Detailed information for compound 2259734

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 443.188 | Formula: C21H23F2N7O2
  • H donors: 1 H acceptors: 3 LogP: 1.46 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 0
  • SMILES: CCN1C(=O)Cn2c1nc1nc(n(c1c2=O)Cc1cc(F)ccc1F)N1CCC[C@@H](C1)N
  • InChi: InChI=1S/C21H23F2N7O2/c1-2-28-16(31)11-30-19(32)17-18(26-21(28)30)25-20(27-7-3-4-14(24)10-27)29(17)9-12-8-13(22)5-6-15(12)23/h5-6,8,14H,2-4,7,9-11,24H2,1H3/t14-/m0/s1
  • InChiKey: ULGAIQGMBBLSSH-AWEZNQCLSA-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
Schistosoma japonicum ko:K01278 dipeptidyl-peptidase 4, putative 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
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 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
Loa Loa (eye worm) prolyl oligopeptidase 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
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 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
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
Plasmodium falciparum hexose transporter 0.0057 0.216 0.2094
Leishmania major oligopeptidase B-like protein,serine peptidase, clan SC, family S9A-like protein 0.0017 0.0441 0.1366
Trypanosoma brucei glucose transporter, putative 0.0018 0.0493 0.1564
Echinococcus multilocularis prolyl endopeptidase 0.0017 0.0441 0.0423
Plasmodium falciparum calcium-dependent protein kinase 4 0.0018 0.0484 0.0404
Trypanosoma brucei glucose transporter, putative 0.0018 0.0493 0.1564
Giardia lamblia Prolyl-tRNA synthetase 0.0017 0.0469 1
Trypanosoma cruzi hexose transporter 0.0018 0.0493 0.1564
Schistosoma mansoni protein kinase 0.0018 0.0484 0.0473
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0057 0.216 0.2455
Plasmodium falciparum calcium-dependent protein kinase 5 0.0018 0.0484 0.0404
Schistosoma mansoni glucose transport protein 0.0057 0.216 0.2455
Mycobacterium tuberculosis Probable protease II PtrBb [second part] (oligopeptidase B) 0.0017 0.0441 1
Trypanosoma brucei THT1 - hexose transporter, putative 0.0018 0.0493 0.1564
Toxoplasma gondii facilitative glucose transporter GT1 0.0057 0.216 0.3201
Loa Loa (eye worm) hypothetical protein 0.0008 0.0084 0.005
Loa Loa (eye worm) hypothetical protein 0.0018 0.0484 0.052
Entamoeba histolytica prolyl-tRNA synthetase, putative 0.0017 0.0469 0.9253
Leishmania major glucose transporter, lmgt3 0.0018 0.0493 0.1564
Brugia malayi Bifunctional aminoacyl-tRNA synthetase 0.0017 0.0469 0.0455
Plasmodium falciparum calcium-dependent protein kinase 2 0.0018 0.0484 0.0404
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0057 0.216 0.2455
Loa Loa (eye worm) sugar transporter 0.0008 0.0084 0.005
Brugia malayi Calcium/calmodulin-dependent protein kinase type II alpha chain 0.0018 0.0484 0.0473
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0013 0.0283 0.6419
Echinococcus multilocularis solute carrier family 2, facilitated glucose 0.0057 0.216 0.2455
Loa Loa (eye worm) prolyl oligopeptidase 0.0017 0.0441 0.047
Trichomonas vaginalis Clan SC, family S9, acylaminoacyl-peptidase-like serine peptidase 0.0017 0.0441 0.1722
Trypanosoma brucei Alpha/beta hydrolase domain-containing protein 0.0017 0.0441 0.1366
Trypanosoma cruzi hexose transporter, putative 0.0018 0.0493 0.1564
Plasmodium vivax hypothetical protein, conserved 0.0017 0.0441 0.0361
Mycobacterium leprae Possible lysyl-tRNA synthetase 2 LysX 0.0013 0.0283 0.3046
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0018 0.0484 0.0473
