BDBM190667 US10759791, Compound 14j::nNOS inhibitor, 5

SMILES Cc1cc(nc(c1)N)CCc2cc(cnc2)CCCNC

InChI Key InChIKey=YUXWMCKGSHXUGW-UHFFFAOYSA-N

Data  19 KI  2 IC50

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 21 hits for monomerid = 190667   

TargetNitric oxide synthase, brain(Rat)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM190667(nNOS inhibitor, 5 | US10759791, Compound 14j)
Affinity DataIC50: 142nMAssay 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(Human)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM190667(nNOS inhibitor, 5 | US10759791, Compound 14j)
Affinity DataIC50: 91nMAssay 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
LigandPNGBDBM190667(nNOS inhibitor, 5 | US10759791, Compound 14j)
Affinity DataKi:  13nMAssay Description:Inhibition of human neuronal NOS expressed in Escherichia coli using L-arginine as substrate assessed as reduction in NO production by measuring oxid...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/24/2019
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetNitric oxide synthase, brain(Human)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM190667(nNOS inhibitor, 5 | US10759791, Compound 14j)
Affinity DataKi:  13nMAssay 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
LigandPNGBDBM190667(nNOS inhibitor, 5 | US10759791, Compound 14j)
Affinity DataKi:  13nMAssay 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
LigandPNGBDBM190667(nNOS inhibitor, 5 | US10759791, Compound 14j)
Affinity DataKi:  13nMAssay 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(Rat)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM190667(nNOS inhibitor, 5 | US10759791, Compound 14j)
Affinity DataKi:  16nMAssay 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
LigandPNGBDBM190667(nNOS inhibitor, 5 | US10759791, Compound 14j)
Affinity DataKi:  16nMAssay Description:Inhibition of rat neuronal NOS expressed in Escherichia coli using L-arginine as substrate assessed as reduction in NO production by measuring oxidat...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/24/2019
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetNitric oxide synthase, brain(Rat)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM190667(nNOS inhibitor, 5 | US10759791, Compound 14j)
Affinity DataKi:  16nMAssay 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
LigandPNGBDBM190667(nNOS inhibitor, 5 | US10759791, Compound 14j)
Affinity DataKi:  16nMAssay 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
LigandPNGBDBM190667(nNOS inhibitor, 5 | US10759791, Compound 14j)
Affinity DataKi:  16.4nM ΔG°:  -11.0kcal/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

LigandPNGBDBM190667(nNOS inhibitor, 5 | US10759791, Compound 14j)
Affinity DataKi:  46.7nM ΔG°:  -10.4kcal/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)
LigandPNGBDBM190667(nNOS inhibitor, 5 | US10759791, Compound 14j)
Affinity DataKi:  65.3nM ΔG°:  -10.2kcal/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
LigandPNGBDBM190667(nNOS inhibitor, 5 | US10759791, Compound 14j)
Affinity DataKi:  1.89E+3nMAssay 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
LigandPNGBDBM190667(nNOS inhibitor, 5 | US10759791, Compound 14j)
Affinity DataKi:  1.89E+3nMAssay Description:Inhibition of mouse macrophage iNOS expressed in Escherichia coli using L-arginine as substrate assessed as reduction in NO production by measuring o...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/24/2019
Entry Details Article
PubMed
TargetNitric oxide synthase, inducible(Mouse)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM190667(nNOS inhibitor, 5 | US10759791, Compound 14j)
Affinity DataKi:  1.89E+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 Depth
Date in BDB:
4/18/2021
Entry Details
Go to US Patent

TargetNitric oxide synthase, endothelial(Bovine)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM190667(nNOS inhibitor, 5 | US10759791, Compound 14j)
Affinity DataKi:  1.32E+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
LigandPNGBDBM190667(nNOS inhibitor, 5 | US10759791, Compound 14j)
Affinity DataKi:  1.32E+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
LigandPNGBDBM190667(nNOS inhibitor, 5 | US10759791, Compound 14j)
Affinity DataKi:  2.29E+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
LigandPNGBDBM190667(nNOS inhibitor, 5 | US10759791, Compound 14j)
Affinity DataKi:  2.29E+4nMAssay Description:Inhibition of human endothelial NOS expressed in Escherichia coli using L-arginine as substrate assessed as reduction in NO production by measuring o...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/24/2019
Entry Details Article
PubMed
TargetNitric oxide synthase, endothelial(Human)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM190667(nNOS inhibitor, 5 | US10759791, Compound 14j)
Affinity DataKi:  2.29E+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