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BioAssay: AID 538338

Inhibition of recombinant VEGFR2 after 1 hr by fluorescence polarization assay

Virtual screening was performed to determine potent vascular endothelial growth factor receptor (VEGFR)-2 kinase inhibitors. A database of approximately 820,000 commercial compounds was used for screening, and 100 compounds were chosen as candidate VEGFR-2 inhibitors through pharmacophore modeling and docking studies. These 100 compounds were purchased to test their biological activities: 10 more ..
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 Tested Compounds
 Tested Compounds
All(25)
 
 
Active(25)
 
 
 Tested Substances
 Tested Substances
All(25)
 
 
Active(25)
 
 
 Related BioAssays
 Related BioAssays
AID: 538338
Data Source: ChEMBL (686224)
BioAssay Type: Confirmatory, Concentration-Response Relationship Observed
Depositor Category: Literature, Extracted
BioAssay Version:
Deposit Date: 2011-09-18
Modify Date: 2014-05-25

Data Table ( Complete ):           Active    All
BioActive Compounds: 25
Description:
Title: Pharmacophore modeling and virtual screening studies for new VEGFR-2 kinase inhibitors.

Abstract: Virtual screening was performed to determine potent vascular endothelial growth factor receptor (VEGFR)-2 kinase inhibitors. A database of approximately 820,000 commercial compounds was used for screening, and 100 compounds were chosen as candidate VEGFR-2 inhibitors through pharmacophore modeling and docking studies. These 100 compounds were purchased to test their biological activities: 10 compounds were found to inhibit the enzyme, with IC(50) values ranging from 10 to 1 muM. Compound 1, which has a triazinoindole ring, inhibited the enzymatic activity of VEGFR-2, with an IC(50) value of about 1.6 muM, making it the most potent inhibitor of this enzyme. The triazinoindole derivative may therefore serve as the starting point in the design of new VEGFR-2 kinase inhibitors.
(PMID: 20869793)
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: 10980
Target Type: SINGLE PROTEIN
Pref Name: Vascular endothelial growth factor receptor 2
Synonyms: CD_antigen=CD309;Fetal liver kinase 1;FLK-1;KDR;Kinase insert domain receptor;Protein-tyrosine kinase receptor flk-1;Vascular endothelial growth factor receptor 2;VEGFR-2;
Gene Name: FLK1 ;KDR;VEGFR2;
Protein Accession: P35968;
Protein GI: 9087218;
Organism: Homo sapiens
Tax ID: 9606
Target Classification: enzyme kinase protein kinase tk vegfr
Confidence: Homologous single protein target assigned
Relationship Type: Homologous protein target assigned
Categorized Comment
Assay Type: Binding

Assay Data Source: Scientific Literature

BAO: Assay Format: biochemical format

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 valueFloatnM
10IC50 standard valueIC50 standard valueFloatnM

* Activity Concentration.

Data Table (Concise)
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