BDBM344413 US9783500, Compound 8

SMILES CNCCc1cccc(OCc2ccc3ccc(N)nc3c2)c1

InChI Key InChIKey=IHPWSPZSFKTYCX-UHFFFAOYSA-N

Data  7 KI

PDB links: 4 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 7 hits for monomerid = 344413   

TargetNitric oxide synthase, brain(Rat)
Northwestern University

US Patent
LigandPNGBDBM344413(US9783500, Compound 8)
Affinity DataKi:  35nMAssay 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
Ligand InfoPC cidPC sidPDB
In DepthDetails US Patent
PDB3D3D Structure (crystal)

TargetNitric oxide synthase, brain(Human)
Northwestern University

US Patent
LigandPNGBDBM344413(US9783500, Compound 8)
Affinity DataKi:  36nMAssay 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
Ligand InfoPC cidPC sidPDB
In DepthDetails US Patent
PDB3D3D Structure (crystal)

TargetNitric oxide synthase, brain(Rat)
Northwestern University

US Patent
LigandPNGBDBM344413(US9783500, Compound 8)
Affinity DataKi:  332nMAssay 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
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetNitric oxide synthase, inducible(Human)
Northwestern University

US Patent
LigandPNGBDBM344413(US9783500, Compound 8)
Affinity DataKi:  1.22E+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
Ligand InfoPC cidPC sidPDB
In DepthDetails US Patent


TargetNitric oxide synthase, brain(Mouse)
Northwestern University

US Patent
LigandPNGBDBM344413(US9783500, Compound 8)
Affinity DataKi:  1.25E+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
Ligand InfoPC cidPC sidPDB
In DepthDetails US Patent
PDB3D3D Structure (crystal)

TargetNitric oxide synthase, endothelial(Bovine)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM344413(US9783500, Compound 8)
Affinity DataKi:  1.51E+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
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetNitric oxide synthase, inducible(Mouse)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM344413(US9783500, Compound 8)
Affinity DataKi:  4.36E+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
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed