Reaction Details | |||
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Target | Dipeptidyl peptidase 4 | ||
Ligand | BDBM50140537 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEBML_53340 | ||
IC50 | 210±n/a nM | ||
Citation | Caldwell, CG; Chen, P; He, J; Parmee, ER; Leiting, B; Marsilio, F; Patel, RA; Wu, JK; Eiermann, GJ; Petrov, A; He, H; Lyons, KA; Thornberry, NA; Weber, AE Fluoropyrrolidine amides as dipeptidyl peptidase IV inhibitors. Bioorg Med Chem Lett14:1265-8 (2004) [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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BDBM50140537 | |||
n/a | |||
Name | BDBM50140537 | ||
Synonyms: | CHEMBL23880 | N-{4-[(S)-1-Amino-2-((S)-3-fluoro-pyrrolidin-1-yl)-2-oxo-ethyl]-cyclohexyl}-2-trifluoromethyl-benzamide | ||
Type | Small organic molecule | ||
Emp. Form. | C20H25F4N3O2 | ||
Mol. Mass. | 415.425 | ||
SMILES | N[C@@H]([C@H]1CC[C@@H](CC1)NC(=O)c1ccccc1C(F)(F)F)C(=O)N1CC[C@H](F)C1 |wU:5.8,1.0,wD:2.7,26.28,(6.77,-10.92,;6.77,-9.36,;5.44,-8.59,;5.44,-7.05,;4.11,-6.28,;2.78,-7.05,;2.78,-8.59,;4.11,-9.36,;1.43,-6.26,;.1,-7.03,;.1,-8.57,;-1.23,-6.26,;-1.23,-4.71,;-2.56,-3.94,;-3.91,-4.71,;-3.91,-6.26,;-2.57,-7.03,;-2.57,-8.57,;-4.11,-8.57,;-1.03,-8.57,;-2.57,-10.11,;8.1,-8.59,;8.1,-7.05,;9.45,-9.36,;10.79,-8.59,;11.93,-9.64,;11.3,-11.04,;12.07,-12.4,;9.78,-10.88,)| | ||
Structure |