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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Dipeptidyl peptidase 4 | ||
| Ligand | BDBM50338451 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_728292 (CHEMBL1687449) | ||
| IC50 | 94±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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| BDBM50338451 | |||
| n/a | |||
| Name | BDBM50338451 | ||
| Synonyms: | CHEMBL1682985 | trans-N-(4-((R)-1-amino-2-(2,5-difluorophenyl)ethyl)cyclohexyl)-N-methyl-4-(1,2,3-thiadiazol-4-yl)benzenesulfonamide | ||
| Type | Small organic molecule | ||
| Emp. Form. | C23H26F2N4O2S2 | ||
| Mol. Mass. | 492.605 | ||
| SMILES | CN([C@H]1CC[C@@H](CC1)[C@H](N)Cc1cc(F)ccc1F)S(=O)(=O)c1ccc(cc1)-c1csnn1 |r,wU:8.9,2.1,wD:5.4,(37.01,-20.6,;37.01,-19.06,;35.68,-18.29,;34.34,-19.05,;33.01,-18.29,;33.02,-16.75,;34.34,-15.97,;35.68,-16.75,;31.69,-15.98,;31.68,-14.44,;30.35,-16.75,;29.02,-15.99,;29.01,-14.44,;27.68,-13.67,;27.67,-12.13,;26.35,-14.44,;26.35,-15.99,;27.68,-16.76,;27.68,-18.3,;38.35,-18.3,;37.25,-17.2,;39.11,-16.96,;39.68,-19.07,;39.67,-20.61,;41,-21.38,;42.33,-20.61,;42.33,-19.06,;41,-18.3,;43.67,-21.38,;43.83,-22.91,;45.33,-23.23,;46.1,-21.9,;45.07,-20.75,)| | ||
| Structure | 
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