Toxoplasma gondii dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein 0.007 0.2702 0.4036
Brugia malayi prolyl oligopeptidase family protein 0.0209 0.8543 1
Echinococcus multilocularis Dipeptidyl peptidase 9 0.007 0.2702 0.3095
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0017 0.0441 0.1722
Brugia malayi bifunctional aminoacyl-tRNA synthetase 0.0017 0.0469 0.0455
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.002 0.0589 0.193
Loa Loa (eye worm) hypothetical protein 0.0008 0.0084 0.005
Trypanosoma brucei bifunctional aminoacyl-tRNA synthetase, putative 0.002 0.0589 0.193
Entamoeba histolytica protein kinase, putative 0.0018 0.0484 1
Schistosoma mansoni glucose transport protein 0.0057 0.216 0.2455
Leishmania major glucose transporter/membrane transporter D2, putative 0.0018 0.0493 0.1564
Trypanosoma cruzi serine peptidase, Clan SC, Family S9B 0.007 0.2702 1
Plasmodium falciparum proline--tRNA ligase 0.002 0.0589 0.051
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.0209 0.8543 1
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.0017 0.0469 0.0455
Toxoplasma gondii acylaminoacyl-peptidase, putative 0.0017 0.0441 0.0551
Trypanosoma brucei glucose transporter, putative 0.0018 0.0493 0.1564
Mycobacterium ulcerans sugar transporter 0.0008 0.0084 0.1896
Trichomonas vaginalis conserved hypothetical protein 0.0057 0.216 1
Loa Loa (eye worm) hypothetical protein 0.0008 0.0084 0.005
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0017 0.0441 0.0423
Trichomonas vaginalis sugar transporter, putative 0.0018 0.0493 0.1973
Giardia lamblia Alanyl dipeptidyl peptidase 0.0017 0.0441 0.9285
Brugia malayi lysyl-tRNA synthetase 0.0013 0.0283 0.0236
Brugia malayi prolyl oligopeptidase family protein 0.0017 0.0441 0.0423
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0017 0.0441 0.0423
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0018 0.0484 0.0473
Schistosoma mansoni dipeptidyl-peptidase 9 (S09 family) 0.007 0.2702 0.3095
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0018 0.0484 0.0473
Trichomonas vaginalis sugar transporter, putative 0.0018 0.0493 0.1973
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.0209 0.8543 1
Trypanosoma brucei glucose transporter, putative 0.0018 0.0493 0.1564
Schistosoma mansoni protein kinase 0.0018 0.0484 0.0473
Mycobacterium leprae Probable prolyl tRNA synthetase ProS 0.0017 0.0469 1
Trypanosoma brucei oligopeptidase b 0.0017 0.0441 0.1366
Echinococcus granulosus calcium dependent protein kinase 0.0017 0.0438 0.0419
Trypanosoma cruzi dipeptidyl-peptidase 8-like serine peptidase 0.007 0.2702 1
Chlamydia trachomatis lysine--tRNA ligase 0.0013 0.0283 1
Trichomonas vaginalis sugar transporter, putative 0.0018 0.0493 0.1973
Plasmodium falciparum peptidase, putative 0.0017 0.0441 0.0361
Trichomonas vaginalis CAMK family protein kinase 0.0018 0.0484 0.1927
Brugia malayi prolyl oligopeptidase family protein 0.0017 0.0441 0.0423
Schistosoma mansoni lysyl-tRNA synthetase 0.0013 0.0283 0.0236
Trypanosoma brucei serine peptidase, clan SC, family S9A-like protein 0.0017 0.0441 0.1366
Leishmania major oligopeptidase b 0.0017 0.0441 0.1366
Loa Loa (eye worm) major facilitator superfamily transporter 0.0008 0.0084 0.005
Plasmodium vivax hexose transporter 0.0057 0.216 0.2094
Loa Loa (eye worm) hypothetical protein 0.0017 0.0441 0.047
Trypanosoma brucei Dipeptidyl-peptidase 8-like, putative 0.007 0.2702 1
Loa Loa (eye worm) hypothetical protein 0.0008 0.0084 0.005
