BDBM50312520 6-(((3S,4S)/(3R,4R)-4-(2-(2-Fluoro-2-(3-fluorophenyl)propylamino)ethoxy)pyrrolidin-3-yl)methyl)-4-methylpyridin-2-amine::CHEMBL1086858

SMILES Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCNC[C@@H](c3cccc(c3)F)F

InChI Key InChIKey=NOLWAWWUERSXHH-UHFFFAOYSA-N

Data  3 KI  2 IC50

PDB links: 2 PDB IDs match this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50312520   

TargetNitric oxide synthase, brain(Rat)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50312520(6-(((3S,4S)/(3R,4R)-4-(2-(2-Fluoro-2-(3-fluorophen...)
Affinity DataIC50: 310nMAssay Description:Inhibition of rat recombinant nNOS expressed in Escherichia coli assessed as formation of nitric oxide by hemoglobin capture assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/17/2010
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetNitric oxide synthase, brain(Human)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50312520(6-(((3S,4S)/(3R,4R)-4-(2-(2-Fluoro-2-(3-fluorophen...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of nNOS in HEK293T cells assessed as nitrite formationMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/17/2010
Entry Details Article
PubMed
TargetNitric oxide synthase, brain(Rat)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50312520(6-(((3S,4S)/(3R,4R)-4-(2-(2-Fluoro-2-(3-fluorophen...)
Affinity DataKi:  36nMAssay Description:Inhibition of rat recombinant nNOS expressed in Escherichia coli assessed as formation of nitric oxide by hemoglobin capture assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/17/2010
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetNitric oxide synthase, inducible(Mouse)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50312520(6-(((3S,4S)/(3R,4R)-4-(2-(2-Fluoro-2-(3-fluorophen...)
Affinity DataKi:  1.30E+4nMAssay Description:Inhibition of mouse recombinant iNOS expressed in Escherichia coli assessed as formation of nitric oxide by hemoglobin capture assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/17/2010
Entry Details Article
PubMed
TargetNitric oxide synthase, endothelial(Bovine)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50312520(6-(((3S,4S)/(3R,4R)-4-(2-(2-Fluoro-2-(3-fluorophen...)
Affinity DataKi:  3.60E+4nMAssay Description:Inhibition of bovine recombinant eNOS expressed in Escherichia coli assessed as formation of nitric oxide by hemoglobin capture assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/17/2010
Entry Details Article
PubMedPDB3D3D Structure (crystal)