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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Dipeptidyl peptidase 4 | ||
| Ligand | BDBM50338455 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_728292 (CHEMBL1687449) | ||
| IC50 | 100±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: |
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| BDBM50338455 | |||
| n/a | |||
| Name | BDBM50338455 | ||
| Synonyms: | CHEMBL1683089 | trans-N-(5-(N-(4-((R)-1-amino-2-(2,5-difluorophenyl)ethyl)cyclohexyl)-N-methylsulfamoyl)-4-methylthiazol-2-yl)acetamide | ||
| Type | Small organic molecule | ||
| Emp. Form. | C21H28F2N4O3S2 | ||
| Mol. Mass. | 486.599 | ||
| SMILES | CN([C@H]1CC[C@@H](CC1)[C@H](N)Cc1cc(F)ccc1F)S(=O)(=O)c1sc(NC(C)=O)nc1C |r,wU:8.9,2.1,wD:5.4,(51.57,-31.88,;51.57,-30.34,;50.24,-29.57,;48.9,-30.33,;47.57,-29.56,;47.58,-28.03,;48.9,-27.25,;50.24,-28.03,;46.25,-27.26,;46.24,-25.72,;44.91,-28.03,;43.58,-27.26,;43.57,-25.71,;42.24,-24.95,;42.23,-23.41,;40.91,-25.72,;40.91,-27.27,;42.24,-28.04,;42.24,-29.58,;52.91,-29.57,;52.13,-28.23,;53.67,-28.23,;54.23,-30.34,;54.4,-31.87,;55.9,-32.19,;56.53,-33.59,;55.62,-34.84,;54.09,-34.68,;56.25,-36.25,;56.67,-30.86,;55.64,-29.72,;55.97,-28.21,)| | ||
| Structure | 
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