BDBM130383 4methyl6{[(3R,4R)4{[5(4methylpyridin2 yl)pentyl]oxy}pyrrolidin3yl]methyl}pyridin2amine ((3R,4R)-3)

SMILES Cc1ccnc(c1)CCCCCO[C@H]2CNC[C@H]2Cc3cc(cc(n3)N)C

InChI Key InChIKey=ZWYPXJQSZOXLSP-UHFFFAOYSA-N

Data  4 Kd

PDB links: 5 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 130383   

TargetNitric oxide synthase, brain(Rat)
University of California Irvine

LigandPNGBDBM130383(4methyl6{[(3R,4R)4{[5(4methylpyridin2 yl)pentyl]ox...)
Affinity DataKd:  198nMpH: 7.5 T: 2°CAssay Description:The buffer contained 50 mM HEPES (pH 7.5), 10% glycerol, and 100 mM NaCl, containing 1 mM imidazole. The spectral shift was monitored for a few minut...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/2/2015
Entry Details Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM130383(4methyl6{[(3R,4R)4{[5(4methylpyridin2 yl)pentyl]ox...)
Affinity DataKd:  393nMpH: 7.5 T: 2°CAssay Description:The buffer contained 50 mM HEPES (pH 7.5), 10% glycerol, and 100 mM NaCl, containing 1 mM imidazole. The spectral shift was monitored for a few minut...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/2/2015
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetNitric oxide synthase, endothelial(Bovine)
University of California Irvine

LigandPNGBDBM130383(4methyl6{[(3R,4R)4{[5(4methylpyridin2 yl)pentyl]ox...)
Affinity DataKd:  5.58E+4nMpH: 7.5 T: 2°CAssay Description:The buffer contained 50 mM HEPES (pH 7.5), 10% glycerol, and 100 mM NaCl, containing 1 mM imidazole. The spectral shift was monitored for a few minut...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/2/2015
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetNitric oxide synthase, endothelial [1-973,L111A](Bovine)
University of California Irvine

LigandPNGBDBM130383(4methyl6{[(3R,4R)4{[5(4methylpyridin2 yl)pentyl]ox...)
Affinity DataKd:  7.27E+3nMpH: 7.5 T: 2°CAssay Description:The buffer contained 50 mM HEPES (pH 7.5), 10% glycerol, and 100 mM NaCl, containing 1 mM imidazole. The spectral shift was monitored for a few minut...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/2/2015
Entry Details Article
PubMedPDB3D3D Structure (crystal)