BDBM344422 US9783500, Compound 17

SMILES CNCc1cc(ccc1Cl)OCc2ccc3ccc(nc3c2)N

InChI Key InChIKey=SVDORCPNIHFYFA-UHFFFAOYSA-N

Data  24 KI

PDB links: 6 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 24 hits for monomerid = 344422   

TargetNitric oxide synthase, brain(Rat)
Northwestern University

US Patent
LigandPNGBDBM344422(US9783500, Compound 17)
Affinity DataKi:  32nMAssay Description:Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2019
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)
TargetNitric oxide synthase, brain(Human)
Northwestern University

US Patent
LigandPNGBDBM344422(US9783500, Compound 17)
Affinity DataKi:  54nMAssay Description:Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2019
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)
TargetNitric oxide synthase, brain(Rat)
Northwestern University

US Patent
LigandPNGBDBM344422(US9783500, Compound 17)
Affinity DataKi:  58nMAssay Description:Inhibition of rat nNOS expressed in Escherichia coli expression system assessed as reduction in NO production in presence of L-arginine measured for ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetNitric oxide synthase, brain(Rat)
Northwestern University

US Patent
LigandPNGBDBM344422(US9783500, Compound 17)
Affinity DataKi:  58nMAssay Description:Inhibition of recombinant rat nNOS expressed in Escherichia coli assessed as reduction in nitric oxide production using L-arginine as substrate measu...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/17/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetNitric oxide synthase, brain(Rat)
Northwestern University

US Patent
LigandPNGBDBM344422(US9783500, Compound 17)
Affinity DataKi:  58nMAssay Description:Inhibition of recombinant rat nNOS expressed in Escherichia coli using L-arginine as substrate after 30 secs by hemoglobin capture assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/27/2019
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetNitric oxide synthase, brain(Rat)
Northwestern University

US Patent
LigandPNGBDBM344422(US9783500, Compound 17)
Affinity DataKi:  58nMAssay Description:Inhibition of wild type recombinant rat nNOS expressed in Escherichia coli assessed as nitric oxide production by hemoglobin capture assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/4/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetAlpha-2C adrenergic receptor(Human)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM344422(US9783500, Compound 17)
Affinity DataKi: <100nMAssay Description:Binding affinity to alpha2C adrenergic receptor (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/4/2020
Entry Details Article
PubMed
TargetSodium-dependent serotonin transporter(Human)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM344422(US9783500, Compound 17)
Affinity DataKi: <100nMAssay Description:Binding affinity to SERT (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/4/2020
Entry Details Article
PubMed
TargetHistamine H2 receptor(Human)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM344422(US9783500, Compound 17)
Affinity DataKi: <100nMAssay Description:Binding affinity to histamine H2 receptor (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/4/2020
Entry Details Article
PubMed
TargetNitric oxide synthase, brain(Human)
Northwestern University

US Patent
LigandPNGBDBM344422(US9783500, Compound 17)
Affinity DataKi:  295nMAssay Description:Inhibition of recombinant human full-length nNOS expressed in Escherichia coli BL21(DE3) assessed as reduction in nitric oxide production using L-arg...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/17/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetNitric oxide synthase, brain(Human)
Northwestern University

US Patent
LigandPNGBDBM344422(US9783500, Compound 17)
Affinity DataKi:  295nMAssay Description:Inhibition of human nNOS expressed in Escherichia coli expression system assessed as reduction in NO production in presence of L-arginine measured fo...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetNitric oxide synthase, brain(Human)
Northwestern University

US Patent
LigandPNGBDBM344422(US9783500, Compound 17)
Affinity DataKi:  295nMAssay Description:Inhibition of recombinant human nNOS expressed in Escherichia coli using L-arginine as substrate after 30 secs by hemoglobin capture assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/27/2019
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetNitric oxide synthase, brain(Human)
Northwestern University

US Patent
LigandPNGBDBM344422(US9783500, Compound 17)
Affinity DataKi:  295nMAssay Description:Inhibition of recombinant human nNOS expressed in Escherichia coli assessed as nitric oxide production by hemoglobin capture assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/4/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetNitric oxide synthase, brain(Mouse)
Northwestern University

US Patent
LigandPNGBDBM344422(US9783500, Compound 17)
Affinity DataKi:  3.34E+3nMAssay Description:Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2019
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)
TargetNitric oxide synthase, inducible(Human)
Northwestern University

US Patent
LigandPNGBDBM344422(US9783500, Compound 17)
Affinity DataKi:  6.08E+3nMAssay Description:Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2019
Entry Details
Go to US Patent

TargetNitric oxide synthase, endothelial(Human)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM344422(US9783500, Compound 17)
Affinity DataKi:  7.41E+3nMAssay Description:Inhibition of human eNOS expressed in Escherichia coli expression system assessed as reduction in NO production in presence of L-arginine measured fo...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetNitric oxide synthase, endothelial(Human)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM344422(US9783500, Compound 17)
Affinity DataKi:  7.41E+3nMAssay Description:Inhibition of recombinant human eNOS expressed in Escherichia coli using L-arginine as substrate after 30 secs by hemoglobin capture assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/27/2019
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetNitric oxide synthase, endothelial(Human)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM344422(US9783500, Compound 17)
Affinity DataKi:  7.41E+3nMAssay Description:Inhibition of recombinant human full-length eNOS expressed in Escherichia coli BL21(DE3) assessed as reduction in nitric oxide production using L-arg...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/17/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetNitric oxide synthase, endothelial(Bovine)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM344422(US9783500, Compound 17)
Affinity DataKi:  1.25E+4nMAssay Description:Inhibition of recombinant bovine eNOS expressed in Escherichia coli assessed as nitric oxide production by hemoglobin capture assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/4/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetNitric oxide synthase, endothelial(Bovine)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM344422(US9783500, Compound 17)
Affinity DataKi:  1.25E+4nMAssay Description:Inhibition of recombinant bovine eNOS expressed in Escherichia coli using L-arginine as substrate after 30 secs by hemoglobin capture assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/27/2019
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetNitric oxide synthase, inducible(Mouse)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM344422(US9783500, Compound 17)
Affinity DataKi:  2.77E+4nMAssay Description:Inhibition of recombinant mouse macrophage iNOS expressed in Escherichia coli using L-arginine as substrate after 30 secs by hemoglobin capture assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/27/2019
Entry Details Article
PubMed
TargetNitric oxide synthase, inducible(Mouse)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM344422(US9783500, Compound 17)
Affinity DataKi:  2.77E+4nMAssay Description:Inhibition of recombinant murine iNOS expressed in Escherichia coli assessed as nitric oxide production by hemoglobin capture assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/4/2020
Entry Details Article
PubMed
TargetNitric oxide synthase, inducible(Mouse)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM344422(US9783500, Compound 17)
Affinity DataKi:  2.77E+4nMAssay Description:Inhibition of mouse iNOS expressed in Escherichia coli expression system assessed as reduction in NO production in presence of L-arginine measured fo...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2021
Entry Details Article
PubMed
TargetNitric oxide synthase, inducible(Mouse)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM344422(US9783500, Compound 17)
Affinity DataKi:  2.77E+4nMAssay Description:Inhibition of recombinant mouse macrophage iNOS expressed in Escherichia coli assessed as reduction in nitric oxide production using L-arginine as su...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/17/2020
Entry Details Article
PubMed