BDBM50250575 CHEMBL4079135

SMILES CNCCCc1cc(F)cc(CCc2cc(C)cc(N)n2)c1

InChI Key InChIKey=PEJWJTGGAYICCM-UHFFFAOYSA-N

Data  4 KI

PDB links: 3 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50250575   

TargetNitric oxide synthase, brain(Rat)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50250575(CHEMBL4079135)
Affinity DataKi:  41nMAssay Description:Inhibition of rat neuronal NOS expressed in Escherichia coli using L-arginine as substrate assessed as reduction in NO production by measuring oxidat...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetNitric oxide synthase, brain(Human)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50250575(CHEMBL4079135)
Affinity DataKi:  65nMAssay Description:Inhibition of human neuronal NOS expressed in Escherichia coli using L-arginine as substrate assessed as reduction in NO production by measuring oxid...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetNitric oxide synthase, inducible(Mouse)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50250575(CHEMBL4079135)
Affinity DataKi:  4.65E+3nMAssay Description:Inhibition of mouse macrophage iNOS expressed in Escherichia coli using L-arginine as substrate assessed as reduction in NO production by measuring o...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetNitric oxide synthase, endothelial(Human)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50250575(CHEMBL4079135)
Affinity DataKi:  3.95E+4nMAssay Description:Inhibition of human endothelial NOS expressed in Escherichia coli using L-arginine as substrate assessed as reduction in NO production by measuring o...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)