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BioAssay: AID 408847

Inhibition of CDK1/Cyclin B1 expressed in Sf9 cells-baculovirus system assessed as retinoblastoma susceptibility gene product phosphorylation

The cyclin-dependent kinases (CDKs), as complexes with their respective partners, the cyclins, are critical regulators of cell cycle progression. Because aberrant regulations of CDK4/cyclin D1 lead to uncontrolled cell proliferation, a hallmark of cancer, small-molecule inhibitors of CDK4/cyclin D1 are attractive as prospective antitumor agents. The series of more ..
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 Tested Compounds
 Tested Compounds
All(53)
 
 
Active(8)
 
 
Unspecified(45)
 
 
 Tested Substances
 Tested Substances
All(53)
 
 
Active(8)
 
 
Unspecified(45)
 
 
 Related BioAssays
 Related BioAssays
AID: 408847
Data Source: ChEMBL (556876)
Depositor Category: Literature, Extracted
BioAssay Version:
Deposit Date: 2010-05-26
Modify Date: 2013-11-20

Data Table ( Complete ):           Active    All
BioActive Compounds: 8
Description:
Title: 4-(Phenylaminomethylene)isoquinoline-1,3(2H,4H)-diones as potent and selective inhibitors of the cyclin-dependent kinase 4 (CDK4).

Abstract: The cyclin-dependent kinases (CDKs), as complexes with their respective partners, the cyclins, are critical regulators of cell cycle progression. Because aberrant regulations of CDK4/cyclin D1 lead to uncontrolled cell proliferation, a hallmark of cancer, small-molecule inhibitors of CDK4/cyclin D1 are attractive as prospective antitumor agents. The series of 4-(phenylaminomethylene)isoquinoline-1,3(2H,4H)-dione derivatives reported here represents a novel class of potent inhibitors that selectively inhibit CDK4 over CDK2 and CDK1 activities. In the headpiece of the 4-(phenylaminomethylene)isoquinoline-1,3(2H,4H)-dione, a basic amine substituent is required on the aniline ring for the CDK4 inhibitory activity. The inhibitory activity is further enhanced when an aryl or heteroaryl substituent is introduced at the C-6 position of the isoquinoline-1,3(2H,4H)-dione core. We present here SAR data and a CDK4 mimic model that explains the binding, potency, and selectivity of our CDK4 selective inhibitors.
(PMID: 18494457)
Comment
Compounds with activity <= 50uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Putative Target:

ChEMBL Target ID: 12071
Target Type: SINGLE PROTEIN
Pref Name: Cyclin-dependent kinase 1
Synonyms: CDK1;Cell division control protein 2 homolog;Cell division protein kinase 1;Cyclin-dependent kinase 1;p34 protein kinase;
Gene Name: CDC2 ;CDC28A;CDK1;CDKN1;P34CDC2;
Protein Accession: P06493;
Protein GI: 334302921;
Organism: Homo sapiens
Tax ID: 9606
Target Classification: enzyme kinase protein kinase ser_thr cmgc cdk cdc2
Confidence: Multiple homologous protein targets may be assigned
Relationship Type: Homologous protein target assigned
Categorized Comment
ChEMBL Assay Type: Binding

ChEMBL Assay Data Source: Scientific Literature

Result Definitions
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TIDNameDescriptionHistogramTypeUnit
OutcomeThe BioAssay activity outcomeOutcome
1IC50*IC50 PubChem standard valueFloatμM
2BEIBinding Efficiency Index(nM)Float
3SEISurface Efficiency Index(nM)Float
4LELigand EfficiencyFloat
5LLELipophilic Ligand EfficiencyFloat
6IC50 activity commentIC50 activity commentString
7IC50 standard flagIC50 standard flagInteger
8IC50 qualifierIC50 qualifierString
9IC50 published valueIC50 published valueFloatμM
10IC50 standard valueIC50 standard valueFloatnM

* Activity Concentration.

Data Table (Concise)
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