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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Dipeptidyl peptidase 4 | ||
| Ligand | BDBM50221983 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_449750 (CHEMBL898855) | ||
| IC50 | 1900±n/a nM | ||
| Citation |  Kaelin, DE; Smenton, AL; Eiermann, GJ; He, H; Leiting, B; Lyons, KA; Patel, RA; Patel, SB; Petrov, A; Scapin, G; Wu, JK; Thornberry, NA; Weber, AE; Duffy, JL 4-arylcyclohexylalanine analogs as potent, selective, and orally active inhibitors of dipeptidyl peptidase IV. Bioorg Med Chem Lett17:5806-11 (2007) [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: |
| ||
| BDBM50221983 | |||
| n/a | |||
| Name | BDBM50221983 | ||
| Synonyms: | (2S,3S)-3-amino-4-(3,3-difluoropyrrolidin-1-yl)-2-((1r,4S)-4-(2,6-dimethoxypyrimidin-4-yl)cyclohexyl)-N,N-dimethyl-4-oxobutanamide | CHEMBL235223 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C22H33F2N5O4 | ||
| Mol. Mass. | 469.5253 | ||
| SMILES | COc1cc(nc(OC)n1)[C@H]1CC[C@@H](CC1)[C@@H]([C@H](N)C(=O)N1CCC(F)(F)C1)C(=O)N(C)C |wU:13.14,17.19,wD:10.10,16.30,(18.37,-36.19,;17.04,-35.42,;17.03,-33.88,;18.36,-33.11,;18.35,-31.57,;17.02,-30.8,;15.69,-31.57,;14.36,-30.8,;14.36,-29.26,;15.69,-33.11,;19.69,-30.8,;21.02,-31.57,;22.36,-30.8,;22.35,-29.25,;21.02,-28.49,;19.69,-29.26,;23.69,-28.48,;25.02,-29.24,;25.03,-30.78,;26.35,-28.47,;26.35,-26.93,;27.69,-29.23,;29.1,-28.6,;30.13,-29.74,;29.37,-31.08,;28.96,-32.56,;30.89,-31.3,;27.86,-30.76,;23.68,-26.94,;25.01,-26.16,;22.34,-26.17,;22.34,-24.63,;21.01,-26.95,)| | ||
| Structure | 
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