Reaction Details |
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Target | Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1 |
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Ligand | BDBM50307987 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_608389 (CHEMBL1074423) |
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IC50 | 450±n/a nM |
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Citation | Brasca, MG; Albanese, C; Alzani, R; Amici, R; Avanzi, N; Ballinari, D; Bischoff, J; Borghi, D; Casale, E; Croci, V; Fiorentini, F; Isacchi, A; Mercurio, C; Nesi, M; Orsini, P; Pastori, W; Pesenti, E; Pevarello, P; Roussel, P; Varasi, M; Volpi, D; Vulpetti, A; Ciomei, M Optimization of 6,6-dimethyl pyrrolo[3,4-c]pyrazoles: Identification of PHA-793887, a potent CDK inhibitor suitable for intravenous dosing. Bioorg Med Chem18:1844-53 (2010) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1 |
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Name: | Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1 |
Synonyms: | CDK1/B | CDK1/Cyclin B | CDK1/CyclinB | Cyclin B/Dependent Kinase 1 (CDK1) | Cyclin-Dependent Kinase 1 (CDK1) | Cyclin-dependent kinase 1/cyclin B1 | Cyclin-dependent kinase/G2/mitotic-specific cyclin 1 | cdk1 |
Type: | Protein Complex |
Mol. Mass.: | n/a |
Description: | CDK1/Cyclin B 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 1 |
Synonyms: | CDC2 | CDC28A | CDK1 | CDK1_HUMAN | CDKN1 | Cell division control protein 2 homolog | Cell division protein kinase 1 | Cyclin-dependent kinase 1 (CDK1) | P34CDC2 | p34 protein kinase |
Type: | Enzyme Subunit |
Mol. Mass.: | 34101.08 |
Organism: | Homo sapiens (Human) |
Description: | P06493 |
Residue: | 297 |
Sequence: | MEDYTKIEKIGEGTYGVVYKGRHKTTGQVVAMKKIRLESEEEGVPSTAIREISLLKELRH
PNIVSLQDVLMQDSRLYLIFEFLSMDLKKYLDSIPPGQYMDSSLVKSYLYQILQGIVFCH
SRRVLHRDLKPQNLLIDDKGTIKLADFGLARAFGIPIRVYTHEVVTLWYRSPEVLLGSAR
YSTPVDIWSIGTIFAELATKKPLFHGDSEIDQLFRIFRALGTPNNEVWPEVESLQDYKNT
FPKWKPGSLASHVKNLDENGLDLLSKMLIYDPAKRISGKMALNHPYFNDLDNQIKKM
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Component 2 |
Name: | G2/mitotic-specific cyclin-B1 |
Synonyms: | CCNB | CCNB1 | CCNB1_HUMAN |
Type: | Enzyme Subunit |
Mol. Mass.: | 48340.95 |
Organism: | Homo sapiens (Human) |
Description: | P14635 |
Residue: | 433 |
Sequence: | MALRVTRNSKINAENKAKINMAGAKRVPTAPAATSKPGLRPRTALGDIGNKVSEQLQAKM
PMKKEAKPSATGKVIDKKLPKPLEKVPMLVPVPVSEPVPEPEPEPEPEPVKEEKLSPEPI
LVDTASPSPMETSGCAPAEEDLCQAFSDVILAVNDVDAEDGADPNLCSEYVKDIYAYLRQ
LEEEQAVRPKYLLGREVTGNMRAILIDWLVQVQMKFRLLQETMYMTVSIIDRFMQNNCVP
KKMLQLVGVTAMFIASKYEEMYPPEIGDFAFVTDNTYTKHQIRQMEMKILRALNFGLGRP
LPLHFLRRASKIGEVDVEQHTLAKYLMELTMLDYDMVHFPPSQIAAGAFCLALKILDNGE
WTPTLQHYLSYTEESLLPVMQHLAKNVVMVNQGLTKHMTVKNKYATSKHAKISTLPQLNS
ALVQDLAKAVAKV
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BDBM50307987 |
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n/a |
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Name | BDBM50307987 |
Synonyms: | CHEMBL604712 | N-[5-(2,2-Dimethylpropanoyl)-6,6-dimethyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-yl]-3,5-difluorobenzamide |
Type | Small organic molecule |
Emp. Form. | C19H22F2N4O2 |
Mol. Mass. | 376.4004 |
SMILES | CC(C)(C)C(=O)N1Cc2c(NC(=O)c3cc(F)cc(F)c3)[nH]nc2C1(C)C |
Structure |
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