 0.0017 0.0481 0.1425
Trypanosoma cruzi hexose transporter, putative 0.0017 0.0493 0.1471
Loa Loa (eye worm) hypothetical protein 0.0008 0.0084 0.0047
Trypanosoma cruzi hypothetical protein, conserved 0.0017 0.0481 0.1425
Toxoplasma gondii dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein 0.007 0.2869 0.4293
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0017 0.0484 0.0447
Mycobacterium ulcerans sugar transporter 0.0008 0.0084 0.1742
Brugia malayi prolyl oligopeptidase family protein 0.007 0.2869 0.311
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0017 0.0481 0.0443
Entamoeba histolytica protein kinase, putative 0.0017 0.0484 1
Echinococcus multilocularis acylamino acid releasing enzyme 0.0017 0.0481 0.0443
Mycobacterium tuberculosis Probable protease II PtrBb [second part] (oligopeptidase B) 0.0017 0.0481 1
Trypanosoma cruzi dipeptidyl-peptidase 8-like serine peptidase 0.007 0.2869 1
Trypanosoma brucei THT1 - hexose transporter, putative 0.0017 0.0493 0.1471
Toxoplasma gondii calcium-dependent protein kinase CDPK2B 0.0017 0.0484 0.0617
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0017 0.0484 0.0447
Schistosoma mansoni protein kinase 0.0017 0.0484 0.0447
Schistosoma mansoni protein kinase 0.0017 0.0484 0.0447
Mycobacterium tuberculosis Lysyl-tRNA synthetase 2 LysX 0.001 0.0202 0.2981
Echinococcus multilocularis lysyl tRNA synthetase 0.0012 0.0283 0.0223
Trypanosoma cruzi hexose transporter, putative 0.0017 0.0493 0.1471
Loa Loa (eye worm) major facilitator superfamily transporter 0.0008 0.0084 0.0047
Chlamydia trachomatis lysine--tRNA ligase 0.0012 0.0283 1
Trichomonas vaginalis glucose transporter, putative 0.0017 0.0493 0.1973
Echinococcus granulosus calcium dependent protein kinase 0.0016 0.0438 0.0396
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.0019 0.0589 0.1814
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.0016 0.0469 0.043
Plasmodium falciparum proline--tRNA ligase 0.0019 0.0589 0.051
Trichomonas vaginalis Clan SC, family S9, acylaminoacyl-peptidase-like serine peptidase 0.0017 0.0481 0.1911
Schistosoma mansoni lysyl-tRNA synthetase 0.0012 0.0283 0.0223
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0012 0.0283 0.5895
Plasmodium falciparum calcium-dependent protein kinase 1 0.0017 0.0484 0.0404
Toxoplasma gondii lysine-tRNA ligase 0.0012 0.0283 0.0308
Mycobacterium ulcerans sugar-transport integral membrane protein SugI 0.0008 0.0084 0.1742
Trypanosoma brucei glucose transporter, putative 0.0017 0.0493 0.1471
Loa Loa (eye worm) hypothetical protein 0.0016 0.0469 0.0475
Echinococcus granulosus General substrate transporter 0.0047 0.1821 0.194
Brugia malayi prolyl oligopeptidase family protein 0.0017 0.0481 0.0443
Plasmodium falciparum lysine--tRNA ligase 0.0012 0.0283 0.0201
Plasmodium vivax calcium-dependent protein kinase, putative 0.0017 0.0484 0.0404
Plasmodium vivax calcium-dependent protein kinase 4, putative 0.0017 0.0484 0.0404
Toxoplasma gondii hypothetical protein 0.0017 0.0481 0.0612
Trichomonas vaginalis glucose transporter, putative 0.0017 0.0493 0.1973
Loa Loa (eye worm) hypothetical protein 0.0008 0.0084 0.0047
Echinococcus multilocularis calcium dependent protein kinase 0.0016 0.0438 0.0396
Trypanosoma brucei lysyl-tRNA synthetase, putative 0.0012 0.0283 0.0717
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0017 0.0484 0.0447
Entamoeba histolytica prolyl oligopeptidase family protein 0.0017 0.0481 0.9837
Schistosoma mansoni lysyl-tRNA synthetase 0.0012 0.0283 0.0223
Schistosoma mansoni glucose transport protein 0.0054 0.216 0.2319
Wolbachia endosymbiont of Brugia malayi major facilitator superfamily permease 0.0008 0.0084 0.5
Trypanosoma brucei oligopeptidase b 0.0017 0.0481 0.1425
