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
Find this compound or compounds like it in BindingDB:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 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 recombinant nNOS expressed in Escherichia coli using L-arginine as substrate assessed as NO production by hemoglobin capture assayMore data for this Ligand-Target Pair
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 using L-arginine as substrate assessed as formation of nitric oxide by hemoglobin capture assayMore data for this Ligand-Target Pair
TargetNitric oxide synthase, brain(Rattus norvegicus (rat))
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50328814((+/-)-6-((4-(2-(3-fluorophenethylamino)ethoxy)pyrr...)
Affinity DataKi:  7nMpH: 7.4Assay Description:To test for enzyme inhibition, the hemoglobin capture assay was used to measure nitric oxide production. The assay was performed at 37° C. in HEPES b...More data for this Ligand-Target Pair
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, inducible(Mus musculus (mouse))
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50328814((+/-)-6-((4-(2-(3-fluorophenethylamino)ethoxy)pyrr...)
Affinity DataKi:  7nMAssay Description:Inhibition of mouse recombinant iNOSMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
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 recombinant rat nNOS expressed in Escherichia coli using L-arginine as substrate assessed as formation of nitric oxide measured up to 6...More 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, 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 using L-arginine as substrate assessed as formation of nitric oxide by hemoglobin capture assa...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNitric oxide synthase, inducible(Mus musculus (mouse))
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50328814((+/-)-6-((4-(2-(3-fluorophenethylamino)ethoxy)pyrr...)
Affinity DataKi:  5.80E+3nMpH: 7.4Assay Description:To test for enzyme inhibition, the hemoglobin capture assay was used to measure nitric oxide production. The assay was performed at 37° C. in HEPES b...More data for this Ligand-Target Pair
In DepthDetails US Patent
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 recombinant iNOS expressed in Escherichia coli using L-arginine as substrate assessed as NO production by hemoglobin capture assa...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNitric oxide synthase, inducible(Mus musculus (mouse))
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50328814((+/-)-6-((4-(2-(3-fluorophenethylamino)ethoxy)pyrr...)
Affinity DataKi:  7.20E+3nMAssay Description:Inhibition of mouse recombinant iNOSMore 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
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 using L-arginine as substrate assessed as formation of nitric oxide by hemoglobin capture ass...More data for this Ligand-Target Pair
TargetNitric oxide synthase, endothelial(Bos taurus (bovine))
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50328814((+/-)-6-((4-(2-(3-fluorophenethylamino)ethoxy)pyrr...)
Affinity DataKi:  1.92E+4nMAssay Description:Inhibition of bovine recombinant eNOS expressed in Escherichia coli using L-arginine as substrate assessed as NO production by hemoglobin capture ass...More data for this Ligand-Target Pair
TargetNitric oxide synthase, endothelial(Bos taurus (bovine))
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50328814((+/-)-6-((4-(2-(3-fluorophenethylamino)ethoxy)pyrr...)
Affinity DataKi:  1.92E+4nMpH: 7.4Assay Description:To test for enzyme inhibition, the hemoglobin capture assay was used to measure nitric oxide production. The assay was performed at 37° C. in HEPES b...More data for this Ligand-Target Pair
TargetNitric oxide synthase, brain(Rattus norvegicus (rat))
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50328814((+/-)-6-((4-(2-(3-fluorophenethylamino)ethoxy)pyrr...)
Affinity DataKi:  5.80E+6nMAssay Description:Inhibition of rat recombinant nNOSMore data for this Ligand-Target Pair
TargetNitric oxide synthase, endothelial(Bos taurus (bovine))
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50328814((+/-)-6-((4-(2-(3-fluorophenethylamino)ethoxy)pyrr...)
Affinity DataKi:  1.92E+7nMAssay Description:Inhibition of bovine recombinant eNOSMore data for this Ligand-Target Pair