Reaction Details |
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Target | Cyclin-T1/Cyclin-dependent kinase 9 |
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Ligand | BDBM50250822 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1682208 (CHEMBL4032485) |
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IC50 | 159±n/a nM |
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Citation | Singh, U; Chashoo, G; Khan, SU; Mahajan, P; Nargotra, A; Mahajan, G; Singh, A; Sharma, A; Mintoo, MJ; Guru, SK; Aruri, H; Thatikonda, T; Sahu, P; Chibber, P; Kumar, V; Mir, SA; Bharate, SS; Madishetti, S; Nandi, U; Singh, G; Mondhe, DM; Bhushan, S; Malik, F; Mignani, S; Vishwakarma, RA; Singh, PP Design of Novel 3-Pyrimidinylazaindole CDK2/9 Inhibitors with Potent In Vitro and In Vivo Antitumor Efficacy in a Triple-Negative Breast Cancer Model. J Med Chem60:9470-9489 (2017) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Cyclin-T1/Cyclin-dependent kinase 9 |
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Name: | Cyclin-T1/Cyclin-dependent kinase 9 |
Synonyms: | CDK9/ Cyclin-T1 | CDK9/CycT1 | CDK9/Cyclin T | CDK9/Cyclin T1 | Cyclin T1/dependent kinase 9 | Cyclin-Dependent Kinase 9 (CDK9) |
Type: | Protein Complex |
Mol. Mass.: | n/a |
Description: | n/a |
Components: | This complex has 2 components. |
Component 1 |
Name: | Cyclin-T1 |
Synonyms: | CCNT1 | CCNT1_HUMAN | CycT | CycT1 | Cyclin T | Cyclin T1 | Cyclin-T |
Type: | Enzyme Subunit |
Mol. Mass.: | 80712.40 |
Organism: | Homo sapiens (Human) |
Description: | n/a |
Residue: | 726 |
Sequence: | MEGERKNNNKRWYFTREQLENSPSRRFGVDPDKELSYRQQAANLLQDMGQRLNVSQLTIN
TAIVYMHRFYMIQSFTQFPGNSVAPAALFLAAKVEEQPKKLEHVIKVAHTCLHPQESLPD
TRSEAYLQQVQDLVILESIILQTLGFELTIDHPHTHVVKCTQLVRASKDLAQTSYFMATN
SLHLTTFSLQYTPPVVACVCIHLACKWSNWEIPVSTDGKHWWEYVDATVTLELLDELTHE
FLQILEKTPNRLKRIWNWRACEAAKKTKADDRGTDEKTSEQTILNMISQSSSDTTIAGLM
SMSTSTTSAVPSLPVSEESSSNLTSVEMLPGKRWLSSQPSFKLEPTQGHRTSENLALTGV
DHSLPQDGSNAFISQKQNSKSVPSAKVSLKEYRAKHAEELAAQKRQLENMEANVKSQYAY
AAQNLLSHHDSHSSVILKMPIEGSENPERPFLEKADKTALKMRIPVAGGDKAASSKPEEI
KMRIKVHAAADKHNSVEDSVTKSREHKEKHKTHPSNHHHHHNHHSHKHSHSQLPVGTGNK
RPGDPKHSSQTSNLAHKTYSLSSSFSSSSSTRKRGPSEETGGAVFDHPAKIAKSTKSSSL
NFSFPSLPTMGQMPGHSSDTSGLSFSQPSCKTRVPHSKLDKGPTGANGHNTTQTIDYQDT
VNMLHSLLSAQGVQPTQPTAFEFVRPYSDYLNPRSGGISSRSGNTDKPRPPPLPSEPPPP
LPPLPK
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Component 2 |
Name: | Cyclin-dependent kinase 9 |
Synonyms: | C-2K | CDC2L4 | CDK9 | CDK9_HUMAN | Cell division cycle 2-like protein kinase 4 | Cell division protein kinase 9 | Cyclin-Dependent Kinase 9 (CDK9) | Cyclin-dependent kinase 9 (CDK9) | Serine/threonine-protein kinase PITALRE | TAK | Tat-associated kinase complex catalytic subunit |
Type: | Enzyme Subunit |
Mol. Mass.: | 42789.13 |
Organism: | Homo sapiens (Human) |
Description: | n/a |
Residue: | 372 |
Sequence: | MAKQYDSVECPFCDEVSKYEKLAKIGQGTFGEVFKARHRKTGQKVALKKVLMENEKEGFP
ITALREIKILQLLKHENVVNLIEICRTKASPYNRCKGSIYLVFDFCEHDLAGLLSNVLVK
FTLSEIKRVMQMLLNGLYYIHRNKILHRDMKAANVLITRDGVLKLADFGLARAFSLAKNS
QPNRYTNRVVTLWYRPPELLLGERDYGPPIDLWGAGCIMAEMWTRSPIMQGNTEQHQLAL
ISQLCGSITPEVWPNVDNYELYEKLELVKGQKRKVKDRLKAYVRDPYALDLIDKLLVLDP
AQRIDSDDALNHDFFWSDPMPSDLKGMLSTHLTSMFEYLAPPRRKGSQITQQSTNQSRNP
ATTNQTEFERVF
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BDBM50250822 |
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n/a |
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Name | BDBM50250822 |
Synonyms: | CHEMBL4103720 |
Type | Small organic molecule |
Emp. Form. | C21H15N5 |
Mol. Mass. | 337.3773 |
SMILES | Nc1nccc(n1)-c1c[nH]c2ncc(cc12)-c1cccc2ccccc12 |
Structure |
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