Trypanosoma cruzi hexose transporter, putative 0.0017 0.0493 0.1471
Trypanosoma cruzi hexose transporter 0.0017 0.0493 0.1471
Trypanosoma brucei prolyl endopeptidase 0.0017 0.0481 0.1425
Toxoplasma gondii facilitative glucose transporter GT1 0.0054 0.216 0.3201
Loa Loa (eye worm) hypothetical protein 0.0008 0.0084 0.0047
Entamoeba histolytica prolyl oligopeptidase family protein 0.0017 0.0481 0.9837
Onchocerca volvulus Prolyl endopeptidase homolog 0.0017 0.0481 0.0443
Entamoeba histolytica protein kinase, putative 0.0017 0.0484 1
Echinococcus granulosus glutamyl tRNA synthetase cytoplasmic 0.0016 0.0469 0.043
Trichomonas vaginalis conserved hypothetical protein 0.0017 0.0493 0.1973
Trichomonas vaginalis conserved hypothetical protein 0.0017 0.0481 0.1911
Leishmania major prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative 0.0017 0.0481 0.1425
Plasmodium vivax calcium-dependent protein kinase 3, putative 0.0017 0.0484 0.0404
Trypanosoma brucei Alpha/beta hydrolase domain-containing protein 0.0017 0.0481 0.1425
Giardia lamblia Prolyl-tRNA synthetase 0.0016 0.0469 0.9705
Brugia malayi prolyl oligopeptidase family protein 0.0017 0.0481 0.0443
Echinococcus granulosus acylamino acid releasing enzyme 0.0017 0.0481 0.0443
Loa Loa (eye worm) prolyl oligopeptidase 0.0017 0.0481 0.0488
Giardia lamblia Lysyl-tRNA synthetase 0.0012 0.0283 0.5029
Plasmodium vivax calcium-dependent protein kinase 1, putative 0.0017 0.0484 0.0404
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0019 0.0589 0.1814
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0054 0.216 0.2319
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0017 0.0481 0.0443
Echinococcus multilocularis General substrate transporter 0.0047 0.1821 0.194
Entamoeba histolytica prolyl oligopeptidase family protein 0.0017 0.0481 0.9837
Echinococcus multilocularis prolyl endopeptidase 0.0017 0.0481 0.0443
Trypanosoma cruzi prolyl endopeptidase 0.0017 0.0481 0.1425
Plasmodium falciparum calcium-dependent protein kinase 5 0.0017 0.0484 0.0404
Leishmania major dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B 0.007 0.2869 1
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0017 0.0484 0.0447
Echinococcus multilocularis glutamyl tRNA synthetase cytoplasmic 0.0016 0.0469 0.043
Mycobacterium tuberculosis Probable peptidase 0.0017 0.0481 1
Loa Loa (eye worm) hypothetical protein 0.0013 0.0333 0.0324
Loa Loa (eye worm) hypothetical protein 0.0008 0.0084 0.0047
Mycobacterium ulcerans fusion protein of transposase for IS2606 and sialic acid-transport integral membrane protein NanT 0.0008 0.0084 0.1742
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0017 0.0484 0.0447
Trypanosoma cruzi hexose transporter, putative 0.0009 0.0154 0.0251
Brugia malayi Bifunctional aminoacyl-tRNA synthetase 0.0016 0.0469 0.043
Trypanosoma cruzi oligopeptidase b 0.0017 0.0481 0.1425
Toxoplasma gondii calcium-dependent protein kinase CDPK3 0.0017 0.0484 0.0617
Toxoplasma gondii prolyl endopeptidase 0.0017 0.0481 0.0612
Loa Loa (eye worm) hypothetical protein 0.0008 0.0084 0.0047
Treponema pallidum prolyl-tRNA synthetase 0.0006 0 0.5
Brugia malayi prolyl oligopeptidase family protein 0.0209 0.9038 1
Schistosoma mansoni protein kinase 0.0017 0.0484 0.0447
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.0016 0.0469 0.043
Trypanosoma brucei glucose transporter 1E 0.0017 0.0493 0.1471
Loa Loa (eye worm) sugar transporter 0.0008 0.0084 0.0047
Plasmodium vivax mitogen-activated protein kinase 2, putative 0.0088 0.3649 0.3595
Schistosoma mansoni hypothetical protein 0.0054 0.216 0.2319
Loa Loa (eye worm) major facilitator superfamily transporter 0.0008 0.0084 0.0047
Leishmania major oligopeptidase B-like protein,serine peptidase, clan SC, family S9A-like protein 0.0017 0.0481 0.1425
