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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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 152712   

TargetNitric oxide synthase, brain(Rattus norvegicus (rat))
Astex

LigandPNGBDBM152712(4-methyl-6-[2-(5-{methyl[2-(methylamino)ethyl]amin...)copy SMILEScopy InChI
Affinity DataKi:  17nMAssay Description:The NOSs isoform assays involved subjecting 3-8 to an oxyhemoglobin NO capture assay using a Biotek Gen5™ microplate reader. IC50 values for each com...More data for this Ligand-Target Pair
TargetNitric oxide synthase, brain(Homo sapiens (Human))
Astex

LigandPNGBDBM152712(4-methyl-6-[2-(5-{methyl[2-(methylamino)ethyl]amin...)copy SMILEScopy InChI
Affinity DataKi:  59nMAssay Description:The NOSs isoform assays involved subjecting 3-8 to an oxyhemoglobin NO capture assay using a Biotek Gen5™ microplate reader. IC50 values for each com...More data for this Ligand-Target Pair
TargetNitric oxide synthase, inducible(Homo sapiens (Human))
Astex

LigandPNGBDBM152712(4-methyl-6-[2-(5-{methyl[2-(methylamino)ethyl]amin...)copy SMILEScopy InChI
Affinity DataKi:  2.15E+3nMAssay Description:The NOSs isoform assays involved subjecting 3-8 to an oxyhemoglobin NO capture assay using a Biotek Gen5™ microplate reader. IC50 values for each com...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q21N83G1US Patent
TargetNitric oxide synthase, endothelial(Homo sapiens (Human))
Astex

LigandPNGBDBM152712(4-methyl-6-[2-(5-{methyl[2-(methylamino)ethyl]amin...)copy SMILEScopy InChI
Affinity DataKi:  1.29E+4nMAssay Description:The NOSs isoform assays involved subjecting 3-8 to an oxyhemoglobin NO capture assay using a Biotek Gen5™ microplate reader. IC50 values for each com...More data for this Ligand-Target Pair