Inhibition of human nNOS expressed in HEK293 cells assessed as NO production by 2,3-diaminonapthalene-based fluorescence assay - BioAssay Summary
The overproduction of nitric oxide during the biological response to inflammation by the nitric oxide synthase (NOS) enzymes have been implicated in the pathology of many diseases. By removal of the amide core from uHTS-derived quinolone 4, a new series highly potent heteroaromatic-aminomethyl quinolone iNOS inhibitors 8 were identified. SAR studies led to identification of piperazine 22 and pyrimidine 32, both of which reduced plasma nitrates following oral dosing in a mouse lipopolysaccharide challenge assay. ..more
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 Tested Compounds
 Tested Compounds
All(23)
 
 
Active(20)
 
 
Inconclusive(3)
 
 
 Tested Substances
 Tested Substances
All(23)
 
 
Active(20)
 
 
Inconclusive(3)
 
 
 Related BioAssays
 Related BioAssays
Table of Contents
AID: 643399
Data Source: ChEMBL (800847)
Depositor Category: Literature, Extracted
BioAssay Version:
Deposit Date: 2012-09-09
Modify Date: 2013-05-16

Data Table (Complete):           Active    All
Target
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Sequence: RecName: Full=Nitric oxide synthase, brain; AltName: Full=Constitutive NOS; AltName: Full=NC-NOS; AltName: Full=NOS type I; AltName: Full=Neuronal NOS; Short=N-NOS; Short=nNOS; AltName: Full=Peptidyl-cysteine S-nitrosylase NOS1; AltName: Full=bNOS
Description ..   
Protein Family: NOS_oxygenase_euk
Comment ..   

Gene:NOS1     Related Protein 3D Structures
BioActive Compounds: 20
Description:
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Title: Heteroaromatic-aminomethyl quinolones: potent and selective iNOS inhibitors.

Abstract: The overproduction of nitric oxide during the biological response to inflammation by the nitric oxide synthase (NOS) enzymes have been implicated in the pathology of many diseases. By removal of the amide core from uHTS-derived quinolone 4, a new series highly potent heteroaromatic-aminomethyl quinolone iNOS inhibitors 8 were identified. SAR studies led to identification of piperazine 22 and pyrimidine 32, both of which reduced plasma nitrates following oral dosing in a mouse lipopolysaccharide challenge assay.
(PMID: 22182498)
Comment
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Compounds with activity <= 50uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Categorized Comment
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ChEMBL Assay Type: Binding

ChEMBL Assay Data Source: Scientific Literature

ChEMBL Target ID: 11037

ChEMBL target type: Target is a single protein chain

Result Definitions
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TIDNameDescriptionHistogramTypeUnit
OutcomeThe BioAssay activity outcomeOutcome
1IC50*IC50 PubChem standard valueFloatμM
2BEIBinding Efficiency Index(nM)Float
3SEISurface Efficiency Index(nM)Float
4IC50 activity commentIC50 activity commentString
5IC50 standard flagIC50 standard flagInteger
6IC50 qualifierIC50 qualifierString
7IC50 published valueIC50 published valueFloatnM
8IC50 standard valueIC50 standard valueFloatnM
* Activity Concentration.

Data Table (Concise)
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Classification
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