BDBM50330897 6-(((3R,4S)-4-(2-(4-fluorobenzylamino)ethoxy)pyrrolidin-3-yl)methyl)pyridin-2-amine trihydrochloride::CHEMBL1233765::CHEMBL1278133

SMILES Cc1cc(nc(c1)N)C[C@H]2CNC[C@@H]2OCCNCCc3cccc(c3)F

InChI Key InChIKey=NESZTSPBRDBHCW-UHFFFAOYSA-N

Data  4 KI

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50330897   

TargetNitric oxide synthase, inducible(Mouse)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50330897(CHEMBL1278133 | CHEMBL1233765 | 6-(((3R,4S)-4-(2-(...)
Affinity DataKi:  63nMAssay Description:Inhibition of mouse recombinant iNOSMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/14/2011
Entry Details Article
PubMed
TargetNitric oxide synthase, inducible(Mouse)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50330897(CHEMBL1278133 | CHEMBL1233765 | 6-(((3R,4S)-4-(2-(...)
Affinity DataKi:  6.30E+4nMAssay Description:Inhibition of mouse recombinant iNOSMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/14/2011
Entry Details Article
PubMed
TargetNitric oxide synthase, endothelial(Bovine)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50330897(CHEMBL1278133 | CHEMBL1233765 | 6-(((3R,4S)-4-(2-(...)
Affinity DataKi:  3.62E+7nMAssay Description:Inhibition of bovine recombinant eNOSMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/14/2011
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetNitric oxide synthase, brain(Rat)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50330897(CHEMBL1278133 | CHEMBL1233765 | 6-(((3R,4S)-4-(2-(...)
Affinity DataKi:  1.87E+7nMAssay Description:Inhibition of rat recombinant nNOSMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/14/2011
Entry Details Article
PubMed