BDBM344407 US9783500, Compound 3

SMILES CN(C)CCc1cccc(c1)OCc2ccc3ccc(nc3c2)N

InChI Key InChIKey=TTZAIJYOUAIUID-UHFFFAOYSA-N

Data  12 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:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 344407   

TargetNitric oxide synthase, brain(Rat)
Northwestern University

US Patent
LigandPNGBDBM344407(US9783500, Compound 3)
Affinity DataKi:  142nMAssay 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
LigandPNGBDBM344407(US9783500, Compound 3)
Affinity DataKi:  216nMAssay 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
LigandPNGBDBM344407(US9783500, Compound 3)
Affinity DataKi:  216nMAssay 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
LigandPNGBDBM344407(US9783500, Compound 3)
Affinity DataKi:  468nMAssay 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)
TargetNitric oxide synthase, brain(Human)
Northwestern University

US Patent
LigandPNGBDBM344407(US9783500, Compound 3)
Affinity DataKi:  911nMAssay 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
LigandPNGBDBM344407(US9783500, Compound 3)
Affinity DataKi:  911nMAssay 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
LigandPNGBDBM344407(US9783500, Compound 3)
Affinity DataKi:  1.86E+3nMAssay 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, inducible(Human)
Northwestern University

US Patent
LigandPNGBDBM344407(US9783500, Compound 3)
Affinity DataKi:  1.73E+4nMAssay 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(Bovine)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM344407(US9783500, Compound 3)
Affinity DataKi:  1.77E+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
PubMed
TargetNitric oxide synthase, brain(Mouse)
Northwestern University

US Patent
LigandPNGBDBM344407(US9783500, Compound 3)
Affinity DataKi:  3.32E+4nMAssay 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
LigandPNGBDBM344407(US9783500, Compound 3)
Affinity DataKi:  8.42E+4nMAssay 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, inducible(Mouse)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM344407(US9783500, Compound 3)
Affinity DataKi:  1.50E+5nMAssay 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