BDBM190666 US10759791, Compound 14h::nNOS inhibitor, 4

SMILES Cc1cc(nc(c1)N)CCc2cc(cnc2)C3CCN(CC3)C

InChI Key InChIKey=UTFTUBTWHNJKBO-UHFFFAOYSA-N

Data  15 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 15 hits for monomerid = 190666   

TargetNitric oxide synthase, brain(Rat)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM190666(nNOS inhibitor, 4 | US10759791, Compound 14h)
Affinity DataKi:  72nMAssay Description:Inhibition of rat recombinant nNOS expressed in Escherichia coli using L-arginine as substrate assessed as reduction in NO production measured for 6 ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/23/2017
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetNitric oxide synthase, brain(Rat)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM190666(nNOS inhibitor, 4 | US10759791, Compound 14h)
Affinity DataKi:  72nMAssay 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 Depth
Date in BDB:
4/18/2021
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)
TargetNitric oxide synthase, endothelial(Rat)
Northwestern University

US Patent
LigandPNGBDBM190666(nNOS inhibitor, 4 | US10759791, Compound 14h)
Affinity DataKi:  72nMAssay 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 Depth
Date in BDB:
4/18/2021
Entry Details
Go to US Patent

TargetNitric oxide synthase, brain(Rat)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM190666(nNOS inhibitor, 4 | US10759791, Compound 14h)
Affinity DataKi:  72.3nM ΔG°:  -10.1kcal/molepH: 7.4 T: 2°CAssay Description:The assay was performed at 37 °C in HEPES buffer (100 mM, with 10% glycerol, pH 7.4) in the presence of 10 uM L-arginine. Also included were 100 ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetNitric oxide synthase, brain(Human)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM190666(nNOS inhibitor, 4 | US10759791, Compound 14h)
Affinity DataKi:  89nMAssay Description:Inhibition of human recombinant nNOS expressed in Escherichia coli using L-arginine as substrate assessed as reduction in NO production measured for ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/23/2017
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetNitric oxide synthase, brain(Human)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM190666(nNOS inhibitor, 4 | US10759791, Compound 14h)
Affinity DataKi:  89nMAssay 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 Depth
Date in BDB:
4/18/2021
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)
TargetNitric oxide synthase, brain(Human)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM190666(nNOS inhibitor, 4 | US10759791, Compound 14h)
Affinity DataKi:  89nMAssay 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 Depth
Date in BDB:
4/18/2021
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)
LigandPNGBDBM190666(nNOS inhibitor, 4 | US10759791, Compound 14h)
Affinity DataKi:  458nM ΔG°:  -8.99kcal/molepH: 7.4 T: 2°CAssay Description:The assay was performed at 37 °C in HEPES buffer (100 mM, with 10% glycerol, pH 7.4) in the presence of 10 uM L-arginine. Also included were 100 ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetNitric oxide synthase, brain [D597N](Rat)
University of California Irvine

LigandPNGBDBM190666(nNOS inhibitor, 4 | US10759791, Compound 14h)
Affinity DataKi:  641nM ΔG°:  -8.78kcal/molepH: 7.4 T: 2°CAssay Description:The assay was performed at 37 °C in HEPES buffer (100 mM, with 10% glycerol, pH 7.4) in the presence of 10 uM L-arginine. Also included were 100 ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetNitric oxide synthase, inducible(Mouse)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM190666(nNOS inhibitor, 4 | US10759791, Compound 14h)
Affinity DataKi:  1.18E+4nMAssay Description:Inhibition of recombinant mouse macrophage iNOS expressed in Escherichia coli using L-arginine as substrate assessed as reduction in NO production me...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/23/2017
Entry Details Article
PubMed
TargetNitric oxide synthase, inducible(Mouse)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM190666(nNOS inhibitor, 4 | US10759791, Compound 14h)
Affinity DataKi:  1.18E+4nMAssay 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 Depth
Date in BDB:
4/18/2021
Entry Details
Go to US Patent

TargetNitric oxide synthase, endothelial(Bovine)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM190666(nNOS inhibitor, 4 | US10759791, Compound 14h)
Affinity DataKi:  2.05E+4nMAssay Description:Inhibition of bovine recombinant eNOS expressed in Escherichia coli using L-arginine as substrate assessed as reduction in NO production measured for...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/23/2017
Entry Details Article
PubMed
TargetNitric oxide synthase, endothelial(Bovine)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM190666(nNOS inhibitor, 4 | US10759791, Compound 14h)
Affinity DataKi:  2.05E+4nMAssay 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 Depth
Date in BDB:
4/18/2021
Entry Details
Go to US Patent

TargetNitric oxide synthase, endothelial(Human)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM190666(nNOS inhibitor, 4 | US10759791, Compound 14h)
Affinity DataKi:  2.25E+4nMAssay Description:Inhibition of human recombinant eNOS expressed in Escherichia coli using L-arginine as substrate assessed as reduction in NO production measured for ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/23/2017
Entry Details Article
PubMed
TargetNitric oxide synthase, endothelial(Human)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM190666(nNOS inhibitor, 4 | US10759791, Compound 14h)
Affinity DataKi:  2.25E+4nMAssay 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 Depth
Date in BDB:
4/18/2021
Entry Details
Go to US Patent