Ki Summary

Reaction Details

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Target

Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2

Ligand

BDBM50361098

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_795072 (CHEMBL1936498)

IC50

>10000±n/a nM

Citation

Caruso, M; Valsasina, B; Ballinari, D; Bertrand, J; Brasca, MG; Caldarelli, M; Cappella, P; Fiorentini, F; Gianellini, LM; Scolaro, A; Beria, I 5-(2-amino-pyrimidin-4-yl)-1H-pyrrole and 2-(2-amino-pyrimidin-4-yl)-1,5,6,7-tetrahydro-pyrrolo[3,2-c]pyridin-4-one derivatives as new classes of selective and orally available Polo-like kinase 1 inhibitors. Bioorg Med Chem Lett22:96-101 (2011) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2

Name:

Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2

Synonyms:

CDK2/Cyclin A/Cyclin A1 | Cyclin A1/A2/dependent kinase 2 | Cyclin-dependent kinase 2/cyclin A

Type:

n/a

Mol. Mass.:

n/a

Description:

ASSAY_ID of EBI is 42813

Components:

This complex has 3 components.

Component 1

Name:

Cyclin-A2

Synonyms:

Type:

Enzyme Subunit

Mol. Mass.:

48550.19

Organism:

Homo sapiens (Human)

Description:

P20248

Residue:

432

Sequence:

MLGNSAPGPATREAGSALLALQQTALQEDQENINPEKAAPVQQPRTRAALAVLKSGNPRG
LAQQQRPKTRRVAPLKDLPVNDEHVTVPPWKANSKQPAFTIHVDEAEKEAQKKPAESQKI
EREDALAFNSAISLPGPRKPLVPLDYPMDGSFESPHTMDMSIILEDEKPVSVNEVPDYHE
DIHTYLREMEVKCKPKVGYMKKQPDITNSMRAILVDWLVEVGEEYKLQNETLHLAVNYID
RFLSSMSVLRGKLQLVGTAAMLLASKFEEIYPPEVAEFVYITDDTYTKKQVLRMEHLVLK
VLTFDLAAPTVNQFLTQYFLHQQPANCKVESLAMFLGELSLIDADPYLKYLPSVIAGAAF
HLALYTVTGQSWPESLIRKTGYTLESLKPCLMDLHQTYLKAPQHAQQSIREKYKNSKYHG
VSLLNPPETLNL

Component 2

Name:

Cyclin-A1

Synonyms:

CCNA1 | CCNA1_HUMAN | CDK2/Cyclin A1 | Cyclin-A1 | Cyclin-A1/Cyclin-dependent kinase 4

Type:

Enzyme

Mol. Mass.:

52343.37

Organism:

Homo sapiens (Human)

Description:

P78396

Residue:

465

Sequence:

METGFPAIMYPGSFIGGWGEEYLSWEGPGLPDFVFQQQPVESEAMHCSNPKSGVVLATVA
RGPDACQILTRAPLGQDPPQRTVLGLLTANGQYRRTCGQGITRIRCYSGSENAFPPAGKK
ALPDCGVQEPPKQGFDIYMDELEQGDRDSCSVREGMAFEDVYEVDTGTLKSDLHFLLDFN
TVSPMLVDSSLLSQSEDISSLGTDVINVTEYAEEIYQYLREAEIRHRPKAHYMKKQPDIT
EGMRTILVDWLVEVGEEYKLRAETLYLAVNFLDRFLSCMSVLRGKLQLVGTAAMLLASKY
EEIYPPEVDEFVYITDDTYTKRQLLKMEHLLLKVLAFDLTVPTTNQFLLQYLRRQGVCVR
TENLAKYVAELSLLEADPFLKYLPSLIAAAAFCLANYTVNKHFWPETLAAFTGYSLSEIV
PCLSELHKAYLDIPHRPQQAIREKYKASKYLCVSLMEPPAVLLLQ

Component 3

Name:

Cyclin-dependent kinase 2

Synonyms:

Type:

Enzyme Subunit

Mol. Mass.:

33938.17

Organism:

Homo sapiens (Human)

Description:

P24941

Residue:

298

Sequence:

MENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRLDTETEGVPSTAIREISLLKELNH
PNIVKLLDVIHTENKLYLVFEFLHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFCHS
HRVLHRDLKPQNLLINTEGAIKLADFGLARAFGVPVRTYTHEVVTLWYRAPEILLGCKYY
STAVDIWSLGCIFAEMVTRRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDYKPSF
PKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQDVTKPVPHLRL

Component 4

Name:

Cyclin-A2

Synonyms:

Type:

Enzyme Subunit

Mol. Mass.:

48550.19

Organism:

Homo sapiens (Human)

Description:

P20248

Residue:

432

Sequence:

MLGNSAPGPATREAGSALLALQQTALQEDQENINPEKAAPVQQPRTRAALAVLKSGNPRG
LAQQQRPKTRRVAPLKDLPVNDEHVTVPPWKANSKQPAFTIHVDEAEKEAQKKPAESQKI
EREDALAFNSAISLPGPRKPLVPLDYPMDGSFESPHTMDMSIILEDEKPVSVNEVPDYHE
DIHTYLREMEVKCKPKVGYMKKQPDITNSMRAILVDWLVEVGEEYKLQNETLHLAVNYID
RFLSSMSVLRGKLQLVGTAAMLLASKFEEIYPPEVAEFVYITDDTYTKKQVLRMEHLVLK
VLTFDLAAPTVNQFLTQYFLHQQPANCKVESLAMFLGELSLIDADPYLKYLPSVIAGAAF
HLALYTVTGQSWPESLIRKTGYTLESLKPCLMDLHQTYLKAPQHAQQSIREKYKNSKYHG
VSLLNPPETLNL

BDBM50361098

n/a

Name

BDBM50361098

Synonyms:

CHEMBL1933581

Type

Small organic molecule

Emp. Form.

C26H30F3N7O4

Mol. Mass.

561.5561

SMILES

Cn1cc(cc1-c1ccnc(Nc2cc(ccc2OC(F)(F)F)N2CCN(CC2)C(=O)OC(C)(C)C)n1)C(N)=O

Structure