BDBM50266622 CHEMBL4105240

SMILES CN[C@@H](C)Cc1cc(OCc2ccc3c(C)cc(N)nc3c2)cc(c1)C#N

InChI Key InChIKey=PUGNZMCPLRURSU-HNNXBMFYSA-N

Data  4 KI

PDB links: 5 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 = 50266622   

TargetNitric oxide synthase, brain(Homo sapiens (Human))
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50266622(CHEMBL4105240)
Affinity DataKi:  46nMAssay Description:Inhibition of recombinant human full-length nNOS expressed in Escherichia coli BL21(DE3) assessed as reduction in nitric oxide production using L-arg...More data for this Ligand-Target Pair
TargetNitric oxide synthase, brain(Rattus norvegicus (rat))
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50266622(CHEMBL4105240)
Affinity DataKi:  50nMAssay Description:Inhibition of recombinant rat nNOS expressed in Escherichia coli assessed as reduction in nitric oxide production using L-arginine as substrate measu...More data for this Ligand-Target Pair
TargetNitric oxide synthase, endothelial(Homo sapiens (Human))
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50266622(CHEMBL4105240)
Affinity DataKi:  2.21E+4nMAssay Description:Inhibition of recombinant human full-length eNOS expressed in Escherichia coli BL21(DE3) assessed as reduction in nitric oxide production using L-arg...More data for this Ligand-Target Pair
TargetNitric oxide synthase, inducible(Mus musculus (mouse))
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50266622(CHEMBL4105240)
Affinity DataKi:  2.56E+4nMAssay Description:Inhibition of recombinant mouse macrophage iNOS expressed in Escherichia coli assessed as reduction in nitric oxide production using L-arginine as su...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed