BDBM50258687 CHEMBL4092027

SMILES Cc1cc(ccc1C#N)CCNCc2ccc3c(cc(nc3c2)N)C

InChI Key InChIKey=GMHLRRHIOCDMQV-UHFFFAOYSA-N

Data  9 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 9 hits for monomerid = 50258687   

TargetNitric oxide synthase, brain(Rat)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50258687(CHEMBL4092027)
Affinity DataKi:  25nMAssay 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

Curated by ChEMBL
LigandPNGBDBM50258687(CHEMBL4092027)
Affinity DataKi:  25nMAssay 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(Human)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50258687(CHEMBL4092027)
Affinity DataKi:  30nMAssay 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

Curated by ChEMBL
LigandPNGBDBM50258687(CHEMBL4092027)
Affinity DataKi:  30nMAssay 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, endothelial(Bovine)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50258687(CHEMBL4092027)
Affinity DataKi:  468nMAssay 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
LigandPNGBDBM50258687(CHEMBL4092027)
Affinity DataKi:  4.83E+3nMAssay 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
LigandPNGBDBM50258687(CHEMBL4092027)
Affinity DataKi:  4.83E+3nMAssay 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, endothelial(Human)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50258687(CHEMBL4092027)
Affinity DataKi:  5.76E+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
LigandPNGBDBM50258687(CHEMBL4092027)
Affinity DataKi:  5.76E+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)