BDBM50341684 6,6'-(2,2'-(1,3-Phenylene)bis(ethane-2,1-diyl))bis(4-methylpyridin-2-amine)::CHEMBL1766633::NOS Inhibitor, 3h::US10759791, Compound 31a::US9951014, Name 31a

SMILES Cc1cc(N)nc(CCc2cccc(CCc3cc(C)cc(N)n3)c2)c1

InChI Key InChIKey=GBBKOTDCCCGYNX-UHFFFAOYSA-N

Data  12 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50341684   

TargetNitric oxide synthase, brain(Homo sapiens (Human))
University of California Irvine

LigandPNGBDBM50341684(6,6'-(2,2'-(1,3-Phenylene)bis(ethane-2,1-diyl))bis...)
Affinity DataKi:  38nMAssay Description:Inhibition assay using nitric oxide synthases.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNitric oxide synthase, brain(Rattus norvegicus (rat))
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50341684(6,6'-(2,2'-(1,3-Phenylene)bis(ethane-2,1-diyl))bis...)
Affinity DataKi:  49nMAssay Description:Inhibition of rat recombinant nNOS expressed in Escherichia coli by UV-vis spectrometric analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNitric oxide synthase, brain(Rattus norvegicus (rat))
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50341684(6,6'-(2,2'-(1,3-Phenylene)bis(ethane-2,1-diyl))bis...)
Affinity DataKi:  49nMAssay Description:Enzyme inhibition was evaluated by measuring NO production with the hemoglobin capture assay, which was performed with purified NOSs in 96-well plate...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetNitric oxide synthase, brain(Homo sapiens (Human))
University of California Irvine

LigandPNGBDBM50341684(6,6'-(2,2'-(1,3-Phenylene)bis(ethane-2,1-diyl))bis...)
Affinity DataKi:  49nMAssay Description:The NOSs isoform assays involved subjecting 3-8 to an oxyhemoglobin NO capture assay using a Biotek Gen5™ microplate reader. IC50 values for each com...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetNitric oxide synthase, inducible(Mus musculus (mouse))
Northwestern University

US Patent
LigandPNGBDBM50341684(6,6'-(2,2'-(1,3-Phenylene)bis(ethane-2,1-diyl))bis...)
Affinity DataKi:  682nMAssay Description:Enzyme inhibition was evaluated by measuring NO production with the hemoglobin capture assay, which was performed with purified NOSs in 96-well plate...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetNitric oxide synthase, inducible(Homo sapiens (Human))
Northwestern University

US Patent
LigandPNGBDBM50341684(6,6'-(2,2'-(1,3-Phenylene)bis(ethane-2,1-diyl))bis...)
Affinity DataKi:  682nMAssay Description:The NOSs isoform assays involved subjecting 3-8 to an oxyhemoglobin NO capture assay using a Biotek Gen5™ microplate reader. IC50 values for each com...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetNitric oxide synthase, inducible(Mus musculus (mouse))
Northwestern University

US Patent
LigandPNGBDBM50341684(6,6'-(2,2'-(1,3-Phenylene)bis(ethane-2,1-diyl))bis...)
Affinity DataKi:  682nMAssay Description:Inhibition of mouse macrophage recombinant iNOS expressed in Escherichia coli by UV-vis spectrometric analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNitric oxide synthase, endothelial(Bos taurus (bovine))
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50341684(6,6'-(2,2'-(1,3-Phenylene)bis(ethane-2,1-diyl))bis...)
Affinity DataKi:  1.41E+3nMAssay Description:Inhibition of bovine recombinant eNOS expressed in Escherichia coli by UV-vis spectrometric analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNitric oxide synthase, endothelial(Bos taurus (bovine))
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50341684(6,6'-(2,2'-(1,3-Phenylene)bis(ethane-2,1-diyl))bis...)
Affinity DataKi:  1.41E+3nMAssay Description:Enzyme inhibition was evaluated by measuring NO production with the hemoglobin capture assay, which was performed with purified NOSs in 96-well plate...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetNitric oxide synthase, endothelial(Homo sapiens (Human))
Northwestern University

US Patent
LigandPNGBDBM50341684(6,6'-(2,2'-(1,3-Phenylene)bis(ethane-2,1-diyl))bis...)
Affinity DataKi:  1.41E+3nMAssay Description:The NOSs isoform assays involved subjecting 3-8 to an oxyhemoglobin NO capture assay using a Biotek Gen5™ microplate reader. IC50 values for each com...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetNitric oxide synthase, inducible(Homo sapiens (Human))
Northwestern University

US Patent
LigandPNGBDBM50341684(6,6'-(2,2'-(1,3-Phenylene)bis(ethane-2,1-diyl))bis...)
Affinity DataKi:  2.73E+3nMAssay Description:Inhibition assay using nitric oxide synthases.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNitric oxide synthase, endothelial(Homo sapiens (Human))
Northwestern University

US Patent
LigandPNGBDBM50341684(6,6'-(2,2'-(1,3-Phenylene)bis(ethane-2,1-diyl))bis...)
Affinity DataKi:  4.20E+3nMAssay Description:Inhibition assay using nitric oxide synthases.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed