BDBM21972 3-[(4S,6R)-4,8-diamino-6-hydroxyoctyl]-1-nitroguanidine::Hydroxyethylene derivative, 11

SMILES NCC[C@@H](O)C[C@@H](N)CCCN=C(N)N[N+]([O-])=O

InChI Key InChIKey=MRKNVCRAAKPKPN-UHFFFAOYSA-N

Data  1 KI  3 IC50

  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 3 hits for monomerid = 21972   

TargetNitric oxide synthase, brain(Rat)
Northwestern University

LigandPNGBDBM21972(3-[(4S,6R)-4,8-diamino-6-hydroxyoctyl]-1-nitroguan...)
Affinity DataKi:  1.10E+3nM ΔG°:  -8.26kcal/mole IC50: 9.40E+3nMpH: 7.4 T: 2°CAssay Description:Nitric oxide formation from NOS was monitored by the hemoglobin capture assay. The assay was initiated by addition of enzyme and was monitored at 401...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/30/2008
Entry Details Article
PubMed
TargetNitric oxide synthase, inducible(Mouse)
Northwestern University

LigandPNGBDBM21972(3-[(4S,6R)-4,8-diamino-6-hydroxyoctyl]-1-nitroguan...)
Affinity DataIC50: 1.67E+5nMpH: 7.4 T: 2°CAssay Description:Nitric oxide formation from NOS was monitored by the hemoglobin capture assay. The assay was initiated by addition of enzyme and was monitored at 401...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/30/2008
Entry Details Article
PubMed
TargetNitric oxide synthase, endothelial(Bovine)
Northwestern University

LigandPNGBDBM21972(3-[(4S,6R)-4,8-diamino-6-hydroxyoctyl]-1-nitroguan...)
Affinity DataIC50: 1.34E+6nMpH: 7.4 T: 2°CAssay Description:Nitric oxide formation from NOS was monitored by the hemoglobin capture assay. The assay was initiated by addition of enzyme and was monitored at 401...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/30/2008
Entry Details Article
PubMed