| Reaction Details |
|---|
 | Report a problem with these data |
| Target | Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 |
|---|
| Ligand | BDBM50345579 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | ChEMBL_751815 (CHEMBL1785570) |
|---|
| IC50 | 6.4±n/a nM |
|---|
| Citation |  Thomas, M; Huang, WS; Wen, D; Zhu, X; Wang, Y; Metcalf, CA; Liu, S; Chen, I; Romero, J; Zou, D; Sundaramoorthi, R; Li, F; Qi, J; Cai, L; Zhou, T; Commodore, L; Xu, Q; Keats, J; Wang, F; Wardwell, S; Ning, Y; Snodgrass, JT; Broudy, MI; Russian, K; Iuliucci, J; Rivera, VM; Sawyer, TK; Dalgarno, DC; Clackson, T; Shakespeare, WC Discovery of 5-(arenethynyl) hetero-monocyclic derivatives as potent inhibitors of BCR-ABL including the T315I gatekeeper mutant. Bioorg Med Chem Lett21:3743-8 (2011) [PubMed] Article |
|---|
| More Info.: | Get all data from this article, Assay Method |
|---|
| |
| Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 |
|---|
| Name: | Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 |
|---|
| Synonyms: | CDK2/CycE | CDK2/Cyclin E | CDK2/E | CDK2/E1 | Cyclin-Dependent Kinase 2 (CDK2) | Cyclin-dependent kinase 2/G1/S-specific cyclin E1 | Cyclin-dependent kinase 2/cyclin E1 |
|---|
| Type: | Protein |
|---|
| Mol. Mass.: | n/a |
|---|
| Description: | n/a |
|---|
| Components: | This complex has 2 components. |
|---|
| Component 1 |
| Name: | Cyclin-dependent kinase 2 |
|---|
| Synonyms: | CDK2 | CDK2-Kinase | CDK2_HUMAN | CDKN2 | Cell division protein kinase 2 | Cyclin-dependent kinase 2 (CDK2) | Protein cereblon/Cyclin-dependent kinase 2 | p33 protein kinase |
|---|
| Type: | Enzyme Subunit |
|---|
| Mol. Mass.: | 33938.17 |
|---|
| Organism: | Homo sapiens (Human) |
|---|
| Description: | P24941 |
|---|
| Residue: | 298 |
|---|
| Sequence: | MENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRLDTETEGVPSTAIREISLLKELNH
PNIVKLLDVIHTENKLYLVFEFLHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFCHS
HRVLHRDLKPQNLLINTEGAIKLADFGLARAFGVPVRTYTHEVVTLWYRAPEILLGCKYY
STAVDIWSLGCIFAEMVTRRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDYKPSF
PKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQDVTKPVPHLRL
|
|
|
|---|
| Component 2 |
| Name: | G1/S-specific cyclin-E1 |
|---|
| Synonyms: | CCNE | CCNE1 | CCNE1_HUMAN |
|---|
| Type: | Enzyme Subunit |
|---|
| Mol. Mass.: | 47073.17 |
|---|
| Organism: | Homo sapiens (Human) |
|---|
| Description: | n/a |
|---|
| Residue: | 410 |
|---|
| Sequence: | MPRERRERDAKERDTMKEDGGAEFSARSRKRKANVTVFLQDPDEEMAKIDRTARDQCGSQ
PWDNNAVCADPCSLIPTPDKEDDDRVYPNSTCKPRIIAPSRGSPLPVLSWANREEVWKIM
LNKEKTYLRDQHFLEQHPLLQPKMRAILLDWLMEVCEVYKLHRETFYLAQDFFDRYMATQ
ENVVKTLLQLIGISSLFIAAKLEEIYPPKLHQFAYVTDGACSGDEILTMELMIMKALKWR
LSPLTIVSWLNVYMQVAYLNDLHEVLLPQYPQQIFIQIAELLDLCVLDVDCLEFPYGILA
ASALYHFSSSELMQKVSGYQWCDIENCVKWMVPFAMVIRETGSSKLKHFRGVADEDAHNI
QTHRDSLDLLDKARAKKAMLSEQNRASPLPSGLLTPPQSGKKQSSGPEMA
|
|
|
|---|
| BDBM50345579 |
|---|
| n/a |
|---|
| Name | BDBM50345579 |
|---|
| Synonyms: | 5-((5-(4-((4-(2-hydroxyethyl)piperazin-1-yl)methyl)-3-(trifluoromethyl)phenylcarbamoyl)-2-methylphenyl)ethynyl)-N,1-dimethyl-1H-imidazole-2-carboxamide | CHEMBL1784637 |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C30H33F3N6O3 |
|---|
| Mol. Mass. | 582.6166 |
|---|
| SMILES | CNC(=O)c1ncc(C#Cc2cc(ccc2C)C(=O)Nc2ccc(CN3CCN(CCO)CC3)c(c2)C(F)(F)F)n1C |
|---|
| Structure | 
|
|---|
Search and Browse
