BDBM130382 4methyl6{[(3R,4R)4{[5(pyridin2 yl)pentyl]oxy}pyrrolidin3yl]methyl}pyridin2amine ((3R,4R)-2)

SMILES Cc1cc(N)nc(C[C@@H]2CNC[C@@H]2OCCCCCc2ccccn2)c1

InChI Key InChIKey=CSFKTRORRCGDRY-XLIONFOSSA-N

Data  3 Kd

PDB links: 4 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 3 hits for monomerid = 130382   

TargetNitric oxide synthase, brain(Rattus norvegicus (rat))
University Of California Irvine

LigandPNGBDBM130382(4methyl6{[(3R,4R)4{[5(pyridin2 yl)pentyl]oxy}pyrro...)
Affinity DataKd:  212nMpH: 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
TargetNitric oxide synthase, endothelial(Bos taurus (bovine))
University Of California Irvine

LigandPNGBDBM130382(4methyl6{[(3R,4R)4{[5(pyridin2 yl)pentyl]oxy}pyrro...)
Affinity DataKd:  4.13E+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
TargetIsoform PNNOS of Nitric oxide synthase, brain (PNNOS) -973,I269V,M336V,D597N](Rattus norvegicus (rats))
University Of California Irvine

LigandPNGBDBM130382(4methyl6{[(3R,4R)4{[5(pyridin2 yl)pentyl]oxy}pyrro...)
Affinity DataKd:  1.93E+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