BDBM50366044 CHEMBL1956741::US8927730, 3d

SMILES Cc1cc(nc(c1)N)C[C@H]2CNC[C@H]2OCCNCc3ccco3

InChI Key InChIKey=JGPWHIBNRITPFL-UHFFFAOYSA-N

Data  6 KI  3 IC50

PDB links: 1 PDB ID matches 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 8 hits for monomerid = 50366044   

TargetNitric oxide synthase, brain(Rat)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50366044(US8927730, 3d | CHEMBL1956741)
Affinity DataIC50: 3.40E+3nMAssay Description:Inhibition of recombinant rat nNOS expressed in Escherichia coli by hemoglobin capture assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/23/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetNitric oxide synthase, brain(Rat)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50366044(US8927730, 3d | CHEMBL1956741)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of rat nNOS expressed in HEK293T cells preincubated for 30 mins prior A23187-induced activation measured after 6 hrs by Griess assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/23/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetNitric oxide synthase, brain(Rat)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50366044(US8927730, 3d | CHEMBL1956741)
Affinity DataKi:  400nM ΔG°:  -9.07kcal/mole IC50: 3.40E+3nMpH: 7.4 T: 2°CAssay Description:The three NOS isoforms, rat nNOS, murine iNOS and bovine eNOS were recombinant enzymes overexpressed in E. coli and purified as reported in the liter...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/1/2015
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)
TargetNitric oxide synthase, brain(Rat)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50366044(US8927730, 3d | CHEMBL1956741)
Affinity DataKi:  400nMAssay Description:Inhibition of recombinant rat nNOS expressed in Escherichia coli by hemoglobin capture assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/23/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetNitric oxide synthase, inducible(Mouse)
Northwestern University

US Patent
LigandPNGBDBM50366044(US8927730, 3d | CHEMBL1956741)
Affinity DataKi:  3.60E+4nM ΔG°:  -6.30kcal/molepH: 7.4 T: 2°CAssay Description:The three NOS isoforms, rat nNOS, murine iNOS and bovine eNOS were recombinant enzymes overexpressed in E. coli and purified as reported in the liter...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/1/2015
Entry Details
Go to US Patent

TargetNitric oxide synthase, inducible(Mouse)
Northwestern University

US Patent
LigandPNGBDBM50366044(US8927730, 3d | CHEMBL1956741)
Affinity DataKi:  3.60E+4nMAssay Description:Inhibition of recombinant mouse iNOS expressed in Escherichia coli by hemoglobin capture assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/23/2012
Entry Details Article
PubMed
TargetNitric oxide synthase, endothelial(Bovine)
Northwestern University

US Patent
LigandPNGBDBM50366044(US8927730, 3d | CHEMBL1956741)
Affinity DataKi:  6.60E+4nM ΔG°:  -5.93kcal/molepH: 7.4 T: 2°CAssay Description:The three NOS isoforms, rat nNOS, murine iNOS and bovine eNOS were recombinant enzymes overexpressed in E. coli and purified as reported in the liter...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/1/2015
Entry Details
Go to US Patent

TargetNitric oxide synthase, endothelial(Bovine)
Northwestern University

US Patent
LigandPNGBDBM50366044(US8927730, 3d | CHEMBL1956741)
Affinity DataKi:  6.60E+4nMAssay Description:Inhibition of recombinant bovine eNOS expressed in Escherichia coli by hemoglobin capture assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/23/2012
Entry Details Article
PubMed