null

SMILES CNCCN(C)c1cncc(CCc2cc(C)cc(N)n2)c1

InChI Key InChIKey=BAILAIZRWKFZJT-UHFFFAOYSA-N

PDB links: 5 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 152712   

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

US Patent
LigandPNGBDBM152712(4-methyl-6-[2-(5-{methyl[2-(methylamino)ethyl]amin...)copy SMILEScopy InChI
Affinity DataKi:  17nMAssay Description:Enzyme inhibition was evaluated by measuring NO production with the hemoglobin capture assay, which was performed with purified NOSs in 96-well plate...More data for this Ligand-Target Pair
TargetNitric oxide synthase, endothelial(Rattus norvegicus)
Northwestern University

US Patent
LigandPNGBDBM152712(4-methyl-6-[2-(5-{methyl[2-(methylamino)ethyl]amin...)copy SMILEScopy InChI
Affinity DataKi:  17nMAssay Description:Enzyme inhibition was evaluated by measuring NO production with the hemoglobin capture assay, which was performed with purified NOSs in 96-well plate...More data for this Ligand-Target Pair
TargetNitric oxide synthase, brain(Homo sapiens (Human))
Northwestern University

US Patent
LigandPNGBDBM152712(4-methyl-6-[2-(5-{methyl[2-(methylamino)ethyl]amin...)copy SMILEScopy InChI
Affinity DataKi:  59nMAssay Description:Enzyme inhibition was evaluated by measuring NO production with the hemoglobin capture assay, which was performed with purified NOSs in 96-well plate...More data for this Ligand-Target Pair
TargetNitric oxide synthase, brain(Homo sapiens (Human))
Northwestern University

US Patent
LigandPNGBDBM152712(4-methyl-6-[2-(5-{methyl[2-(methylamino)ethyl]amin...)copy SMILEScopy InChI
Affinity DataKi:  59nMAssay Description:Enzyme inhibition was evaluated by measuring NO production with the hemoglobin capture assay, which was performed with purified NOSs in 96-well plate...More data for this Ligand-Target Pair
TargetNitric oxide synthase, inducible(Mus musculus (mouse))
Northwestern University

US Patent
LigandPNGBDBM152712(4-methyl-6-[2-(5-{methyl[2-(methylamino)ethyl]amin...)copy SMILEScopy InChI
Affinity DataKi:  2.15E+3nMAssay Description:Enzyme inhibition was evaluated by measuring NO production with the hemoglobin capture assay, which was performed with purified NOSs in 96-well plate...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2ZW1PZGUS Patent
TargetNitric oxide synthase, endothelial(Homo sapiens (Human))
Northwestern University

US Patent
LigandPNGBDBM152712(4-methyl-6-[2-(5-{methyl[2-(methylamino)ethyl]amin...)copy SMILEScopy InChI
Affinity DataKi:  5.01E+3nMAssay Description:Enzyme inhibition was evaluated by measuring NO production with the hemoglobin capture assay, which was performed with purified NOSs in 96-well plate...More data for this Ligand-Target Pair
TargetNitric oxide synthase, endothelial(Bos taurus (bovine))
Northwestern University

US Patent
LigandPNGBDBM152712(4-methyl-6-[2-(5-{methyl[2-(methylamino)ethyl]amin...)copy SMILEScopy InChI
Affinity DataKi:  1.29E+4nMAssay Description:Enzyme inhibition was evaluated by measuring NO production with the hemoglobin capture assay, which was performed with purified NOSs in 96-well plate...More data for this Ligand-Target Pair