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BioAssay: AID 415946

Binding affinity to iNOS with heme domain construct assessed as spectral binding constant by spectral assay

4,4-Difluoro-l-arginine and 4,4-difluoro-N(G)-hydroxy-l-arginine were synthesized and shown to be substrates for the inducible isoform of nitric oxide synthase (iNOS). Binding of both fluorinated analogues to the NOS active site was also investigated using a spectral binding assay employing a heme domain construct of the inducible NOS isoform (iNOS(heme)). 4,4-Difluoro-N(G)-hydroxy-arginine was found to bind at the NOS active site in a unique manner consistent with a model involving ligation of the Fe(III) heme center by the oxygen atom of the N(G)-hydroxy moiety. ..more
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 Tested Compounds
 Tested Compounds
All(4)
 
 
Active(2)
 
 
Unspecified(2)
 
 
 Tested Substances
 Tested Substances
All(4)
 
 
Active(2)
 
 
Unspecified(2)
 
 
 Related BioAssays
 Related BioAssays
AID: 415946
Data Source: ChEMBL (563975)
BioAssay Type: Confirmatory, Concentration-Response Relationship Observed
Depositor Category: Literature, Extracted
BioAssay Version:
Deposit Date: 2010-05-26
Modify Date: 2014-08-23

Data Table ( Complete ):           View Active Data    View All Data
BioActive Compounds: 2
Description:
Title: 4,4-Difluorinated analogues of l-arginine and N(G)-hydroxy-l-arginine as mechanistic probes for nitric oxide synthase.

Abstract: 4,4-Difluoro-l-arginine and 4,4-difluoro-N(G)-hydroxy-l-arginine were synthesized and shown to be substrates for the inducible isoform of nitric oxide synthase (iNOS). Binding of both fluorinated analogues to the NOS active site was also investigated using a spectral binding assay employing a heme domain construct of the inducible NOS isoform (iNOS(heme)). 4,4-Difluoro-N(G)-hydroxy-arginine was found to bind at the NOS active site in a unique manner consistent with a model involving ligation of the Fe(III) heme center by the oxygen atom of the N(G)-hydroxy moiety.
(PMID: 19230661)
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: 12425
Target Type: SINGLE PROTEIN
Pref Name: Nitric oxide synthase, inducible
Synonyms: HEP-NOS;Hepatocyte NOS;Inducible NO synthase;Inducible NOS;iNOS;Nitric oxide synthase; inducible;NOS type II;Peptidyl-cysteine S-nitrosylase NOS2;
Gene Name: NOS2;NOS2A;
Protein Accession: P35228;
Protein GI: 1352513;
Organism: Homo sapiens
Tax ID: 9606
Target Classification: enzyme
Confidence: Homologous single protein target assigned
Relationship Type: Homologous protein target assigned
Categorized Comment - additional comments and annotations
From BioAssay Depositor:
Assay Type: Binding
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 valueFloatmM
10Kd standard valueKd standard valueFloatnM
11Kd data validityKd data validityString
12Kd activity commentKd activity commentString
13Kd standard flagKd standard flagInteger
14Kd qualifierKd qualifierString
15Kd published valueKd published valueFloatμM
16Kd standard valueKd standard valueFloatnM
17Kd data validityKd data validityString

* Activity Concentration.

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