BDBM50014713 CHEMBL3262022::US10759791, Compound 6::US9951014, Name 6

SMILES Cc1cc(N)nc(CCc2cccc(c2)C(CN)Cc2cc(C)cc(N)n2)c1

InChI Key InChIKey=ZFHITWHLDPDYFG-UHFFFAOYSA-N

Data  16 KI

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 50014713   

TargetNitric oxide synthase, brain(Rattus norvegicus (rat))
Northwestern University

US Patent
LigandPNGBDBM50014713(CHEMBL3262022 | US10759791, Compound 6 | US9951014...)
Affinity DataKi:  35nMAssay 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
TargetNitric oxide synthase, endothelial(Rattus norvegicus)
Northwestern University

US Patent
LigandPNGBDBM50014713(CHEMBL3262022 | US10759791, Compound 6 | US9951014...)
Affinity DataKi:  35nMAssay 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
TargetNitric oxide synthase, brain(Homo sapiens (Human))
Northwestern University

US Patent
LigandPNGBDBM50014713(CHEMBL3262022 | US10759791, Compound 6 | US9951014...)
Affinity DataKi:  53nMAssay 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 com...More data for this Ligand-Target Pair
TargetNitric oxide synthase, brain(Rattus norvegicus (rat))
Northwestern University

US Patent
LigandPNGBDBM50014713(CHEMBL3262022 | US10759791, Compound 6 | US9951014...)
Affinity DataKi:  53nMAssay 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
TargetNitric oxide synthase, brain(Rattus norvegicus (rat))
Northwestern University

US Patent
LigandPNGBDBM50014713(CHEMBL3262022 | US10759791, Compound 6 | US9951014...)
Affinity DataKi:  53nMAssay 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
TargetNitric oxide synthase, brain(Homo sapiens (Human))
Northwestern University

US Patent
LigandPNGBDBM50014713(CHEMBL3262022 | US10759791, Compound 6 | US9951014...)
Affinity DataKi:  64nMAssay 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
TargetNitric oxide synthase, brain(Homo sapiens (Human))
Northwestern University

US Patent
LigandPNGBDBM50014713(CHEMBL3262022 | US10759791, Compound 6 | US9951014...)
Affinity DataKi:  64nMAssay 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
TargetNitric oxide synthase, inducible(Mus musculus (mouse))
Northwestern University

US Patent
LigandPNGBDBM50014713(CHEMBL3262022 | US10759791, Compound 6 | US9951014...)
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 DepthDetails US Patent
TargetNitric oxide synthase, inducible(Homo sapiens (Human))
Northwestern University

US Patent
LigandPNGBDBM50014713(CHEMBL3262022 | US10759791, Compound 6 | US9951014...)
Affinity DataKi:  1.89E+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 com...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetNitric oxide synthase, inducible(Mus musculus (mouse))
Northwestern University

US Patent
LigandPNGBDBM50014713(CHEMBL3262022 | US10759791, Compound 6 | US9951014...)
Affinity DataKi:  1.89E+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 DepthDetails ArticlePubMed
TargetNitric oxide synthase, endothelial(Homo sapiens (Human))
Northwestern University

US Patent
LigandPNGBDBM50014713(CHEMBL3262022 | US10759791, Compound 6 | US9951014...)
Affinity DataKi:  4.77E+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 com...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetNitric oxide synthase, endothelial(Bos taurus (bovine))
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50014713(CHEMBL3262022 | US10759791, Compound 6 | US9951014...)
Affinity DataKi:  4.77E+3nMAssay 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 ArticlePubMed
TargetNitric oxide synthase, endothelial(Bos taurus (bovine))
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50014713(CHEMBL3262022 | US10759791, Compound 6 | US9951014...)
Affinity DataKi:  4.77E+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 DepthDetails US Patent
TargetNitric oxide synthase, inducible(Mus musculus (mouse))
Northwestern University

US Patent
LigandPNGBDBM50014713(CHEMBL3262022 | US10759791, Compound 6 | US9951014...)
Affinity DataKi:  4.85E+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 DepthDetails US Patent
TargetNitric oxide synthase, endothelial(Homo sapiens (Human))
Northwestern University

US Patent
LigandPNGBDBM50014713(CHEMBL3262022 | US10759791, Compound 6 | US9951014...)
Affinity DataKi:  6.62E+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 DepthDetails US Patent
TargetNitric oxide synthase, endothelial(Bos taurus (bovine))
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50014713(CHEMBL3262022 | US10759791, Compound 6 | US9951014...)
Affinity DataKi:  1.77E+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