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BioAssay: AID 661614

Inhibition of human Kif5C ATPase activity by pyruvate kinase/lactate dehydrogenase-linked assay

Eg5/KSP is a promising mitotic spindle target for drug discovery in cancer chemotherapy and the development of agents against fungal diseases. A range of Eg5 targeting compounds identified by in vitro or cell-based screening is currently in development. We employed structure-based virtual screening of a database of 700,#000 compounds to identify three novel Eg5 inhibitors bearing quinazoline (24) more ..
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 Tested Compounds
 Tested Compounds
All(9)
 
 
Inactive(5)
 
 
Inconclusive(3)
 
 
Unspecified(1)
 
 
 Tested Substances
 Tested Substances
All(9)
 
 
Inactive(5)
 
 
Inconclusive(3)
 
 
Unspecified(1)
 
 
 Related BioAssays
 Related BioAssays
AID: 661614
Data Source: ChEMBL (818703)
BioAssay Type: Confirmatory, Concentration-Response Relationship Observed
Depositor Category: Literature, Extracted
BioAssay Version:
Deposit Date: 2013-05-16
Modify Date: 2014-08-25

Data Table ( Complete ):           View All Data
Target
Sequence: RecName: Full=Kinesin heavy chain isoform 5C; AltName: Full=Kinesin heavy chain neuron-specific 2
Description ..   
Protein Family: KISc_KHC_KIF5
Comment ..   

Gene:KIF5C     Related Protein 3D Structures     More BioActivity Data..
Tested Compounds:
Description:
Title: Receptor-ligand interaction-based virtual screening for novel Eg5/kinesin spindle protein inhibitors.

Abstract: Eg5/KSP is a promising mitotic spindle target for drug discovery in cancer chemotherapy and the development of agents against fungal diseases. A range of Eg5 targeting compounds identified by in vitro or cell-based screening is currently in development. We employed structure-based virtual screening of a database of 700,#000 compounds to identify three novel Eg5 inhibitors bearing quinazoline (24) or thioxoimidazolidine (30 and 37) scaffolds. The new compounds inhibit Eg5 ATPase activity, show growth inhibition in proliferation assays, and induce monoastral spindles in cells, the characteristic phenotype for Eg5 inhibiting agents. This is the first successful reported procedure for the identification of Eg5 inhibitors via receptor-ligand interaction-based virtual screening.
(PMID: 22309208)
Categorized Comment - additional comments and annotations
From BioAssay Depositor:
Assay Type: Binding
Target Type: Target is a single protein chain
Assay Data Source: Scientific Literature
Result Definitions
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TIDNameDescriptionHistogramTypeUnit
OutcomeThe BioAssay activity outcomeOutcome
1IC50*IC50 PubChem standard valueFloatμM
3BEIBinding Efficiency Index(nM)Float
2SEISurface 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)
Data Table ( Complete ):     View All Data
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