Search and Browse
Download
Enter Data
| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Tyrosine-protein phosphatase non-receptor type 11 | ||
| Ligand | BDBM503386 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | SHP2 Biochemical Assay | ||
| IC50 | 410±n/a nM | ||
| Citation |  Jorand-Lebrun, C; Boivin, R; Mochalkin, I; Johnson, T; Linde, N; Musch, D; Kumar, D Carboxamide-pyrimidine derivatives as SHP2 antagonists US Patent US11696916 Publication Date 7/11/2023 | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Tyrosine-protein phosphatase non-receptor type 11 | |||
| Name: | Tyrosine-protein phosphatase non-receptor type 11 | ||
| Synonyms: | 3.1.3.48 | PTN11_HUMAN | PTP-1D | PTP-2C | PTP2C | PTPN11 | Protein Tyrosine Phosphatase PPN11/Shp2 | Protein tyrosine phosphatase (PTP) Shp2 | Protein-Tyrosine Phosphatase SHP-2 | Protein-tyrosine phosphatase 1D | Protein-tyrosine phosphatase 2C | SH-PTP2 | SH-PTP3 | SHP-2 | SHP2 | SHPTP2 | Src homology phosphatase 2 (SHP-2) | Tyrosine-protein phosphatase non-receptor type 11 (PTPN11) | Tyrosine-protein phosphatase non-receptor type 11 (SHP-2) | Tyrosine-protein phosphatase non-receptor type 11 (SHP2) | ||
| Type: | Protein phosphatase | ||
| Mol. Mass.: | 68443.59 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | Q06124 | ||
| Residue: | 593 | ||
| Sequence: |
| ||
| BDBM503386 | |||
| n/a | |||
| Name | BDBM503386 | ||
| Synonyms: | (4M)-2-{[(1R,3S)-3- aminocyclohexyl]amino}-5-(2,3- dichlorophenyl)-6- methylpyrimidine-4-carboxamide | US11033547, Compound 88 | US11033547, Compound 89 | US11696916, Compound 89 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C18H21Cl2N5O | ||
| Mol. Mass. | 394.298 | ||
| SMILES | Cc1nc(N[C@@H]2CCC[C@H](N)C2)nc(C(N)=O)c1-c1cccc(Cl)c1Cl |r,wD:5.4,9.9,(-2.31,2.67,;-1.54,1.33,;,1.33,;.77,,;2.31,,;3.08,1.33,;2.31,2.67,;3.08,4,;4.62,4,;5.39,2.67,;6.93,2.67,;4.62,1.33,;,-1.33,;-1.54,-1.33,;-2.31,-2.67,;-1.54,-4,;-3.85,-2.67,;-2.31,,;-3.85,,;-4.62,-1.33,;-6.16,-1.33,;-6.93,,;-6.16,1.33,;-6.93,2.67,;-4.62,1.33,;-3.85,2.67,)| | ||
| Structure | 
| ||