Reaction Details Report a problem with these data
Target
Dipeptidyl peptidase 8
Ligand
BDBM50338440
Substrate
n/a
Meas. Tech.
ChEMBL_728291 (CHEMBL1687448)
IC50
170±n/a nM
Citation
 Chen, P; Caldwell, CG; Ashton, W; Wu, JK; He, H; Lyons, KA; Thornberry, NA; Weber, AE Synthesis and evaluation of [(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexanes and 4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]piperidines as DPP-4 inhibitors. Bioorg Med Chem Lett 21:1880-6 (2011) [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:
BDBM50338440
Synonyms:
CHEMBL1682974 | trans-N-(4-((S)-1-amino-2-oxo-2-(thiazolidin-3-yl)ethyl)cyclohexyl)-4-(trifluoromethoxy)benzamide
Type:
Small organic molecule
Emp. Form.:
C19H24F3N3O3S
Mol. Mass.:
431.472
SMILES:
N[C@@H]([C@H]1CC[C@@H](CC1)NC(=O)c1ccc(OC(F)(F)F)cc1)C(=O)N1CCSC1 |r,wU:1.0,5.8,wD:2.1,(35.26,-24.16,;35.27,-25.7,;36.6,-26.47,;36.6,-28.01,;37.93,-28.77,;39.26,-28.01,;39.26,-26.47,;37.93,-25.69,;40.59,-28.78,;41.93,-28.01,;41.93,-26.47,;43.26,-28.78,;43.25,-30.32,;44.58,-31.09,;45.92,-30.32,;47.25,-31.09,;47.25,-32.63,;48.59,-33.4,;45.92,-33.4,;47.24,-34.17,;45.92,-28.78,;44.59,-28.01,;33.93,-26.48,;33.94,-28.02,;32.6,-25.71,;31.19,-26.33,;30.16,-25.19,;30.92,-23.86,;32.43,-24.17,)|
Structure:
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