Reaction Details | |||
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Target | Dipeptidyl peptidase 4 | ||
Ligand | BDBM50338466 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_728292 (CHEMBL1687449) | ||
IC50 | 130±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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BDBM50338466 | |||
n/a | |||
Name | BDBM50338466 | ||
Synonyms: | CHEMBL1683100 | trans-N-(4-((R)-1-amino-2-(2,5-difluorophenyl)ethyl)cyclohexyl)-N-methylisobutyramide | ||
Type | Small organic molecule | ||
Emp. Form. | C19H28F2N2O | ||
Mol. Mass. | 338.4352 | ||
SMILES | CC(C)C(=O)N(C)[C@H]1CC[C@@H](CC1)[C@H](N)Cc1cc(F)ccc1F |r,wU:13.14,7.6,wD:10.10,(2.91,-12.9,;2.91,-11.36,;4.25,-10.59,;1.58,-10.59,;1.58,-9.05,;.25,-11.35,;.24,-12.89,;-1.09,-10.58,;-2.42,-11.35,;-3.75,-10.58,;-3.75,-9.04,;-2.42,-8.26,;-1.08,-9.04,;-5.08,-8.27,;-5.08,-6.73,;-6.41,-9.05,;-7.75,-8.28,;-7.75,-6.73,;-9.09,-5.96,;-9.09,-4.42,;-10.42,-6.74,;-10.42,-8.28,;-9.08,-9.05,;-9.09,-10.59,)| | ||
Structure |