BDBM50014709 CHEMBL3262018::US10759791, Compound 3R::US9951014, Name 3R

SMILES Cc1cc(N)nc(CCc2cccc(c2)[C@H](N)Cc2cc(C)cc(N)n2)c1

InChI Key InChIKey=HPGDXHOKQNTRIC-UHFFFAOYSA-N

Data  9 KI  1 Kd

PDB links: 3 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50014709   

TargetNitric oxide synthase oxygenase(Bacillus subtilis (strain 168))
University of California Irvine

LigandPNGBDBM50014709(CHEMBL3262018 | US9951014, Name 3R | US10759791, C...)
Affinity DataKd:  2.56E+4nMAssay 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
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetNitric oxide synthase, brain(Rat)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50014709(CHEMBL3262018 | US9951014, Name 3R | US10759791, C...)
Affinity DataKi:  122nMAssay Description:Inhibition of purified rat nNOS assessed as inhibition of nitric oxide-mediated oxidation of hemoglobin-A by hemoglobin capture assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetNitric oxide synthase, brain(Human)
Northwestern University

US Patent
LigandPNGBDBM50014709(CHEMBL3262018 | US9951014, Name 3R | US10759791, C...)
Affinity DataKi:  122nMAssay Description:The NOSs isoform assays involved subjecting 3-8 to an oxyhemoglobin NO capture assay using a Biotek Gen5 microplate reader. IC50 values for each comp...More data for this Ligand-Target Pair
In DepthDetails
US Patent

TargetNitric oxide synthase, brain(Rat)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50014709(CHEMBL3262018 | US9951014, Name 3R | US10759791, C...)
Affinity DataKi:  122nMAssay 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 DepthDetails
US Patent
PDB3D3D Structure (crystal)
TargetNitric oxide synthase, endothelial(Bovine)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50014709(CHEMBL3262018 | US9951014, Name 3R | US10759791, C...)
Affinity DataKi:  1.44E+4nMAssay Description:Inhibition of purified bovine eNOS assessed as inhibition of nitric oxide-mediated oxidation of hemoglobin-A by hemoglobin capture assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetNitric oxide synthase, endothelial(Human)
Northwestern University

US Patent
LigandPNGBDBM50014709(CHEMBL3262018 | US9951014, Name 3R | US10759791, C...)
Affinity DataKi:  1.44E+4nMAssay Description:The NOSs isoform assays involved subjecting 3-8 to an oxyhemoglobin NO capture assay using a Biotek Gen5 microplate reader. IC50 values for each comp...More data for this Ligand-Target Pair
In DepthDetails
US Patent
PDB3D3D Structure (crystal)
TargetNitric oxide synthase, endothelial(Bovine)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50014709(CHEMBL3262018 | US9951014, Name 3R | US10759791, C...)
Affinity DataKi:  1.44E+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 DepthDetails
US Patent
PDB3D3D Structure (crystal)
TargetNitric oxide synthase, inducible(Mouse)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50014709(CHEMBL3262018 | US9951014, Name 3R | US10759791, C...)
Affinity DataKi:  1.56E+4nMAssay Description:Inhibition of purified mouse iNOS assessed as inhibition of nitric oxide-mediated oxidation of hemoglobin-A by hemoglobin capture assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetNitric oxide synthase, inducible(Human)
Northwestern University

US Patent
LigandPNGBDBM50014709(CHEMBL3262018 | US9951014, Name 3R | US10759791, C...)
Affinity DataKi:  1.56E+4nMAssay Description:The NOSs isoform assays involved subjecting 3-8 to an oxyhemoglobin NO capture assay using a Biotek Gen5 microplate reader. IC50 values for each comp...More data for this Ligand-Target Pair
In DepthDetails
US Patent

TargetNitric oxide synthase, inducible(Mouse)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50014709(CHEMBL3262018 | US9951014, Name 3R | US10759791, C...)
Affinity DataKi:  1.56E+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 DepthDetails
US Patent