Echinococcus granulosus glutamyl tRNA synthetase cytoplasmic 0.0017 0.0469 0.0455
Leishmania major dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B 0.007 0.2702 1
Trypanosoma brucei calcium/calmodulin-dependent protein kinase, putative 0.0018 0.0484 0.1528
Loa Loa (eye worm) major facilitator superfamily transporter 0.0008 0.0084 0.005
Trichomonas vaginalis glucose transporter, putative 0.0018 0.0493 0.1973
Trypanosoma cruzi hexose transporter, putative 0.0018 0.0493 0.1564
Loa Loa (eye worm) hypothetical protein 0.0008 0.0084 0.005
Schistosoma mansoni glucose transport protein 0.0057 0.216 0.2455
Wolbachia endosymbiont of Brugia malayi major facilitator superfamily permease 0.0008 0.0084 0.5
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 0.0209 0.8543 1
Loa Loa (eye worm) CAMK/CAMK2 protein kinase 0.0018 0.0484 0.052
Toxoplasma gondii prolyl-tRNA synthetase (ProRS) 0.002 0.0589 0.0779
Schistosoma mansoni lysyl-tRNA synthetase 0.0013 0.0283 0.0236
Trypanosoma brucei glucose transporter 1E 0.0018 0.0493 0.1564
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.002 0.0589 0.193
Loa Loa (eye worm) prolyl oligopeptidase 0.0209 0.8543 1
Toxoplasma gondii protein kinase, putative 0.0162 0.6571 1
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0057 0.216 0.2455
Mycobacterium leprae PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B) 0.0017 0.0441 0.8969
Entamoeba histolytica dipeptidyl-peptidase, putative 0.0017 0.0441 0.7881
Loa Loa (eye worm) sugar transporter 0.0057 0.216 0.2492
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.0013 0.0283 0.0961
Brugia malayi prolyl oligopeptidase family protein 0.007 0.2702 0.3095
Plasmodium falciparum protein kinase 7 0.0162 0.6571 0.6542
Toxoplasma gondii cell-cycle-associated protein kinase MAPK, putative 0.0093 0.3649 0.5495
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0013 0.0283 0.6419
Loa Loa (eye worm) hypothetical protein 0.0054 0.2005 0.2309
Trichomonas vaginalis conserved hypothetical protein 0.0018 0.0493 0.1973
Trypanosoma cruzi lysyl-tRNA synthetase, putative 0.0013 0.0283 0.0762
Echinococcus multilocularis lysyl tRNA synthetase 0.0013 0.0283 0.0236
Toxoplasma gondii prolyl endopeptidase 0.0017 0.0441 0.0551
Trypanosoma brucei lysyl-tRNA synthetase, putative 0.0013 0.0283 0.0762
Schistosoma mansoni serine/threonine protein kinase 0.0018 0.0484 0.0473
Mycobacterium ulcerans integral membrane transport protein 0.0008 0.0084 0.1896
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.002 0.0589 0.193
Leishmania major glucose transporter, lmgt1 0.0018 0.0493 0.1564
Entamoeba histolytica prolyl oligopeptidase family protein 0.0017 0.0441 0.7881
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.002 0.0589 0.193
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.0017 0.0469 0.0455
Trichomonas vaginalis glucose transporter, putative 0.0018 0.0493 0.1973
Mycobacterium ulcerans protease II (oligopeptidase B), PtrB 0.0017 0.0441 1
Entamoeba histolytica prolyl oligopeptidase family protein 0.0017 0.0441 0.7881
Loa Loa (eye worm) hypothetical protein 0.0013 0.0283 0.0284
Trypanosoma cruzi serine peptidase, clan SC, family S9A-like protein, putative 0.0017 0.0441 0.1366
Echinococcus granulosus General substrate transporter 0.0049 0.1821 0.2053
Entamoeba histolytica protein kinase, putative 0.0018 0.0484 1
Plasmodium vivax calcium-dependent protein kinase 1, putative 0.0018 0.0484 0.0404
Trypanosoma brucei serine peptidase, Clan SC, Family S9B 0.007 0.2702 1
