Reaction Details Report a problem with these data
Target
Dipeptidyl peptidase 8
Ligand
BDBM17323
Substrate
BDBM11561
Meas. Tech.
Dipeptidyl Peptidase Inhibition Assay
IC50
25000±n/a nM
Citation
 Duffy, JL; Kirk, BA; Wang, L; Eiermann, GJ; He, H; Leiting, B; Lyons, KA; Patel, RA; Patel, SB; Petrov, A; Scapin, G; Wu, JK; Thornberry, NA; Weber, AE 4-aminophenylalanine and 4-aminocyclohexylalanine derivatives as potent, selective, and orally bioavailable inhibitors of dipeptidyl peptidase IV. Bioorg Med Chem Lett 17:2879-85 (2007) [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:
BDBM17323
Synonyms:
N-{4-[(2S,3S)-3-amino-4-[(3S)-3-fluoropyrrolidin-1-yl]-4-oxobutan-2-yl]cyclohexyl}-N-methylacetamide | cyclohexylalanine derived inhibitor, 25
Type:
Small organic molecule
Emp. Form.:
C17H30FN3O2
Mol. Mass.:
327.4374
SMILES:
C[C@H]([C@H](N)C(=O)N1CC[C@H](F)C1)C1CCC(CC1)N(C)C(C)=O |r,wU:2.2,wD:9.9,1.0,(-2.52,7.16,;-2.52,5.62,;-1.19,4.85,;-1.19,3.31,;.14,5.62,;.14,7.16,;1.48,4.85,;2.72,5.76,;3.97,4.85,;3.49,3.39,;4.4,2.14,;1.95,3.39,;-3.86,4.85,;-5.19,5.62,;-6.53,4.85,;-6.53,3.31,;-5.19,2.54,;-3.86,3.31,;-7.86,2.54,;-7.86,1,;-9.19,3.31,;-10.53,2.54,;-9.19,4.85,)|
Structure:
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Substrate
Name:
BDBM11561
Synonyms:
1-(2-aminopropanoyl)-N-[2-oxo-4-(trifluoromethyl)-2H-chromen-7-yl]pyrrolidine-2-carboxamide | Ala-Pro-7-amido-4-trifluoromethylcoumarin
Type:
Small organic molecule
Emp. Form.:
C18H18F3N3O4
Mol. Mass.:
397.3484
SMILES:
CC(N)C(=O)N1CCCC1C(=O)Nc1ccc2c(cc(=O)oc2c1)C(F)(F)F
Structure:
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