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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Dipeptidyl peptidase 4 | ||
| Ligand | BDBM50221974 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_449743 (CHEMBL898850) | ||
| IC50 | 150±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: |
| ||
| BDBM50221974 | |||
| n/a | |||
| Name | BDBM50221974 | ||
| 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 | CHEMBL237972 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C22H30F3N3O2 | ||
| Mol. Mass. | 425.4877 | ||
| SMILES | CN(C)C(=O)[C@H]([C@H](N)C(=O)N1CCC(F)(F)C1)[C@H]1CC[C@H](CC1)c1ccc(F)cc1 |wU:6.6,17.23,20.24,wD:5.4,(.11,4.96,;.11,3.42,;-1.22,2.65,;1.45,2.66,;2.78,3.43,;1.46,1.12,;2.79,.35,;2.8,-1.19,;4.12,1.13,;4.12,2.67,;5.46,.36,;6.87,.99,;7.9,-.15,;7.14,-1.48,;6.73,-2.96,;8.66,-1.71,;5.63,-1.17,;.13,.34,;.13,-1.21,;-1.21,-1.98,;-2.54,-1.21,;-2.54,.33,;-1.21,1.11,;-3.87,-1.98,;-5.2,-1.21,;-6.54,-1.97,;-6.54,-3.51,;-7.87,-4.29,;-5.2,-4.29,;-3.87,-3.51,)| | ||
| Structure | 
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