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BioAssay: AID 446353

Inhibition of human PHD2 at 293K temperature by solvent relaxation technique

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(9)
 
 
Active(4)
 
 
Inactive(1)
 
 
Unspecified(4)
 
 
 Tested Substances
 Tested Substances
All(9)
 
 
Active(4)
 
 
Inactive(1)
 
 
Unspecified(4)
 
 
AID: 446353
Data Source: ChEMBL (597531)
BioAssay Type: Confirmatory, Concentration-Response Relationship Observed
Depositor Category: Literature, Extracted
BioAssay Version:
Deposit Date: 2010-07-08
Modify Date: 2014-05-25

Data Table ( Complete ):           Active    All
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: 4
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
Assay Type: Binding

Assay Data Source: Scientific Literature

BAO: Assay Format: biochemical format

Target Type: Target is a single protein chain

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
11IC50 data validityIC50 data validityString
12IC50 binding domainsIC50 binding domainsString

* Activity Concentration.

Data Table (Concise)
Classification
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