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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Dipeptidyl peptidase 4 | ||
| Ligand | BDBM50221968 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_449750 (CHEMBL898855) | ||
| IC50 | 23±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 Lett17:5806-11 (2007) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Dipeptidyl peptidase 4 | |||
| 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: |
| ||
| BDBM50221968 | |||
| n/a | |||
| Name | BDBM50221968 | ||
| Synonyms: | (2S,3S)-2-((1r,4S)-4-([1,2,4]triazolo[1,5-a]pyridin-5-yl)cyclohexyl)-3-amino-4-(3,3-difluoropyrrolidin-1-yl)-N,N-dimethyl-4-oxobutanamide | CHEMBL237997 | ||
| 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)c1cccc2ncnn12 |wU:6.6,17.23,wD:20.24,5.4,(22.14,-9.02,;22.15,-10.56,;20.82,-11.33,;23.49,-11.32,;24.82,-10.55,;23.49,-12.86,;24.83,-13.63,;24.83,-15.17,;26.16,-12.85,;26.15,-11.31,;27.5,-13.62,;28.9,-12.98,;29.94,-14.12,;29.17,-15.46,;28.76,-16.94,;30.7,-15.68,;27.67,-15.15,;22.16,-13.64,;22.17,-15.19,;20.83,-15.95,;19.49,-15.19,;19.5,-13.64,;20.83,-12.87,;18.16,-15.96,;16.83,-15.18,;15.5,-15.95,;15.49,-17.49,;16.84,-18.27,;17.17,-19.77,;18.7,-19.92,;19.32,-18.51,;18.16,-17.49,)| | ||
| Structure | 
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