| Reaction Details |
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 | Report a problem with these data |
| Target | Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 |
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| Ligand | BDBM6842 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1555977 (CHEMBL3767485) |
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| IC50 | 1072±n/a nM |
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| Citation |  Baltus, CB; Jorda, R; Marot, C; Berka, K; Bazgier, V; Kry?tof, V; Prié, G; Viaud-Massuard, MC Synthesis, biological evaluation and molecular modeling of a novel series of 7-azaindole based tri-heterocyclic compounds as potent CDK2/Cyclin E inhibitors. Eur J Med Chem108:701-19 (2016) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 |
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| Name: | Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 |
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| 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 |
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| Type: | Protein |
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| Mol. Mass.: | n/a |
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| Description: | n/a |
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| Components: | This complex has 2 components. |
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| Component 1 |
| Name: | Cyclin-dependent kinase 2 |
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| 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 |
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| Type: | Enzyme Subunit |
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| Mol. Mass.: | 33938.17 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P24941 |
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| Residue: | 298 |
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| Sequence: | MENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRLDTETEGVPSTAIREISLLKELNH
PNIVKLLDVIHTENKLYLVFEFLHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFCHS
HRVLHRDLKPQNLLINTEGAIKLADFGLARAFGVPVRTYTHEVVTLWYRAPEILLGCKYY
STAVDIWSLGCIFAEMVTRRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDYKPSF
PKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQDVTKPVPHLRL
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| Component 2 |
| Name: | G1/S-specific cyclin-E1 |
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| Synonyms: | CCNE | CCNE1 | CCNE1_HUMAN |
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| Type: | Enzyme Subunit |
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| Mol. Mass.: | 47073.17 |
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| Organism: | Homo sapiens (Human) |
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| Description: | n/a |
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| Residue: | 410 |
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| Sequence: | MPRERRERDAKERDTMKEDGGAEFSARSRKRKANVTVFLQDPDEEMAKIDRTARDQCGSQ
PWDNNAVCADPCSLIPTPDKEDDDRVYPNSTCKPRIIAPSRGSPLPVLSWANREEVWKIM
LNKEKTYLRDQHFLEQHPLLQPKMRAILLDWLMEVCEVYKLHRETFYLAQDFFDRYMATQ
ENVVKTLLQLIGISSLFIAAKLEEIYPPKLHQFAYVTDGACSGDEILTMELMIMKALKWR
LSPLTIVSWLNVYMQVAYLNDLHEVLLPQYPQQIFIQIAELLDLCVLDVDCLEFPYGILA
ASALYHFSSSELMQKVSGYQWCDIENCVKWMVPFAMVIRETGSSKLKHFRGVADEDAHNI
QTHRDSLDLLDKARAKKAMLSEQNRASPLPSGLLTPPQSGKKQSSGPEMA
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| BDBM6842 |
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| n/a |
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| Name | BDBM6842 |
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| Synonyms: | 18-methyl-5-[2-(piperidin-1-yl)ethyl]-3,13,18-triazahexacyclo[14.7.0.0^{2,10}.0^{4,9}.0^{11,15}.0^{17,21}]tricosa-1(16),2(10),4(9),5,7,11(15),17(21),19,22-nonaene-12,14-dione | indolocarbazole deriv. 13f |
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| Type | Small organic molecule |
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| Emp. Form. | C28H26N4O2 |
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| Mol. Mass. | 450.5316 |
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| SMILES | Cn1ccc2ccc3c4[nH]c5c(CCN6CCCCC6)cccc5c4c4C(=O)NC(=O)c4c3c12 |
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| Structure | 
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