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Target
Dipeptidyl peptidase 8
Ligand
BDBM50447700
Substrate
n/a
Meas. Tech.
ChEMBL_1289678 (CHEMBL3118376)
IC50
>30000±n/a nM
Citation
 Namoto, K; Sirockin, F; Ostermann, N; Gessier, F; Flohr, S; Sedrani, R; Gerhartz, B; Trappe, J; Hassiepen, U; Duttaroy, A; Ferreira, S; Sutton, JM; Clark, DE; Fenton, G; Beswick, M; Baeschlin, DK Discovery of C-(1-aryl-cyclohexyl)-methylamines as selective, orally available inhibitors of dipeptidyl peptidase IV. Bioorg Med Chem Lett 24:731-6 (2014) [PubMed]  Article
Target
Name:
Dipeptidyl peptidase 8
Synonyms:
DPP8 | DPP8_HUMAN | DPRP-1 | DPRP1 | Dipeptidyl peptidase 8 (DPP-8) | Dipeptidyl peptidase 8 (DPP8) | Dipeptidyl peptidase 8/9 | Dipeptidyl peptidase IV-related protein 1 | Dipeptidyl peptidase VIII | Dipeptidyl peptidase VIII (DDP-VIII) | Prolyl dipeptidase DPP8
Type:
Enzyme
Mol. Mass.:
103342.62
Organism:
Homo sapiens (Human)
Description:
Q6V1X1
Residue:
898
Sequence:
MWKRSEQMKIKSGKCNMAAAMETEQLGVEIFETADCEENIESQDRPKLEPFYVERYSWSQLKKLLADTRKYHGYMMAKAPHDFMFVKRNDPDGPHSDRIYYLAMSGENRENTLFYSEIPKTINRAAVLMLSWKPLLDLFQATLDYGMYSREEELLRERKRIGTVGIASYDYHQGSGTFLFQAGSGIYHVKDGGPQGFTQQPLRPNLVETSCPNIRMDPKLCPADPDWIAFIHSNDIWISNIVTREERRLTYVHNELANMEEDARSAGVATFVLQEEFDRYSGYWWCPKAETTPSGGKILRILYEENDESEVEIIHVTSPMLETRRADSFRYPKTGTANPKVTFKMSEIMIDAEGRIIDVIDKELIQPFEILFEGVEYIARAGWTPEGKYAWSILLDRSQTRLQIVLISPELFIPVEDDVMERQRLIESVPDSVTPLIIYEETTDIWINIHDIFHVFPQSHEEEIEFIFASECKTGFRHLYKITSILKESKYKRSSGGLPAPSDFKCPIKEEIAITSGEWEVLGRHGSNIQVDEVRRLVYFEGTKDSPLEHHLYVVSYVNPGEVTRLTDRGYSHSCCISQHCDFFISKYSNQKNPHCVSLYKLSSPEDDPTCKTKEFWATILDSAGPLPDYTPPEIFSFESTTGFTLYGMLYKPHDLQPGKKYPTVLFIYGGPQVQLVNNRFKGVKYFRLNTLASLGYVVVVIDNRGSCHRGLKFEGAFKYKMGQIEIDDQVEGLQYLASRYDFIDLDRVGIHGWSYGGYLSLMALMQRSDIFRVAIAGAPVTLWIFYDTGYTERYMGHPDQNEQGYYLGSVAMQAEKFPSEPNRLLLLHGFLDENVHFAHTSILLSFLVRAGKPYDLQIYPQERHSIRVPESGEHYELHLLHYLQENLGSRIAALKVI
  
Inhibitor
Name:
BDBM50447700
Synonyms:
CHEMBL3112971
Type:
Small organic molecule
Emp. Form.:
C24H28ClF3N4
Mol. Mass.:
464.954
SMILES:
NC[C@@]1(CC[C@@H](CC1)N1CCc2c(C1)nc(nc2C1CC1)C(F)(F)F)c1cccc(Cl)c1 |r,wU:2.28,wD:5.8,(2.86,-13.16,;1.54,-13.95,;1.58,-15.51,;2.88,-14.7,;4.24,-15.45,;4.28,-16.99,;2.96,-17.79,;1.61,-17.05,;5.63,-17.73,;5.65,-19.27,;7,-20.01,;8.32,-19.21,;8.29,-17.67,;6.93,-16.92,;9.59,-16.87,;10.94,-17.61,;10.98,-19.15,;9.66,-19.95,;9.69,-21.49,;8.96,-22.83,;10.5,-22.8,;12.25,-16.8,;13.6,-17.54,;12.21,-15.26,;13.58,-16.02,;.22,-14.78,;-1.11,-15.59,;-2.46,-14.85,;-2.49,-13.31,;-1.17,-12.51,;-1.21,-10.97,;.18,-13.24,)|
Structure:
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