BDBM50366042 CHEMBL1956739::US8927730, 3b

SMILES Cc1cc(nc(c1)N)C[C@H]2CNC[C@H]2OCCNCc3ccccc3OC

InChI Key InChIKey=CNZPKQOAIMARQF-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 = 50366042   

TargetNitric oxide synthase, brain(Rat)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50366042(US8927730, 3b | CHEMBL1956739)
Affinity DataIC50: 7.10E+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
LigandPNGBDBM50366042(US8927730, 3b | CHEMBL1956739)
Affinity DataIC50: 2.20E+4nMAssay 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
LigandPNGBDBM50366042(US8927730, 3b | CHEMBL1956739)
Affinity DataKi:  820nM ΔG°:  -8.63kcal/mole IC50: 7.10E+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
LigandPNGBDBM50366042(US8927730, 3b | CHEMBL1956739)
Affinity DataKi:  820nMAssay 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, endothelial(Bovine)
Northwestern University

US Patent
LigandPNGBDBM50366042(US8927730, 3b | CHEMBL1956739)
Affinity DataKi:  7.70E+4nM ΔG°:  -5.83kcal/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
LigandPNGBDBM50366042(US8927730, 3b | CHEMBL1956739)
Affinity DataKi:  7.70E+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
TargetNitric oxide synthase, inducible(Mouse)
Northwestern University

US Patent
LigandPNGBDBM50366042(US8927730, 3b | CHEMBL1956739)
Affinity DataKi:  1.14E+5nM ΔG°:  -5.59kcal/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
LigandPNGBDBM50366042(US8927730, 3b | CHEMBL1956739)
Affinity DataKi:  1.14E+5nMAssay 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