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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Dipeptidyl peptidase 4 | ||
| Ligand | BDBM50338444 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_728292 (CHEMBL1687449) | ||
| IC50 | 180±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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| BDBM50338444 | |||
| n/a | |||
| Name | BDBM50338444 | ||
| Synonyms: | CHEMBL1682978 | trans-N-(4-((R)-1-amino-2-(2,5-difluorophenyl)ethyl)cyclohexyl)-4-cyano-N-methylbenzenesulfonamide | ||
| Type | Small organic molecule | ||
| Emp. Form. | C22H25F2N3O2S | ||
| Mol. Mass. | 433.515 | ||
| SMILES | CN([C@H]1CC[C@@H](CC1)[C@H](N)Cc1cc(F)ccc1F)S(=O)(=O)c1ccc(cc1)C#N |r,wU:8.9,2.1,wD:5.4,(.58,-11.88,;.58,-10.34,;-.75,-9.56,;-2.09,-10.33,;-3.42,-9.56,;-3.41,-8.02,;-2.09,-7.24,;-.75,-8.02,;-4.75,-7.26,;-4.75,-5.72,;-6.08,-8.03,;-7.41,-7.26,;-7.42,-5.71,;-8.75,-4.95,;-8.76,-3.41,;-10.08,-5.72,;-10.08,-7.26,;-8.75,-8.03,;-8.75,-9.57,;1.92,-9.57,;1.14,-8.23,;2.68,-8.23,;3.24,-10.34,;3.24,-11.87,;4.56,-12.64,;5.89,-11.88,;5.89,-10.33,;4.56,-9.57,;7.23,-12.64,;8.56,-13.41,)| | ||
| Structure | 
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