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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Dipeptidyl peptidase 4 | ||
| Ligand | BDBM50338458 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_728292 (CHEMBL1687449) | ||
| IC50 | 38±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 Lett21:1880-6 (2011) [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: |
| ||
| BDBM50338458 | |||
| n/a | |||
| Name | BDBM50338458 | ||
| Synonyms: | CHEMBL1683092 | trans-N-(4-((R)-1-amino-2-(2,5-difluorophenyl)ethyl)cyclohexyl)-N-ethyl-3,5-dimethylisoxazole-4-sulfonamide | ||
| Type | Small organic molecule | ||
| Emp. Form. | C21H29F2N3O3S | ||
| Mol. Mass. | 441.535 | ||
| SMILES | CCN([C@H]1CC[C@@H](CC1)[C@H](N)Cc1cc(F)ccc1F)S(=O)(=O)c1c(C)noc1C |r,wU:9.10,3.2,wD:6.5,(16.93,-43.94,;18.26,-43.17,;18.27,-41.63,;16.93,-40.86,;15.6,-41.63,;14.27,-40.86,;14.28,-39.32,;15.6,-38.54,;16.94,-39.32,;12.94,-38.55,;12.94,-37.01,;11.61,-39.33,;10.27,-38.56,;10.27,-37.01,;8.93,-36.24,;8.93,-34.7,;7.6,-37.01,;7.6,-38.56,;8.94,-39.33,;8.94,-40.87,;19.6,-40.87,;18.82,-39.53,;20.36,-39.53,;20.93,-41.63,;22.34,-41.01,;22.66,-39.51,;23.37,-42.15,;22.6,-43.48,;21.1,-43.16,;19.95,-44.19,)| | ||
| Structure | 
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