Trypanosoma brucei glucose transporter 2A 0.0018 0.0493 0.1564
Trypanosoma brucei THT1 - hexose transporter, putative 0.0018 0.0493 0.1564
Schistosoma mansoni acylaminoacyl-peptidase (S09 family) 0.0017 0.0441 0.0423
Giardia lamblia Lysyl-tRNA synthetase 0.0013 0.0283 0.5182
Leishmania major protein kinase, putative 0.0018 0.0484 0.1528
Trypanosoma cruzi oligopeptidase b 0.0017 0.0441 0.1366
Loa Loa (eye worm) hypothetical protein 0.0008 0.0084 0.005
Mycobacterium tuberculosis Lysyl-tRNA synthetase 2 LysX 0.0011 0.0202 0.3308
Trichomonas vaginalis conserved hypothetical protein 0.0018 0.0493 0.1973
Trypanosoma cruzi hypothetical protein, conserved 0.0017 0.0441 0.1366
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0017 0.0441 0.0423
Trypanosoma brucei prolyl oligopeptidase, putative 0.0017 0.0441 0.1366
Plasmodium falciparum lysine--tRNA ligase 0.0013 0.0283 0.0201
Trypanosoma cruzi prolyl endopeptidase 0.0017 0.0441 0.1366
Trypanosoma cruzi hexose transporter, putative 0.0018 0.0493 0.1564
Leishmania major glucose transporter, lmgt2 0.0018 0.0493 0.1564
Loa Loa (eye worm) hypothetical protein 0.0008 0.0084 0.005
Toxoplasma gondii calcium-dependent protein kinase CDPK2B 0.0018 0.0484 0.0617
Trypanosoma cruzi oligopeptidase b 0.0017 0.0441 0.1366
Loa Loa (eye worm) hypothetical protein 0.0017 0.0441 0.047
Toxoplasma gondii calcium-dependent protein kinase CDPK3 0.0018 0.0484 0.0617
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0018 0.0484 0.0473
Plasmodium vivax calcium-dependent protein kinase 4, putative 0.0018 0.0484 0.0404
Plasmodium vivax calcium-dependent protein kinase, putative 0.0018 0.0484 0.0404
Leishmania major lysyl-tRNA synthetase, putative 0.0013 0.0283 0.0762
Trypanosoma brucei glucose transporter, putative 0.0018 0.0493 0.1564
Leishmania major prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative 0.0017 0.0441 0.1366
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0057 0.216 0.2455
Loa Loa (eye worm) hypothetical protein 0.0008 0.0084 0.005
Loa Loa (eye worm) hypothetical protein 0.0008 0.0084 0.005
Plasmodium falciparum calcium-dependent protein kinase 1 0.0018 0.0484 0.0404
Toxoplasma gondii lysine-tRNA ligase 0.0013 0.0283 0.0308
Entamoeba histolytica dipeptidyl-peptidase, putative 0.0017 0.0441 0.7881
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0018 0.0484 0.0473
Loa Loa (eye worm) hypothetical protein 0.0017 0.0469 0.0503
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0057 0.216 0.2455
Trypanosoma brucei prolyl endopeptidase 0.0017 0.0441 0.1366
Trichomonas vaginalis conserved hypothetical protein 0.0017 0.0441 0.1722
Trypanosoma cruzi oligopeptidase B-like protein, putative 0.0017 0.0441 0.1366
Trypanosoma cruzi hexose transporter, putative 0.001 0.0154 0.0267
Brugia malayi prolyl oligopeptidase family protein 0.0017 0.0441 0.0423
Mycobacterium tuberculosis Probable peptidase 0.0017 0.0441 1
Toxoplasma gondii hypothetical protein 0.0017 0.0441 0.0551
Mycobacterium ulcerans fusion protein of transposase for IS2606 and sialic acid-transport integral membrane protein NanT 0.0008 0.0084 0.1896
Trypanosoma brucei glucose transporter, putative 0.0018 0.0493 0.1564
Onchocerca volvulus Prolyl endopeptidase homolog 0.0017 0.0441 0.0423
Trypanosoma brucei THT1 - hexose transporter, putative 0.0018 0.0493 0.1564
Echinococcus granulosus acylamino acid releasing enzyme 0.0017 0.0441 0.0423
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.0209 0.8543 1
