BDBM50341681 4-(2-(5-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)pyridin-3-yl)ethyl)-6-methylpyridin-2-amine::6-(2-{5-[2-(2-amino-6-methylpyridin-4-yl)ethyl]pyridin-3-yl}ethyl)-4-methylpyridin-2-amine::CHEMBL1615289::NOS Inhibitor, 3k

SMILES Cc1cc(N)nc(CCc2cncc(CCc3cc(C)nc(N)c3)c2)c1

InChI Key InChIKey=RDXKSGCNYFTVRW-UHFFFAOYSA-N

Data  6 KI  1 Kd

PDB links: 4 PDB IDs match this monomer.

  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 7 hits for monomerid = 50341681   

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

LigandPNGBDBM50341681(4-(2-(5-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)pyr...)
Affinity DataKi:  103nMAssay 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
LigandPNGBDBM50341681(4-(2-(5-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)pyr...)
Affinity DataKi:  103nMAssay 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, inducible(Homo sapiens (Human))
University of California Irvine

LigandPNGBDBM50341681(4-(2-(5-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)pyr...)
Affinity DataKi:  1.91E+3nMAssay Description:Inhibition assay using nitric oxide synthases.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNitric oxide synthase, inducible(Mus musculus (mouse))
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50341681(4-(2-(5-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)pyr...)
Affinity DataKi:  1.91E+3nMAssay 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(Homo sapiens (Human))
University of California Irvine

LigandPNGBDBM50341681(4-(2-(5-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)pyr...)
Affinity DataKi:  1.61E+4nMAssay Description:Inhibition assay using nitric oxide synthases.More data for this Ligand-Target Pair
TargetNitric oxide synthase, endothelial(Bos taurus (bovine))
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50341681(4-(2-(5-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)pyr...)
Affinity DataKi:  1.61E+4nMAssay Description:Inhibition of bovine recombinant eNOS expressed in Escherichia coli by UV-vis spectrometric analysisMore data for this Ligand-Target Pair
TargetNitric oxide synthase oxygenase(Bacillus subtilis (Firmicutes))
University of California Irvine

LigandPNGBDBM50341681(4-(2-(5-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)pyr...)
Affinity DataKd:  5.03E+3nMAssay Description:In short, the difference between the imidazole-bound low-spin peak at 430 nm and the inhibitorbound high-spin peak at 395 nm was measured as a functi...More data for this Ligand-Target Pair