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SMILES Cc1cc(CCNCc2ccc3ccc(N)nc3c2)ccc1C#N

InChI Key InChIKey=OFELXUWNGBXCPK-UHFFFAOYSA-N

PDB links: 4 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 5 hits for monomerid = 50258602   

TargetNitric oxide synthase, brain(Homo sapiens (Human))
Department of Chemistry, Department of Molecular Biosciences, Chemistry of Life Processes Institute, Center for Molecular Innovation and Drug Discovery, Northwestern University , Evanston, Illinois 6

Curated by ChEMBL
LigandPNGBDBM50258602(CHEMBL4068062)copy SMILEScopy InChI
Affinity DataKi:  20nMAssay Description:Inhibition of recombinant human nNOS expressed in Escherichia coli using L-arginine as substrate after 30 secs by hemoglobin capture assayMore data for this Ligand-Target Pair
TargetNitric oxide synthase, brain(Rattus norvegicus (rat))
Department of Chemistry, Department of Molecular Biosciences, Chemistry of Life Processes Institute, Center for Molecular Innovation and Drug Discovery, Northwestern University , Evanston, Illinois 6

Curated by ChEMBL
LigandPNGBDBM50258602(CHEMBL4068062)copy SMILEScopy InChI
Affinity DataKi:  21nMAssay Description:Inhibition of recombinant rat nNOS expressed in Escherichia coli using L-arginine as substrate after 30 secs by hemoglobin capture assayMore data for this Ligand-Target Pair
TargetNitric oxide synthase, endothelial(Bos taurus (bovine))
Department of Chemistry, Department of Molecular Biosciences, Chemistry of Life Processes Institute, Center for Molecular Innovation and Drug Discovery, Northwestern University , Evanston, Illinois 6

Curated by ChEMBL
LigandPNGBDBM50258602(CHEMBL4068062)copy SMILEScopy InChI
Affinity DataKi:  92nMAssay Description:Inhibition of recombinant bovine eNOS expressed in Escherichia coli using L-arginine as substrate after 30 secs by hemoglobin capture assayMore data for this Ligand-Target Pair
TargetNitric oxide synthase, endothelial(Homo sapiens (Human))
Department of Chemistry, Department of Molecular Biosciences, Chemistry of Life Processes Institute, Center for Molecular Innovation and Drug Discovery, Northwestern University , Evanston, Illinois 6

Curated by ChEMBL
LigandPNGBDBM50258602(CHEMBL4068062)copy SMILEScopy InChI
Affinity DataKi:  2.08E+3nMAssay Description:Inhibition of recombinant human eNOS expressed in Escherichia coli using L-arginine as substrate after 30 secs by hemoglobin capture assayMore data for this Ligand-Target Pair
TargetNitric oxide synthase, inducible(Mus musculus (mouse))
Department of Chemistry, Department of Molecular Biosciences, Chemistry of Life Processes Institute, Center for Molecular Innovation and Drug Discovery, Northwestern University , Evanston, Illinois 6

Curated by ChEMBL
LigandPNGBDBM50258602(CHEMBL4068062)copy SMILEScopy InChI
Affinity DataKi:  1.03E+4nMAssay Description:Inhibition of recombinant mouse macrophage iNOS expressed in Escherichia coli using L-arginine as substrate after 30 secs by hemoglobin capture assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2639S64PubMed