Reaction Details |
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Target | Cyclin-dependent kinase 6/G1/S-specific cyclin-D1 |
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Ligand | BDBM7533 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_755647 (CHEMBL1805472) |
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IC50 | 23500±n/a nM |
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Citation | Heathcote, DA; Patel, H; Kroll, SH; Hazel, P; Periyasamy, M; Alikian, M; Kanneganti, SK; Jogalekar, AS; Scheiper, B; Barbazanges, M; Blum, A; Brackow, J; Siwicka, A; Pace, RD; Fuchter, MJ; Snyder, JP; Liotta, DC; Freemont, PS; Aboagye, EO; Coombes, RC; Barrett, AG; Ali, S A novel pyrazolo[1,5-a]pyrimidine is a potent inhibitor of cyclin-dependent protein kinases 1, 2, and 9, which demonstrates antitumor effects in human tumor xenografts following oral administration. J Med Chem53:8508-22 (2010) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Cyclin-dependent kinase 6/G1/S-specific cyclin-D1 |
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Name: | Cyclin-dependent kinase 6/G1/S-specific cyclin-D1 |
Synonyms: | CDK6/cyclin D1 | Cyclin-dependent kinase 6/G1/S-specific cyclin D1 |
Type: | n/a |
Mol. Mass.: | n/a |
Description: | ASSAY_ID of ChEMBL is 1935149 |
Components: | This complex has 2 components. |
Component 1 |
Name: | G1/S-specific cyclin-D1 |
Synonyms: | B-cell lymphoma 1 protein | BCL-1 | BCL-1 oncogene | BCL1 | CCND1 | CCND1_HUMAN | PRAD1 | PRAD1 oncogene |
Type: | Enzyme Subunit |
Mol. Mass.: | 33717.70 |
Organism: | Homo sapiens (Human) |
Description: | n/a |
Residue: | 295 |
Sequence: | MEHQLLCCEVETIRRAYPDANLLNDRVLRAMLKAEETCAPSVSYFKCVQKEVLPSMRKIV
ATWMLEVCEEQKCEEEVFPLAMNYLDRFLSLEPVKKSRLQLLGATCMFVASKMKETIPLT
AEKLCIYTDNSIRPEELLQMELLLVNKLKWNLAAMTPHDFIEHFLSKMPEAEENKQIIRK
HAQTFVALCATDVKFISNPPSMVAAGSVVAAVQGLNLRSPNNFLSYYRLTRFLSRVIKCD
PDCLRACQEQIEALLESSLRQAQQNMDPKAAEEEEEEEEEVDLACTPTDVRDVDI
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Component 2 |
Name: | Cyclin-dependent kinase 6 |
Synonyms: | CDK6 | CDK6_HUMAN | CDKN6 | Cell division protein kinase 6 | Cyclin-dependent kinase 6 (CDK 6) | Serine/threonine-protein kinase PLSTIRE |
Type: | Enzyme Subunit |
Mol. Mass.: | 36937.42 |
Organism: | Homo sapiens (Human) |
Description: | Q00534 |
Residue: | 326 |
Sequence: | MEKDGLCRADQQYECVAEIGEGAYGKVFKARDLKNGGRFVALKRVRVQTGEEGMPLSTIR
EVAVLRHLETFEHPNVVRLFDVCTVSRTDRETKLTLVFEHVDQDLTTYLDKVPEPGVPTE
TIKDMMFQLLRGLDFLHSHRVVHRDLKPQNILVTSSGQIKLADFGLARIYSFQMALTSVV
VTLWYRAPEVLLQSSYATPVDLWSVGCIFAEMFRRKPLFRGSSDVDQLGKILDVIGLPGE
EDWPRDVALPRQAFHSKSAQPIEKFVTDIDELGKDLLLKCLTFNPAKRISAYSALSHPYF
QDLERCKENLDSHLPPSQNTSELNTA
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BDBM7533 |
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n/a |
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Name | BDBM7533 |
Synonyms: | (2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]amino]butan-1-ol | (2R)-2-[[6-(benzylamino)-9-propan-2-ylpurin-2-yl]amino]butan-1-ol | (2R)-2-[[6-[(phenylmethyl)amino]-9-propan-2-yl-2-purinyl]amino]-1-butanol | (2R)-2-[[6-[(phenylmethyl)amino]-9-propan-2-yl-purin-2-yl]amino]butan-1-ol | (2R)-2-{[6-(benzylamino)-9-(propan-2-yl)-9H-purin-2-yl]amino}butan-1-ol | (R)-Roscovitine | 2,6,9-Trisubstituted purine deriv. 28 | CHEMBL14762 | CYC-202 | Roscovitine | cid_160355 |
Type | Small organic molecule |
Emp. Form. | C19H26N6O |
Mol. Mass. | 354.4493 |
SMILES | CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r| |
Structure |
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