BDBM50441008 CHEMBL2430150::US9732037, Compound 20

SMILES C[C@H](OCc1cc(C)cc(N)n1)[C@@H](N)COCc1cc(C)cc(N)n1

InChI Key InChIKey=BGQWILAWEWZMTG-BBRMVZONSA-N

Data  6 KI

PDB links: 3 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 6 hits for monomerid = 50441008   

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

Curated by ChEMBL
LigandPNGBDBM50441008(CHEMBL2430150 | US9732037, Compound 20)
Affinity DataKi:  37nMAssay Description:Inhibition of rat recombinant nNOS expressed in Escherichia coli using L-arginine as substrate up to 180 seconds by hemoglobin capture assayMore data for this Ligand-Target Pair
TargetNitric oxide synthase, brain(Homo sapiens (Human))
Northwestern University

US Patent
LigandPNGBDBM50441008(CHEMBL2430150 | US9732037, Compound 20)
Affinity DataKi:  37nMAssay Description:NOS inhibition assays of representative compounds 1-21 were undertaken, and the results are summarized in Table 1, below. All NOS isoforms were expre...More data for this Ligand-Target Pair
TargetNitric oxide synthase, inducible(Mus musculus (mouse))
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50441008(CHEMBL2430150 | US9732037, Compound 20)
Affinity DataKi:  2.26E+3nMAssay Description:Inhibition of mouse recombinant iNOS expressed in Escherichia coli using L-arginine as substrate up to 180 seconds by hemoglobin capture assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNitric oxide synthase, inducible(Homo sapiens (Human))
Northwestern University

US Patent
LigandPNGBDBM50441008(CHEMBL2430150 | US9732037, Compound 20)
Affinity DataKi:  2.26E+3nMAssay Description:NOS inhibition assays of representative compounds 1-21 were undertaken, and the results are summarized in Table 1, below. All NOS isoforms were expre...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetNitric oxide synthase, endothelial(Bos taurus (bovine))
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50441008(CHEMBL2430150 | US9732037, Compound 20)
Affinity DataKi:  2.54E+3nMAssay Description:Inhibition of bovine recombinant eNOS expressed in Escherichia coli using L-arginine as substrate up to 180 seconds by hemoglobin capture assayMore data for this Ligand-Target Pair
TargetNitric oxide synthase, endothelial(Homo sapiens (Human))
Northwestern University

US Patent
LigandPNGBDBM50441008(CHEMBL2430150 | US9732037, Compound 20)
Affinity DataKi:  3.04E+3nMAssay Description:NOS inhibition assays of representative compounds 1-21 were undertaken, and the results are summarized in Table 1, below. All NOS isoforms were expre...More data for this Ligand-Target Pair