BDBM50255310 CHEMBL479280::N1-{(+/-)-4'-[(6''-amino-4''-methylpyridin-2''-yl)methyl]pyrrolidin-3'-yl}-N2-[3'-(trifluoromethyl)benzyl]ethane-1,2-diamine::US9090589, 3

SMILES Cc1cc(N)nc(C[C@H]2CNC[C@H]2NCCNCc2cccc(c2)C(F)(F)F)c1

InChI Key InChIKey=GBPMVSCCYQKGHL-UHFFFAOYSA-N

Data  6 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 6 hits for monomerid = 50255310   

TargetNitric oxide synthase, brain(Rat)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50255310(N1-{(+/-)-4'-[(6''-amino-4''-methylpyridin-2''-yl)...)
Affinity DataKi:  206nMAssay Description:Inhibition of rat recombinant nNOS expressed in Escherichia coli by hemoglobin capture assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetNitric oxide synthase, brain(Human)
Northwestern University

US Patent
LigandPNGBDBM50255310(N1-{(+/-)-4'-[(6''-amino-4''-methylpyridin-2''-yl)...)
Affinity DataKi:  210nMAssay Description:Recombinant NOS isozymes over-expressed in E. coli were utilized. (Ji, H., et al., Discovery of highly potent and selective inhibitors of neuronal ni...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/21/2016
Entry Details
Go to US Patent

TargetNitric oxide synthase, inducible(Human)
Northwestern University

US Patent
LigandPNGBDBM50255310(N1-{(+/-)-4'-[(6''-amino-4''-methylpyridin-2''-yl)...)
Affinity DataKi:  1.36E+4nMAssay Description:Recombinant NOS isozymes over-expressed in E. coli were utilized. (Ji, H., et al., Discovery of highly potent and selective inhibitors of neuronal ni...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/21/2016
Entry Details
Go to US Patent

TargetNitric oxide synthase, inducible(Mouse)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50255310(N1-{(+/-)-4'-[(6''-amino-4''-methylpyridin-2''-yl)...)
Affinity DataKi:  1.36E+4nMAssay Description:Inhibition of mouse recombinant iNOS expressed in Escherichia coli by hemoglobin capture assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetNitric oxide synthase, endothelial(Human)
Northwestern University

US Patent
LigandPNGBDBM50255310(N1-{(+/-)-4'-[(6''-amino-4''-methylpyridin-2''-yl)...)
Affinity DataKi:  1.16E+5nMAssay Description:Recombinant NOS isozymes over-expressed in E. coli were utilized. (Ji, H., et al., Discovery of highly potent and selective inhibitors of neuronal ni...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/21/2016
Entry Details
Go to US Patent

TargetNitric oxide synthase, endothelial(Bovine)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50255310(N1-{(+/-)-4'-[(6''-amino-4''-methylpyridin-2''-yl)...)
Affinity DataKi:  1.16E+5nMAssay Description:Inhibition of bovine recombinant eNOS expressed in Escherichia coli by hemoglobin capture assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed