BDBM50328814 (+/-)-6-((4-(2-(3-fluorophenethylamino)ethoxy)pyrrolidin-3-yl)methyl)-4-methylpyridin-2-amine::6-(((3R,4R)-4-(2-(3-fluorophenethylamino)ethoxy)pyrrolidin-3-yl)methyl)-4-methylpyridin-2-amine::6-{[(3R,4R)-4-(2-{[2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine::6-{{(3''R,4''R)-3''-[2''''-(3''''''-Fluorophenethylamino)ethoxy]pyrrolidin-4''-yl}methyl}-4-methylpyridin-2-amine Trihydrochloride::CHEMBL1278132::CHEMBL607146::US9212144, 2

SMILES Cc1cc(N)nc(C[C@@H]2CNC[C@@H]2OCCNCCc2cccc(F)c2)c1

InChI Key InChIKey=NESZTSPBRDBHCW-XLIONFOSSA-N

Data  18 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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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50328814   

TargetNitric oxide synthase, brain(Rattus norvegicus (rat))
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50328814((+/-)-6-((4-(2-(3-fluorophenethylamino)ethoxy)pyrr...)
Affinity DataKi:  7nMAssay Description:Inhibition of rat nNOS expressed in Escherichia coli assessed as inhibition of nitric oxide formation by hemoglobin capture assayMore data for this Ligand-Target Pair
TargetNitric oxide synthase, brain(Homo sapiens (Human))
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50328814((+/-)-6-((4-(2-(3-fluorophenethylamino)ethoxy)pyrr...)
Affinity DataKi:  50nMAssay Description:Inhibition of human nNOS expressed in Escherichia coli assessed as inhibition of nitric oxide formation by hemoglobin capture assayMore data for this Ligand-Target Pair
TargetNitric oxide synthase, inducible(Mus musculus (mouse))
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50328814((+/-)-6-((4-(2-(3-fluorophenethylamino)ethoxy)pyrr...)
Affinity DataKi:  5.80E+3nMAssay Description:Inhibition of mouse iNOS expressed in Escherichia coli assessed as inhibition of nitric oxide formation by hemoglobin capture assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNitric oxide synthase, endothelial(Bos taurus (bovine))
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50328814((+/-)-6-((4-(2-(3-fluorophenethylamino)ethoxy)pyrr...)
Affinity DataKi:  1.90E+4nMAssay Description:Inhibition of bovine eNOS expressed in Escherichia coli assessed as inhibition of nitric oxide formation by hemoglobin capture assayMore data for this Ligand-Target Pair