null

SMILES CNCC#Cc1cc(F)c(F)c(CCc2cc(C)cc(N)n2)c1

InChI Key InChIKey=VPIZCATWBQGZCY-UHFFFAOYSA-N

PDB links: 2 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 = 50526364   

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

Curated by ChEMBL
LigandPNGBDBM50526364(CHEMBL4454695)copy SMILEScopy InChI
Affinity DataKi:  27nMAssay Description:Inhibition of rat neuronal NOS expressed in Escherichia coli using L-arginine as substrate in presence of human oxyhemoglobin after 6 mins by hemoglo...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetNitric oxide synthase, brain(Homo sapiens (Human))
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50526364(CHEMBL4454695)copy SMILEScopy InChI
Affinity DataKi:  43nMAssay Description:Inhibition of human neuronal NOS expressed in Escherichia coli using L-arginine as substrate in presence of human oxyhemoglobin after 6 mins by hemog...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetNitric oxide synthase, inducible(Mus musculus (mouse))
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50526364(CHEMBL4454695)copy SMILEScopy InChI
Affinity DataKi:  3.03E+3nMAssay Description:Inhibition of mouse iNOS expressed in Escherichia coli using L-arginine as substrate in presence of human oxyhemoglobin after 6 mins by hemoglobin NO...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2H998NMPubMed
TargetNitric oxide synthase, inducible(Homo sapiens (Human))
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50526364(CHEMBL4454695)copy SMILEScopy InChI
Affinity DataKi:  3.06E+3nMAssay Description:Inhibition of human iNOS expressed in Escherichia coli using L-arginine as substrate in presence of human oxyhemoglobin after 6 mins by hemoglobin NO...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2H998NMPubMed
TargetNitric oxide synthase, endothelial(Homo sapiens (Human))
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50526364(CHEMBL4454695)copy SMILEScopy InChI
Affinity DataKi:  1.70E+4nMAssay Description:Inhibition of human endothelial NOS expressed in Escherichia coli using L-arginine as substrate in presence of human oxyhemoglobin after 6 mins by he...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2H998NMPubMed