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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 | ||
| Ligand | BDBM50156383 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_1565874 (CHEMBL3789978) | ||
| IC50 | >10000±n/a nM | ||
| Citation |  Fairhurst, RA; Marsilje, TH; Stutz, S; Boos, A; Niklaus, M; Chen, B; Jiang, S; Lu, W; Furet, P; McCarthy, C; Stauffer, F; Guagnano, V; Vaupel, A; Michellys, PY; Schnell, C; Jeay, S Optimisation of a 5-[3-phenyl-(2-cyclic-ether)-methyl-ether]-4-aminopyrrolopyrimidine series of IGF-1R inhibitors. Bioorg Med Chem Lett26:2057-64 (2016) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 | |||
| Name: | Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 | ||
| Synonyms: | CDK4/CycD | CDK4/CycD1 | CDK4/Cyclin D1 | CDK4/D1 | Cyclin-Dependent Kinase 4 (CDK4) | Cyclin-dependent kinase 4 | Cyclin-dependent kinase 4/G1/S-specific cyclin D1 | Cyclin-dependent kinase 4/cyclin D1 | ||
| Type: | Protein Complex | ||
| Mol. Mass.: | n/a | ||
| Description: | CDK4/D1 complexes were purified from insect cells co-infected with baculovirus vectors containing each of the components. | ||
| Components: | This complex has 2 components. | ||
| Component 1 | |||
| Name: | Cyclin-dependent kinase 4 | ||
| Synonyms: | CDK4 | CDK4_HUMAN | Cell division protein kinase 4 | Cyclin-dependent kinase 4 (CDK 4) | PSK-J3 | ||
| Type: | Enzyme Subunit | ||
| Mol. Mass.: | 33731.96 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | P11802 | ||
| Residue: | 303 | ||
| Sequence: |
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| Component 2 | |||
| Name: | G1/S-specific cyclin-D1 | ||
| Synonyms: | B-cell lymphoma 1 protein | BCL-1 | BCL-1 oncogene | BCL1 | CCND1 | CCND1_HUMAN | PRAD1 | PRAD1 oncogene | ||
| Type: | Enzyme Subunit | ||
| Mol. Mass.: | 33717.70 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | n/a | ||
| Residue: | 295 | ||
| Sequence: |
| ||
| BDBM50156383 | |||
| n/a | |||
| Name | BDBM50156383 | ||
| Synonyms: | CHEMBL3785951 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C27H33FN6O3 | ||
| Mol. Mass. | 508.5877 | ||
| SMILES | CC(=O)N1CCN(CC1)[C@H]1C[C@H](C1)n1cc(-c2cc(OC[C@@H]3CCCO3)ccc2F)c2c(N)ncnc12 |r,wU:21.22,wD:11.14,9.9,(4.28,-11.46,;5,-10.46,;6.22,-10.59,;4.36,-9.06,;2.83,-8.9,;2.2,-7.5,;3.1,-6.26,;4.64,-6.41,;5.27,-7.81,;2.74,-4.76,;3.54,-3.45,;2.24,-2.7,;1.42,-3.96,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.76,2.91,;4.33,4.34,;5.86,4.56,;6.43,5.99,;7.96,6.21,;9.01,5.1,;10.39,5.78,;10.17,7.31,;8.66,7.57,;3.38,5.55,;1.86,5.34,;1.29,3.91,;.07,3.74,;.3,.77,;-1.03,1.55,;-1.03,2.79,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,)| | ||
| Structure | 
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