BDBM50014716 CHEMBL3262025::US10759791, Compound 8S::US9951014, Name 8S

SMILES Cc1cc(nc(c1)N)CCc2cc(cnc2)[C@H](Cc3cc(cc(n3)N)C)CN

InChI Key InChIKey=HKLFDCGBVFYQPQ-UHFFFAOYSA-N

Data  9 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 9 hits for monomerid = 50014716   

TargetNitric oxide synthase, brain(Rat)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50014716(CHEMBL3262025 | US9951014, Name 8S | US10759791, C...)
Affinity DataKi:  70nMAssay 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 Depth
Date in BDB:
2/9/2015
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetNitric oxide synthase, brain(Human)
Northwestern University

US Patent
LigandPNGBDBM50014716(CHEMBL3262025 | US9951014, Name 8S | US10759791, C...)
Affinity DataKi:  70nMAssay 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 Depth
Date in BDB:
3/16/2020
Entry Details
Go to US Patent

TargetNitric oxide synthase, brain(Rat)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50014716(CHEMBL3262025 | US9951014, Name 8S | US10759791, C...)
Affinity DataKi:  70nMAssay 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, inducible(Mouse)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50014716(CHEMBL3262025 | US9951014, Name 8S | US10759791, C...)
Affinity DataKi:  4.39E+3nMAssay 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 Depth
Date in BDB:
2/9/2015
Entry Details Article
PubMed
TargetNitric oxide synthase, inducible(Human)
Northwestern University

US Patent
LigandPNGBDBM50014716(CHEMBL3262025 | US9951014, Name 8S | US10759791, C...)
Affinity DataKi:  4.39E+3nMAssay 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 Depth
Date in BDB:
3/16/2020
Entry Details
Go to US Patent

TargetNitric oxide synthase, inducible(Mouse)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50014716(CHEMBL3262025 | US9951014, Name 8S | US10759791, C...)
Affinity DataKi:  4.39E+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
LigandPNGBDBM50014716(CHEMBL3262025 | US9951014, Name 8S | US10759791, C...)
Affinity DataKi:  1.94E+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 Depth
Date in BDB:
2/9/2015
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetNitric oxide synthase, endothelial(Human)
Northwestern University

US Patent
LigandPNGBDBM50014716(CHEMBL3262025 | US9951014, Name 8S | US10759791, C...)
Affinity DataKi:  1.94E+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 Depth
Date in BDB:
3/16/2020
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)
TargetNitric oxide synthase, endothelial(Bovine)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50014716(CHEMBL3262025 | US9951014, Name 8S | US10759791, C...)
Affinity DataKi:  1.94E+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
PDB3D3D Structure (crystal)