BDBM50341683 4-(3-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)phenethyl)-6-methylpyridin-2-amine::6-(2-{3-[2-(2-amino-6-methylpyridin-4-yl)ethyl]phenyl}ethyl)-4-methylpyridin-2-amine::CHEMBL1615287

SMILES Cc1cc(nc(c1)N)CCc2cccc(c2)CCc3cc(nc(c3)N)C

InChI Key InChIKey=JVYPSLPLMFVFFX-UHFFFAOYSA-N

Data  3 KI

PDB links: 2 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 3 hits for monomerid = 50341683   

TargetNitric oxide synthase, brain(Rat)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50341683(4-(3-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)phenet...)
Affinity DataKi:  38nMAssay Description:Inhibition of rat recombinant nNOS expressed in Escherichia coli by UV-vis spectrometric analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/3/2011
Entry Details Article
PubMed
TargetNitric oxide synthase, inducible(Mouse)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50341683(4-(3-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)phenet...)
Affinity DataKi:  2.73E+3nMAssay Description:Inhibition of mouse macrophage recombinant iNOS expressed in Escherichia coli by UV-vis spectrometric analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/3/2011
Entry Details Article
PubMed
TargetNitric oxide synthase, endothelial(Bovine)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50341683(4-(3-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)phenet...)
Affinity DataKi:  4.20E+3nMAssay Description:Inhibition of bovine recombinant eNOS expressed in Escherichia coli by UV-vis spectrometric analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/3/2011
Entry Details Article
PubMedPDB3D3D Structure (crystal)