BDBM50330875 CHEMBL1233717::CHEMBL1278037::N-{(3S,4R)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine::trans rac-N1-(4-((6-amino-4-methylpyridin-2-yl)methyl)pyrrolidin-3-yl)-N2-(3-fluorophenethyl)ethane-1,2-diamine

SMILES Cc1cc(N)nc(C[C@@H]2CNC[C@H]2NCCNCCc2cccc(F)c2)c1

InChI Key InChIKey=PUOKPLCASUFBAN-UHFFFAOYSA-N

Data  6 KI

PDB links: 2 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50330875   

TargetNitric oxide synthase, inducible(Mouse)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50330875(trans rac-N1-(4-((6-amino-4-methylpyridin-2-yl)met...)
Affinity DataKi:  48nMAssay Description:Inhibition of mouse recombinant iNOSMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetNitric oxide synthase, brain(Rat)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50330875(trans rac-N1-(4-((6-amino-4-methylpyridin-2-yl)met...)
Affinity DataKi:  2.66E+4nMAssay Description:Inhibition of rat recombinant nNOSMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetNitric oxide synthase, endothelial(Bovine)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50330875(trans rac-N1-(4-((6-amino-4-methylpyridin-2-yl)met...)
Affinity DataKi:  4.91E+4nMAssay Description:Inhibition of bovine recombinant eNOSMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetNitric oxide synthase, inducible(Mouse)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50330875(trans rac-N1-(4-((6-amino-4-methylpyridin-2-yl)met...)
Affinity DataKi:  1.71E+5nMAssay Description:Inhibition of mouse recombinant iNOSMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetNitric oxide synthase, endothelial(Bovine)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50330875(trans rac-N1-(4-((6-amino-4-methylpyridin-2-yl)met...)
Affinity DataKi:  3.45E+7nMAssay Description:Inhibition of bovine recombinant eNOSMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetNitric oxide synthase, brain(Rat)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50330875(trans rac-N1-(4-((6-amino-4-methylpyridin-2-yl)met...)
Affinity DataKi:  2.66E+7nMAssay Description:Inhibition of rat recombinant nNOSMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)