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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Cyclin-K/Cyclin-dependent kinase 12 | ||
| Ligand | BDBM50367676 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_1735959 (CHEMBL4151495) | ||
| IC50 | 52±n/a nM | ||
| Citation |  Ito, M; Tanaka, T; Toita, A; Uchiyama, N; Kokubo, H; Morishita, N; Klein, MG; Zou, H; Murakami, M; Kondo, M; Sameshima, T; Araki, S; Endo, S; Kawamoto, T; Morin, GB; Aparicio, SA; Nakanishi, A; Maezaki, H; Imaeda, Y Discovery of 3-Benzyl-1-( trans-4-((5-cyanopyridin-2-yl)amino)cyclohexyl)-1-arylurea Derivatives as Novel and Selective Cyclin-Dependent Kinase 12 (CDK12) Inhibitors. J Med Chem61:7710-7728 (2018) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Cyclin-K/Cyclin-dependent kinase 12 | |||
| Name: | Cyclin-K/Cyclin-dependent kinase 12 | ||
| Synonyms: | CDK12/Cyclin K | ||
| Type: | n/a | ||
| Mol. Mass.: | n/a | ||
| Description: | ASSAY_ID of ChEMBL is 1735959 | ||
| Components: | This complex has 2 components. | ||
| Component 1 | |||
| Name: | Cyclin-K | ||
| Synonyms: | CCNK | CCNK_HUMAN | CPR4 | ||
| Type: | PROTEIN | ||
| Mol. Mass.: | 64254.10 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | ChEMBL_107901 | ||
| Residue: | 580 | ||
| Sequence: |
| ||
| Component 2 | |||
| Name: | Cyclin-dependent kinase 12 | ||
| Synonyms: | 2.7.11.22 | 2.7.11.23 | CDC2-related protein kinase 7 | CDK12 | CDK12_HUMAN | CRK7 | CRKRS | Cdc2-related kinase, arginine/serine-rich | Cell division cycle 2-related protein kinase 7 | Cell division protein kinase 12 | Cyclin-dependent kinase 12 | KIAA0904 | hCDK12 | ||
| Type: | PROTEIN | ||
| Mol. Mass.: | 164218.64 | ||
| Organism: | Homo sapiens | ||
| Description: | ChEMBL_117739 | ||
| Residue: | 1490 | ||
| Sequence: |
| ||
| BDBM50367676 | |||
| n/a | |||
| Name | BDBM50367676 | ||
| Synonyms: | CHEMBL4160662 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C32H32N6O2 | ||
| Mol. Mass. | 532.6355 | ||
| SMILES | Cn1cc(ccc1=O)-c1ccc(cc1)N([C@H]1CC[C@@H](CC1)Nc1ccc(cn1)C#N)C(=O)NCc1ccccc1 |r,wU:15.16,wD:18.23,(17.35,-24.38,;18.11,-25.71,;19.66,-25.71,;20.43,-27.05,;19.66,-28.38,;18.11,-28.38,;17.35,-27.05,;15.8,-27.05,;21.97,-27.05,;22.74,-28.38,;24.28,-28.38,;25.05,-27.05,;24.28,-25.71,;22.74,-25.71,;26.6,-27.05,;27.37,-25.71,;26.6,-24.38,;27.37,-23.04,;28.91,-23.04,;29.68,-24.38,;28.91,-25.71,;29.68,-21.71,;31.22,-21.71,;31.99,-20.37,;33.54,-20.37,;34.3,-21.71,;33.54,-23.04,;31.99,-23.04,;35.85,-21.71,;37.39,-21.71,;27.37,-28.38,;26.6,-29.71,;28.91,-28.38,;29.68,-29.71,;31.22,-29.71,;31.99,-28.38,;33.54,-28.38,;34.3,-29.71,;33.54,-31.05,;31.99,-31.05,)| | ||
| Structure | 
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