Treponema pallidum prolyl-tRNA synthetase 0.0006 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0008 0.0084 0.005
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0057 0.216 0.2455
Plasmodium vivax calcium-dependent protein kinase 3, putative 0.0018 0.0484 0.0404
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0018 0.0484 0.0473
Echinococcus multilocularis General substrate transporter 0.0049 0.1821 0.2053
Brugia malayi Cam kinase protein 1 0.0018 0.0484 0.0473
Trypanosoma brucei glucose transporter, putative 0.0018 0.0493 0.1564
Trypanosoma brucei glucose transporter, putative 0.0018 0.0493 0.1564
Toxoplasma gondii calcium-dependent protein kinase CDPK2A 0.0018 0.0484 0.0617
Plasmodium vivax proline--tRNA ligase, putative 0.002 0.0589 0.051
Entamoeba histolytica hypothetical protein, conserved 0.0017 0.0441 0.7881
Plasmodium vivax lysine--tRNA ligase, putative 0.0013 0.0283 0.0201
Loa Loa (eye worm) hypothetical protein 0.0008 0.0084 0.005
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 1 0.0018 0.0484 0.0473
Loa Loa (eye worm) hypothetical protein 0.0017 0.0469 0.0503
Echinococcus granulosus Dipeptidyl peptidase 9 0.007 0.2702 0.3095
Echinococcus multilocularis calcium dependent protein kinase 0.0017 0.0438 0.0419
Loa Loa (eye worm) hypothetical protein 0.0014 0.0333 0.0343
Entamoeba histolytica prolyl oligopeptidase family protein 0.0017 0.0441 0.7881
Echinococcus granulosus prolyl endopeptidase 0.0017 0.0441 0.0423
Trichomonas vaginalis prolyl-tRNA synthetase, putative 0.0017 0.0469 0.1855
Plasmodium vivax CDK-related protein kinase 6, putative 0.0244 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0017 0.0441 0.1366
Mycobacterium ulcerans sugar-transport integral membrane protein SugI 0.0008 0.0084 0.1896
Loa Loa (eye worm) hypothetical protein 0.0008 0.0084 0.005
Brugia malayi Sugar transporter family protein 0.0057 0.216 0.2455
Mycobacterium tuberculosis Lysyl-tRNA synthetase 1 LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase) 0.0011 0.0202 0.3308
Loa Loa (eye worm) calcium/calmodulin-dependent protein kinase ID 0.0018 0.0484 0.052
Plasmodium falciparum mitogen-activated protein kinase 2 0.0093 0.3649 0.3595
Schistosoma mansoni protein kinase 0.0018 0.0484 0.0473
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0018 0.0484 0.0473
Echinococcus granulosus lysyl tRNA synthetase 0.0013 0.0283 0.0236
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.0011 0.0217 0.0641
Schistosoma mansoni hypothetical protein 0.0057 0.216 0.2455
Giardia lamblia Alanyl dipeptidyl peptidase 0.0017 0.0441 0.9285
Brugia malayi hypothetical protein 0.0054 0.2005 0.2271
Loa Loa (eye worm) hypothetical protein 0.0008 0.0084 0.005
Loa Loa (eye worm) hypothetical protein 0.0008 0.0084 0.005
Plasmodium vivax mitogen-activated protein kinase 2, putative 0.0093 0.3649 0.3595
Loa Loa (eye worm) hypothetical protein 0.0008 0.0084 0.005
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0057 0.216 0.2455
Echinococcus multilocularis acylamino acid releasing enzyme 0.0017 0.0441 0.0423
Plasmodium falciparum calcium-dependent protein kinase 3 0.0018 0.0484 0.0404
Echinococcus multilocularis glutamyl tRNA synthetase cytoplasmic 0.0017 0.0469 0.0455
Loa Loa (eye worm) hypothetical protein 0.0017 0.0441 0.047

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 625 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) = 625 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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