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BioAssay: AID 446356

Binding affinity to human PHD2-Mn(II) using 12.5% H2O/87.5% D2O MQC spectrometer operated at 500 MHz at 298K temperature

This report demonstrates that solvent water relaxation measurements can be used for quantitative screening of ligand binding and for mechanistic investigations of enzymes containing paramagnetic metal centers by using conventional NMR instrumentation at high field. The method was exemplified using prolyl hydroxylase domain containing enzyme 2 (PHD2), a human enzyme involved in hypoxic sensing, more ..
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 Tested Compounds
 Tested Compounds
All(8)
 
 
Active(6)
 
 
Unspecified(2)
 
 
 Tested Substances
 Tested Substances
All(8)
 
 
Active(6)
 
 
Unspecified(2)
 
 
AID: 446356
Data Source: ChEMBL (597534)
BioAssay Type: Confirmatory, Concentration-Response Relationship Observed
Depositor Category: Literature, Extracted
BioAssay Version:
Deposit Date: 2010-07-08
Modify Date: 2014-08-24

Data Table ( Complete ):           View Active Data    View All Data
Target
Sequence: RecName: Full=Egl nine homolog 1; AltName: Full=Hypoxia-inducible factor prolyl hydroxylase 2; Short=HIF-PH2; Short=HIF-prolyl hydroxylase 2; Short=HPH-2; AltName: Full=Prolyl hydroxylase domain-containing protein 2; Short=PHD2; AltName: Full=SM-20
Description ..   
Protein Family: Prolyl 4-hydroxylase alpha subunit homologues
Comment ..   

Gene:EGLN1     Related Protein 3D Structures     More BioActivity Data..
BioActive Compounds: 6
Description:
Title: Using NMR solvent water relaxation to investigate metalloenzyme-ligand binding interactions.

Abstract: This report demonstrates that solvent water relaxation measurements can be used for quantitative screening of ligand binding and for mechanistic investigations of enzymes containing paramagnetic metal centers by using conventional NMR instrumentation at high field. The method was exemplified using prolyl hydroxylase domain containing enzyme 2 (PHD2), a human enzyme involved in hypoxic sensing, with Mn(II) substituting for Fe(II) at the active site. K(D) values were determined for inhibitors that hinder access of water to the paramagnetic center. This technique is also useful for investigating the mechanism of suitable metalloenzymes, including order of ligand binding and modes of inhibition.
(PMID: 20025281)
Comment
Compounds with activity <= 50uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.
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
1Kd*Kd PubChem standard valueFloatμM
3BEIBinding Efficiency Index(nM)Float
2SEISurface Efficiency Index(nM)Float
4LELigand EfficiencyFloat
5LLELipophilic Ligand EfficiencyFloat
6Kd activity commentKd activity commentString
7Kd standard flagKd standard flagInteger
8Kd qualifierKd qualifierString
9Kd published valueKd published valueFloatμM
10Kd standard valueKd standard valueFloatnM
11Kd binding domainsKd binding domainsString

* Activity Concentration.

Data Table (Concise)
Data Table ( Complete ):     View Active Data    View All Data
Classification
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