Reaction Details | |||
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Target | Dipeptidyl peptidase 4 | ||
Ligand | BDBM50221978 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_449743 (CHEMBL898850) | ||
IC50 | 11±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: |
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BDBM50221978 | |||
n/a | |||
Name | BDBM50221978 | ||
Synonyms: | (2S,3S)-3-amino-4-(3,3-difluoropyrrolidin-1-yl)-2-((1r,4S)-4-(4-fluorophenyl)cyclohexyl)-N,N-dimethyl-4-oxobutanamide | CHEMBL238190 | ||
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,wD:5.4,20.24,(22.84,4.54,;22.85,3,;21.52,2.23,;24.19,2.24,;25.52,3.01,;24.19,.7,;25.53,-.07,;25.53,-1.61,;26.86,.71,;26.85,2.25,;28.2,-.06,;29.6,.57,;30.64,-.57,;29.87,-1.9,;29.46,-3.38,;31.4,-2.13,;28.37,-1.59,;22.86,-.08,;22.87,-1.63,;21.53,-2.4,;20.19,-1.63,;20.2,-.09,;21.53,.69,;18.86,-2.4,;17.53,-1.63,;16.2,-2.39,;16.19,-3.93,;14.86,-4.71,;17.54,-4.71,;18.86,-3.93,)| | ||
Structure |