BDBM344418 US9783500, Compound 13

SMILES CN(C)Cc1cccc(c1)NCc2ccc3ccc(nc3c2)N

InChI Key InChIKey=KLVQNBMBSWDRJZ-UHFFFAOYSA-N

Data  8 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 8 hits for monomerid = 344418   

TargetNitric oxide synthase, brain(Rat)
Northwestern University

US Patent
LigandPNGBDBM344418(US9783500, Compound 13)
Affinity DataKi:  37nMAssay 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
LigandPNGBDBM344418(US9783500, Compound 13)
Affinity DataKi:  78nMAssay 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
LigandPNGBDBM344418(US9783500, Compound 13)
Affinity DataKi:  375nMAssay 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
LigandPNGBDBM344418(US9783500, Compound 13)
Affinity DataKi:  657nMAssay 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, endothelial(Bovine)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM344418(US9783500, Compound 13)
Affinity DataKi:  1.15E+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, brain(Mouse)
Northwestern University

US Patent
LigandPNGBDBM344418(US9783500, Compound 13)
Affinity DataKi:  1.30E+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
LigandPNGBDBM344418(US9783500, Compound 13)
Affinity DataKi:  2.10E+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
LigandPNGBDBM344418(US9783500, Compound 13)
Affinity DataKi:  3.32E+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