Leishmania major glucose transporter, lmgt2 0.0017 0.0493 0.1471
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0017 0.0481 0.1911
Plasmodium falciparum calcium-dependent protein kinase 4 0.0017 0.0484 0.0404
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.0011 0.0217 0.0641
Toxoplasma gondii cell-cycle-associated protein kinase MAPK, putative 0.0088 0.3649 0.5495
Trichomonas vaginalis sugar transporter, putative 0.0017 0.0493 0.1973
Trypanosoma brucei glucose transporter, putative 0.0017 0.0493 0.1471
Brugia malayi bifunctional aminoacyl-tRNA synthetase 0.0016 0.0469 0.043
Brugia malayi prolyl oligopeptidase family protein 0.0017 0.0481 0.0443
Plasmodium vivax CDK-related protein kinase 6, putative 0.0231 1 1
Loa Loa (eye worm) hypothetical protein 0.0008 0.0084 0.0047
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0054 0.216 0.2319
Mycobacterium ulcerans integral membrane transport protein 0.0008 0.0084 0.1742
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0054 0.216 0.2319
Brugia malayi Calcium/calmodulin-dependent protein kinase type II alpha chain 0.0017 0.0484 0.0447
Loa Loa (eye worm) hypothetical protein 0.0008 0.0084 0.0047
Schistosoma mansoni glucose transport protein 0.0054 0.216 0.2319
Mycobacterium tuberculosis Lysyl-tRNA synthetase 1 LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase) 0.001 0.0202 0.2981
Trypanosoma brucei THT1 - hexose transporter, putative 0.0017 0.0493 0.1471
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.0012 0.0283 0.0961

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 123 nM BindingDB_Patents: Enzyme Inhibition Assay. DPP4 activity was measured using a continuous fluorometric assay. The substrate, Gly-Pro-AMC, was cleaved by DPP4 to release the fluorescent AMC group. The reaction was monitored at the excitation wavelength of 360 nm and emission wavelength of 460 nm in a black 384-well plate using a PHERAstar Plus plate reader (BMG Labtech., Inc.) set at 37 C. The 30 ul assay solution contained 20 pM recombinant human DPP4 and 50 uM Gly-Pro-AMC substrate in assay buffer (100 mM HEPES, 100 mM NaCl, 0.1 mg/ml BSA, pH 7.5). The reaction was linear for at least 30 min (initial velocity) after addition of the substrate (no inhibitor control). All materials and reagents were pre-incubated at 37 C. prior to start of the experiment. Test compounds were serially diluted (3-fold) in 100% DMSO to avoid solubility issues; working solutions in 3% DMSO were prepared using assay buffer. 10 ul each of enzyme and compound solutions were mixed and pre-incubated at 37 C. for 30 minutes. ChEMBL. No reference
IC50 (binding) = 123 nM BindingDB_Patents: Enzyme Inhibition Assay. DPP4 activity was measured using a continuous fluorometric assay. The substrate, Gly-Pro-AMC, was cleaved by DPP4 to release the fluorescent AMC group. The reaction was monitored at the excitation wavelength of 360 nm and emission wavelength of 460 nm in a black 384-well plate using a PHERAstar Plus plate reader (BMG Labtech., Inc.) set at 37 C. The 30 ul assay solution contained 20 pM recombinant human DPP4 and 50 uM Gly-Pro-AMC substrate in assay buffer (100 mM HEPES, 100 mM NaCl, 0.1 mg/ml BSA, pH 7.5). The reaction was linear for at least 30 min (initial velocity) after addition of the substrate (no inhibitor control). All materials and reagents were pre-incubated at 37 C. prior to start of the experiment. Test compounds were serially diluted (3-fold) in 100% DMSO to avoid solubility issues; working solutions in 3% DMSO were prepared using assay buffer. 10 ul each of enzyme and compound solutions were mixed and pre-incubated at 37 C. for 30 minutes. ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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