BDBM50366042 CHEMBL1956739::US8927730, 3b

SMILES COc1ccccc1CNCCO[C@@H]1CNC[C@@H]1Cc1cc(C)cc(N)n1

InChI Key InChIKey=CNZPKQOAIMARQF-FXAWDEMLSA-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
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 8 hits for monomerid = 50366042   

TargetNitric oxide synthase, brain(Rattus norvegicus (rat))
Northwestern University

US Patent
LigandPNGBDBM50366042(CHEMBL1956739 | US8927730, 3b)
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
TargetNitric oxide synthase, brain(Rattus norvegicus (rat))
Northwestern University

US Patent
LigandPNGBDBM50366042(CHEMBL1956739 | US8927730, 3b)
Affinity DataKi:  820nMAssay Description:Inhibition of recombinant rat nNOS expressed in Escherichia coli by hemoglobin capture assayMore data for this Ligand-Target Pair
TargetNitric oxide synthase, endothelial(Bos taurus (bovine))
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50366042(CHEMBL1956739 | US8927730, 3b)
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 DepthDetails ArticlePubMed
TargetNitric oxide synthase, endothelial(Bos taurus (bovine))
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50366042(CHEMBL1956739 | US8927730, 3b)
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 DepthDetails US Patent
TargetNitric oxide synthase, inducible(Mus musculus (mouse))
Northwestern University

US Patent
LigandPNGBDBM50366042(CHEMBL1956739 | US8927730, 3b)
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 DepthDetails US Patent
TargetNitric oxide synthase, inducible(Mus musculus (mouse))
Northwestern University

US Patent
LigandPNGBDBM50366042(CHEMBL1956739 | US8927730, 3b)
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 DepthDetails ArticlePubMed
TargetNitric oxide synthase, brain(Rattus norvegicus (rat))
Northwestern University

US Patent
LigandPNGBDBM50366042(CHEMBL1956739 | US8927730, 3b)
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
TargetNitric oxide synthase, brain(Rattus norvegicus (rat))
Northwestern University

US Patent
LigandPNGBDBM50366042(CHEMBL1956739 | US8927730, 3b)
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