BDBM50258651 CHEMBL4078323

SMILES CN(C)c1ccc(CNCc2ccc3ccc(N)nc3c2)cc1

InChI Key InChIKey=JEOSSXMVBYPUED-UHFFFAOYSA-N

Data  4 KI

PDB links: 2 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 4 hits for monomerid = 50258651   

TargetNitric oxide synthase, brain(Rat)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50258651(CHEMBL4078323)
Affinity DataKi:  522nMAssay 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 DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetNitric oxide synthase, brain(Human)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50258651(CHEMBL4078323)
Affinity DataKi:  764nMAssay 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 DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetNitric oxide synthase, endothelial(Bovine)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50258651(CHEMBL4078323)
Affinity DataKi:  8.42E+3nMAssay 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 DepthDetails Article
PubMed
TargetNitric oxide synthase, inducible(Mouse)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50258651(CHEMBL4078323)
Affinity DataKi:  4.22E+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 DepthDetails Article
PubMed