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BioAssay: AID 552006

Inhibition of human CDK1/cyclinB at 10 uM after 60 mins by TR-FRET assay

In this Letter, we describe the discovery of selective JNK2 and JNK3 inhibitors, such as 10, that routinely exhibit >10-fold selectivity over JNK1 and >1000-fold selectivity over related MAPKs, p38I+/- and ERK2. Substitution of the naphthalene ring affords an isoform selective JNK3 inhibitor, 30, with approximately 10-fold selectivity over both JNK1 and JNK2. A naphthalene ring penetrates deep into the selectivity pocket accounting for the differentiation amongst the kinases. Interestingly, the gatekeeper Met146 sulfide interacts with the naphthalene ring in a sulfur-I ..more
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 Tested Compounds
 Tested Compounds
All(1)
 
 
Unspecified(1)
 
 
 Tested Substances
 Tested Substances
All(1)
 
 
Unspecified(1)
 
 
 Related BioAssays
 Related BioAssays
AID: 552006
Data Source: ChEMBL (700534)
Depositor Category: Literature, Extracted
BioAssay Version:
Deposit Date: 2011-09-18
Modify Date: 2014-05-26

Data Table ( Complete ):           All
Tested Compound:
Description:
Title: Highly selective c-Jun N-terminal kinase (JNK) 2 and 3 inhibitors with in vitro CNS-like pharmacokinetic properties prevent neurodegeneration.

Abstract: In this Letter, we describe the discovery of selective JNK2 and JNK3 inhibitors, such as 10, that routinely exhibit >10-fold selectivity over JNK1 and >1000-fold selectivity over related MAPKs, p38I+/- and ERK2. Substitution of the naphthalene ring affords an isoform selective JNK3 inhibitor, 30, with approximately 10-fold selectivity over both JNK1 and JNK2. A naphthalene ring penetrates deep into the selectivity pocket accounting for the differentiation amongst the kinases. Interestingly, the gatekeeper Met146 sulfide interacts with the naphthalene ring in a sulfur-I
(PMID: 21112785)
Comment
Putative Target:

ChEMBL Target ID: 104709
Target Type: PROTEIN COMPLEX
Pref Name: Cyclin-dependent kinase 1/cyclin B
Synonyms: G2/mitotic-specific cyclin-B2;G2/mitotic-specific cyclin-B3;G2/mitotic-specific cyclin-B1;CDK1;Cell division control protein 2 homolog;Cell division protein kinase 1;Cyclin-dependent kinase 1;p34 protein kinase;
Gene Name: CCNB2;CCNB3;CYCB3;CCNB;CCNB1;CDC2 ;CDC28A;CDK1;CDKN1;P34CDC2;
Protein Accession: O95067;Q8WWL7;P14635;P06493;
Protein GI: 5921731;209572596;116176;334302921;
Organism: Homo sapiens
Tax ID: 9606
Target Classification 1: cytosolic other
Target Classification 2: enzyme kinase protein kinase cmgc cdk cdc2
Confidence: Homologous protein complex subunits assigned
Relationship Type: Homologous protein target assigned
Categorized Comment
Assay Type: Binding

Assay Data Source: Scientific Literature

BAO: Assay Format: biochemical format

Result Definitions
TIDNameDescriptionHistogramTypeUnit
OutcomeThe BioAssay activity outcomeOutcome
1Inhibition activity commentInhibition activity commentString
2Inhibition standard flagInhibition standard flagInteger
3Inhibition qualifierInhibition qualifierString
4Inhibition published valueInhibition published valueFloat%
5Inhibition standard valueInhibition standard valueFloat%

Data Table (Concise)
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