Search and Browse
Download
Enter Data
| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Dipeptidyl peptidase 9 | ||
| Ligand | BDBM50338440 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_728289 (CHEMBL1687446) | ||
| IC50 | 570±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 9 | |||
| Name: | Dipeptidyl peptidase 9 | ||
| Synonyms: | DPP9 | DPP9_HUMAN | DPRP-2 | DPRP2 | Dipeptidyl peptidase 9 (DDP9) | Dipeptidyl peptidase 9 (DPP-9) | Dipeptidyl peptidase 9 (DPP9) | Dipeptidyl peptidase IV-related protein 2 | Dipeptidyl peptidase IX | Dipeptidyl peptidase IX (DDP-IX) | Dipeptidyl peptidase-like protein 9 | ||
| Type: | Enzyme | ||
| Mol. Mass.: | 98260.70 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | Q86TI2 | ||
| Residue: | 863 | ||
| Sequence: |
| ||
| BDBM50338440 | |||
| n/a | |||
| Name | BDBM50338440 | ||
| Synonyms: | CHEMBL1682974 | trans-N-(4-((S)-1-amino-2-oxo-2-(thiazolidin-3-yl)ethyl)cyclohexyl)-4-(trifluoromethoxy)benzamide | ||
| Type | Small organic molecule | ||
| Emp. Form. | C19H24F3N3O3S | ||
| Mol. Mass. | 431.472 | ||
| SMILES | N[C@@H]([C@H]1CC[C@@H](CC1)NC(=O)c1ccc(OC(F)(F)F)cc1)C(=O)N1CCSC1 |r,wU:1.0,5.8,wD:2.1,(35.26,-24.16,;35.27,-25.7,;36.6,-26.47,;36.6,-28.01,;37.93,-28.77,;39.26,-28.01,;39.26,-26.47,;37.93,-25.69,;40.59,-28.78,;41.93,-28.01,;41.93,-26.47,;43.26,-28.78,;43.25,-30.32,;44.58,-31.09,;45.92,-30.32,;47.25,-31.09,;47.25,-32.63,;48.59,-33.4,;45.92,-33.4,;47.24,-34.17,;45.92,-28.78,;44.59,-28.01,;33.93,-26.48,;33.94,-28.02,;32.6,-25.71,;31.19,-26.33,;30.16,-25.19,;30.92,-23.86,;32.43,-24.17,)| | ||
| Structure | 
| ||