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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Dipeptidyl peptidase 4 | ||
| Ligand | BDBM50338450 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_728292 (CHEMBL1687449) | ||
| IC50 | 130±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: |
| ||
| BDBM50338450 | |||
| n/a | |||
| Name | BDBM50338450 | ||
| Synonyms: | CHEMBL1682984 | trans-N-(4-((R)-1-amino-2-(2,5-difluorophenyl)ethyl)cyclohexyl)-N-methyl-4-(oxazol-5-yl)benzenesulfonamide | ||
| Type | Small organic molecule | ||
| Emp. Form. | C24H27F2N3O3S | ||
| Mol. Mass. | 475.551 | ||
| SMILES | CN([C@H]1CC[C@@H](CC1)[C@H](N)Cc1cc(F)ccc1F)S(=O)(=O)c1ccc(cc1)-c1cnco1 |r,wU:8.9,2.1,wD:5.4,(.18,-28.73,;.18,-27.19,;-1.15,-26.42,;-2.49,-27.18,;-3.81,-26.41,;-3.81,-24.88,;-2.48,-24.1,;-1.15,-24.88,;-5.14,-24.11,;-5.14,-22.57,;-6.47,-24.88,;-7.81,-24.11,;-7.82,-22.56,;-9.15,-21.8,;-9.16,-20.26,;-10.48,-22.57,;-10.48,-24.12,;-9.15,-24.89,;-9.15,-26.43,;1.52,-26.42,;.42,-25.32,;2.28,-25.08,;2.85,-27.2,;2.84,-28.73,;4.17,-29.51,;5.51,-28.74,;5.5,-27.19,;4.17,-26.42,;6.84,-29.51,;7,-31.04,;8.51,-31.36,;9.28,-30.03,;8.25,-28.88,)| | ||
| Structure | 
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