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Target
Dipeptidyl peptidase 8
Ligand
BDBM50447691
Substrate
n/a
Meas. Tech.
ChEMBL_1289678 (CHEMBL3118376)
IC50
19400±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:
BDBM50447691
Synonyms:
CHEMBL3112959
Type:
Small organic molecule
Emp. Form.:
C23H24ClN3O
Mol. Mass.:
393.909
SMILES:
NC[C@@]1(CC[C@@H](CC1)n1nc(ccc1=O)-c1ccccc1)c1cccc(Cl)c1 |r,wU:2.23,wD:5.8,(10.38,-8.66,;9.06,-9.46,;9.09,-11.02,;10.4,-10.21,;11.75,-10.95,;11.79,-12.49,;10.48,-13.29,;9.13,-12.56,;13.14,-13.23,;13.17,-14.77,;14.51,-15.51,;15.83,-14.72,;15.8,-13.18,;14.45,-12.43,;14.41,-10.89,;14.54,-17.05,;13.22,-17.84,;13.25,-19.37,;14.6,-20.12,;15.92,-19.32,;15.88,-17.78,;7.74,-10.29,;6.42,-11.1,;5.07,-10.36,;5.03,-8.82,;6.35,-8.02,;6.32,-6.48,;7.7,-8.75,)|
Structure:
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