Ki Summary new BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetCyclin-Dependent Kinase 1 (CDK1)
LigandBDBM7533
Substrate/Competitorn/a
Meas. Tech.ChEMBL_755643
IC50 2100±n/a nM
Citation Heathcote DAPatel HKroll SHHazel PPeriyasamy MAlikian MKanneganti SKJogalekar ASScheiper BBarbazanges MBlum ABrackow JSiwicka APace RDFuchter MJSnyder JPLiotta DCFreemont PSAboagye EOCoombes RCBarrett AGAli 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 Chem 53:8508-22 (2010) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Cyclin-Dependent Kinase 1 (CDK1)
Name:Cyclin-Dependent Kinase 1 (CDK1)
Synonyms:CDK1/B | CDK1/Cyclin B | Cyclin B/Dependent Kinase 1 (CDK1) | Cyclin-dependent kinase 1/cyclin B1 | Cyclin-dependent kinase/G2/mitotic-specific cyclin 1
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/G1/S-specific cyclin-D1
Synonyms:Cell division control protein 2 homolog | Cell division protein kinase 1 | Cyclin-dependent kinase 1 (CDK1) | p34 protein kinase
Type:Enzyme Subunit
Mol. Mass.:34101.08
Organism:Homo sapiens (Human)
Description:P06493
Residue:297
Sequence:
MEDYTKIEKIGEGTYGVVYKGRHKTTGQVVAMKKIRLESEEEGVPSTAIREISLLKELRH
PNIVSLQDVLMQDSRLYLIFEFLSMDLKKYLDSIPPGQYMDSSLVKSYLYQILQGIVFCH
SRRVLHRDLKPQNLLIDDKGTIKLADFGLARAFGIPIRVYTHEVVTLWYRSPEVLLGSAR
YSTPVDIWSIGTIFAELATKKPLFHGDSEIDQLFRIFRALGTPNNEVWPEVESLQDYKNT
FPKWKPGSLASHVKNLDENGLDLLSKMLIYDPAKRISGKMALNHPYFNDLDNQIKKM
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
Component 2
Name:Cyclin-dependent kinase 1/cyclin B
Synonyms:Cyclin B | cyclin B1
Type:Enzyme Subunit
Mol. Mass.:48340.95
Organism:Homo sapiens (Human)
Description:P14635
Residue:433
Sequence:
MALRVTRNSKINAENKAKINMAGAKRVPTAPAATSKPGLRPRTALGDIGNKVSEQLQAKM
PMKKEAKPSATGKVIDKKLPKPLEKVPMLVPVPVSEPVPEPEPEPEPEPVKEEKLSPEPI
LVDTASPSPMETSGCAPAEEDLCQAFSDVILAVNDVDAEDGADPNLCSEYVKDIYAYLRQ
LEEEQAVRPKYLLGREVTGNMRAILIDWLVQVQMKFRLLQETMYMTVSIIDRFMQNNCVP
KKMLQLVGVTAMFIASKYEEMYPPEIGDFAFVTDNTYTKHQIRQMEMKILRALNFGLGRP
LPLHFLRRASKIGEVDVEQHTLAKYLMELTMLDYDMVHFPPSQIAAGAFCLALKILDNGE
WTPTLQHYLSYTEESLLPVMQHLAKNVVMVNQGLTKHMTVKNKYATSKHAKISTLPQLNS
ALVQDLAKAVAKV
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM7533
n/a
NameBDBM7533
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
TypeSmall organic molecule
Emp. Form.C19H26N6O
Mol. Mass.354.4493
SMILESCC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: