BDBM50446250 CHEMBL3109188::US9732037, Compound 9

SMILES Cc1cc(nc(c1)N)COC[C@H]2C[C@@H](CN2)OCc3cc(cc(n3)N)C

InChI Key InChIKey=NUKSCYDKRQJOFO-UHFFFAOYSA-N

Data  6 KI

PDB links: 6 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 = 50446250   

TargetNitric oxide synthase, brain(Rat)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50446250(CHEMBL3109188 | US9732037, Compound 9)
Affinity DataKi:  9.70nMAssay Description:Inhibition of rat recombinant nNOS overexpressed in Escherichia coli using L-arginine as substrate assessed as formation of NO-hemoglobin complex mea...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/25/2014
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetNitric oxide synthase, brain(Human)
Northwestern University

US Patent
LigandPNGBDBM50446250(CHEMBL3109188 | US9732037, Compound 9)
Affinity DataKi:  10nMAssay 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 Depth
Date in BDB:
6/23/2019
Entry Details
Go to US Patent

TargetNitric oxide synthase, inducible(Mouse)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50446250(CHEMBL3109188 | US9732037, Compound 9)
Affinity DataKi:  2.87E+3nMAssay Description:Inhibition of mouse recombinant iNOS overexpressed in Escherichia coli using L-arginine as substrate assessed as formation of NO-hemoglobin complex m...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/25/2014
Entry Details Article
PubMed
TargetNitric oxide synthase, inducible(Human)
Northwestern University

US Patent
LigandPNGBDBM50446250(CHEMBL3109188 | US9732037, Compound 9)
Affinity DataKi:  2.95E+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 Depth
Date in BDB:
6/23/2019
Entry Details
Go to US Patent

TargetNitric oxide synthase, endothelial(Bovine)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50446250(CHEMBL3109188 | US9732037, Compound 9)
Affinity DataKi:  6.73E+3nMAssay Description:Inhibition of bovine recombinant eNOS overexpressed in Escherichia coli using L-arginine as substrate assessed as formation of NO-hemoglobin complex ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/25/2014
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetNitric oxide synthase, endothelial(Human)
Northwestern University

US Patent
LigandPNGBDBM50446250(CHEMBL3109188 | US9732037, Compound 9)
Affinity DataKi:  6.93E+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 Depth
Date in BDB:
6/23/2019
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)