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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Dipeptidyl peptidase 4 | ||
| Ligand | BDBM50356582 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_776111 (CHEMBL1912807) | ||
| Ki | 0.26±n/a nM | ||
| Citation |  Wang, W; Devasthale, P; Wang, A; Harrity, T; Egan, D; Morgan, N; Cap, M; Fura, A; Klei, HE; Kish, K; Weigelt, C; Sun, L; Levesque, P; Li, YX; Zahler, R; Kirby, MS; Hamann, LG 7-Oxopyrrolopyridine-derived DPP4 inhibitors-mitigation of CYP and hERG liabilities via introduction of polar functionalities in the active site. Bioorg Med Chem Lett21:6646-51 (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: |
| ||
| BDBM50356582 | |||
| n/a | |||
| Name | BDBM50356582 | ||
| Synonyms: | CHEMBL1910126 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C23H21Cl2N5O2 | ||
| Mol. Mass. | 470.351 | ||
| SMILES | Cc1nc2C(=O)N(CC(=O)NCc3cccnc3)Cc2c(c1CN)-c1ccc(Cl)cc1Cl |(14.01,-46.7,;12.68,-47.48,;11.34,-46.71,;10.02,-47.49,;8.55,-47.01,;8.08,-45.55,;7.65,-48.25,;6.11,-48.26,;5.34,-49.59,;6.12,-50.92,;3.8,-49.59,;3.04,-50.93,;1.5,-50.93,;.74,-52.26,;-.8,-52.27,;-1.58,-50.93,;-.81,-49.6,;.73,-49.59,;8.55,-49.5,;10.01,-49.03,;11.35,-49.8,;12.68,-49.03,;14.02,-49.79,;15.35,-49.02,;11.35,-51.33,;10.01,-52.1,;10.01,-53.64,;11.35,-54.41,;11.35,-55.95,;12.69,-53.64,;12.68,-52.1,;14.01,-51.33,)| | ||
| Structure | 
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