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Target
Dipeptidyl peptidase 4
Ligand
BDBM50221981
Substrate
n/a
Meas. Tech.
ChEMBL_449750 (CHEMBL898855)
IC50
130±n/a nM
Citation
 Kaelin, DE; Smenton, AL; Eiermann, GJ; He, H; Leiting, B; Lyons, KA; Patel, RA; Patel, SB; Petrov, A; Scapin, G; Wu, JK; Thornberry, NA; Weber, AE; Duffy, JL 4-arylcyclohexylalanine analogs as potent, selective, and orally active inhibitors of dipeptidyl peptidase IV. Bioorg Med Chem Lett 17:5806-11 (2007) [PubMed]  Article 
Target
Name:
Dipeptidyl peptidase 4
Synonyms:
ADABP | ADCP2 | Adenosine deaminase complexing protein 2 | CD26 | CD_antigen=CD26 | DPP IV | DPP4 | DPP4_HUMAN | DPPIV | Dipeptidyl peptidase 4 (DDP-IV) | Dipeptidyl peptidase 4 (DPP IV) | Dipeptidyl peptidase 4 (DPP-4) | Dipeptidyl peptidase 4 (DPP4) | Dipeptidyl peptidase 4 (DPPIV) | Dipeptidyl peptidase 4 membrane form | Dipeptidyl peptidase 4 soluble form | Dipeptidyl peptidase IV | Dipeptidyl peptidase IV (DDP-4) | Dipeptidyl peptidase IV (DDP-IV) | Dipeptidyl peptidase IV (DPP IV) | Dipeptidyl peptidase IV membrane form | Dipeptidyl peptidase IV soluble form | Dipeptidyl peptidase-IV (DPP-4) | Dipeptidyl peptidase-IV (DPP-IV) | T-cell activation antigen CD26 | TP103
Type:
Enzyme
Mol. Mass.:
88271.01
Organism:
Homo sapiens (Human)
Description:
P27487
Residue:
766
Sequence:
MKTPWKVLLGLLGAAALVTIITVPVVLLNKGTDDATADSRKTYTLTDYLKNTYRLKLYSLRWISDHEYLYKQENNILVFNAEYGNSSVFLENSTFDEFGHSINDYSISPDGQFILLEYNYVKQWRHSYTASYDIYDLNKRQLITEERIPNNTQWVTWSPVGHKLAYVWNNDIYVKIEPNLPSYRITWTGKEDIIYNGITDWVYEEEVFSAYSALWWSPNGTFLAYAQFNDTEVPLIEYSFYSDESLQYPKTVRVPYPKAGAVNPTVKFFVVNTDSLSSVTNATSIQITAPASMLIGDHYLCDVTWATQERISLQWLRRIQNYSVMDICDYDESSGRWNCLVARQHIEMSTTGWVGRFRPSEPHFTLDGNSFYKIISNEEGYRHICYFQIDKKDCTFITKGTWEVIGIEALTSDYLYYISNEYKGMPGGRNLYKIQLSDYTKVTCLSCELNPERCQYYSVSFSKEAKYYQLRCSGPGLPLYTLHSSVNDKGLRVLEDNSALDKMLQNVQMPSKKLDFIILNETKFWYQMILPPHFDKSKKYPLLLDVYAGPCSQKADTVFRLNWATYLASTENIIVASFDGRGSGYQGDKIMHAINRRLGTFEVEDQIEAARQFSKMGFVDNKRIAIWGWSYGGYVTSMVLGSGSGVFKCGIAVAPVSRWEYYDSVYTERYMGLPTPEDNLDHYRNSTVMSRAENFKQVEYLLIHGTADDNVHFQQSAQISKALVDVGVDFQAMWYTDEDHGIASSTAHQHIYTHMSHFIKQCFSLP
  
Inhibitor
Name:
BDBM50221981
Synonyms:
(2S,3S)-2-((1s,4R)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)cyclohexyl)-3-amino-4-(3,3-difluoropyrrolidin-1-yl)-N,N-dimethyl-4-oxobutanamide | CHEMBL238191
Type:
Small organic molecule
Emp. Form.:
C22H30F2N6O2
Mol. Mass.:
448.5094
SMILES:
CN(C)C(=O)[C@H]([C@H](N)C(=O)N1CCC(F)(F)C1)[C@H]1CC[C@H](CC1)c1ccc2ncnn2c1 |wU:6.6,17.23,20.24,wD:5.4,(1.5,-8.86,;1.51,-10.4,;.18,-11.17,;2.84,-11.16,;4.17,-10.39,;2.85,-12.7,;4.19,-13.47,;4.19,-15.01,;5.52,-12.69,;5.51,-11.15,;6.85,-13.46,;8.26,-12.83,;9.3,-13.97,;8.53,-15.3,;8.12,-16.78,;10.05,-15.53,;7.02,-14.99,;1.52,-13.48,;1.52,-15.03,;.18,-15.8,;-1.15,-15.03,;-1.15,-13.49,;.18,-12.72,;-2.48,-15.8,;-2.48,-17.33,;-3.81,-18.11,;-5.15,-17.34,;-6.62,-17.82,;-7.53,-16.57,;-6.62,-15.31,;-5.15,-15.79,;-3.81,-15.03,)|
Structure:
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