BDBM50441015 CHEMBL2430148::US9732037, Compound 18

SMILES Cc1cc(N)nc(COCC[C@@H](CN)OCc2cc(C)cc(N)n2)c1

InChI Key InChIKey=ZLWWYKPNQBCOKF-INIZCTEOSA-N

Data  6 KI  1 Kd

PDB links: 3 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50441015   

TargetNitric oxide synthase, brain(Homo sapiens (Human))
Northwestern University

US Patent
LigandPNGBDBM50441015(CHEMBL2430148 | US9732037, Compound 18)
Affinity DataKi:  232nMAssay 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, brain(Rattus norvegicus (rat))
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50441015(CHEMBL2430148 | US9732037, Compound 18)
Affinity DataKi:  232nMAssay 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, inducible(Mus musculus (mouse))
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50441015(CHEMBL2430148 | US9732037, Compound 18)
Affinity DataKi:  1.07E+4nMAssay 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
LigandPNGBDBM50441015(CHEMBL2430148 | US9732037, Compound 18)
Affinity DataKi:  1.07E+4nMAssay 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
LigandPNGBDBM50441015(CHEMBL2430148 | US9732037, Compound 18)
Affinity DataKi:  2.02E+4nMAssay 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
LigandPNGBDBM50441015(CHEMBL2430148 | US9732037, Compound 18)
Affinity DataKi:  2.02E+4nMAssay 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 oxygenase(Bacillus subtilis (Firmicutes))
University Of California Irvine

LigandPNGBDBM50441015(CHEMBL2430148 | US9732037, Compound 18)
Affinity DataKd:  3.79E+4nMAssay Description:In short, the difference between the imidazole-bound low-spin peak at 430 nm and the inhibitorbound high-spin peak at 395 nm was measured as a functi...More data for this Ligand-Target Pair