BDBM50438641 CHEMBL2414435::US9732037, Compound 4

SMILES Cc1cc(N)nc(COc2cccc(CNCCc3cccc(F)c3)c2)c1

InChI Key InChIKey=DDZKIKXHCIUETL-UHFFFAOYSA-N

Data  6 KI  1 Kd

PDB links: 2 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 = 50438641   

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

Curated by ChEMBL
LigandPNGBDBM50438641(CHEMBL2414435 | US9732037, Compound 4)
Affinity DataKi:  40nMAssay Description:Inhibition of recombinant rat nNOS expressed in Escherichia coli using L-arginine as substrate assessed as formation of nitric oxide measured up to 6...More data for this Ligand-Target Pair
TargetNitric oxide synthase, brain(Homo sapiens (Human))
Northwestern University

US Patent
LigandPNGBDBM50438641(CHEMBL2414435 | US9732037, Compound 4)
Affinity DataKi:  40nMAssay 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
LigandPNGBDBM50438641(CHEMBL2414435 | US9732037, Compound 4)
Affinity DataKi:  5.89E+3nMAssay Description:Inhibition of recombinant mouse macrophage iNOS expressed in Escherichia coli using L-arginine as substrate assessed as formation of nitric oxide mea...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNitric oxide synthase, inducible(Homo sapiens (Human))
Northwestern University

US Patent
LigandPNGBDBM50438641(CHEMBL2414435 | US9732037, Compound 4)
Affinity DataKi:  9.91E+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
LigandPNGBDBM50438641(CHEMBL2414435 | US9732037, Compound 4)
Affinity DataKi:  1.04E+4nMAssay Description:Inhibition of recombinant bovine eNOS expressed in Escherichia coli using L-arginine as substrate assessed as formation of nitric oxide measured up t...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNitric oxide synthase, endothelial(Homo sapiens (Human))
Northwestern University

US Patent
LigandPNGBDBM50438641(CHEMBL2414435 | US9732037, Compound 4)
Affinity DataKi:  1.44E+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 oxygenase(Bacillus subtilis (Firmicutes))
University Of California Irvine

LigandPNGBDBM50438641(CHEMBL2414435 | US9732037, Compound 4)
Affinity DataKd:  6.10E+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