BDBM50446252 CHEMBL3109186::US9732037, Compound 6

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: 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 = 50446252   

TargetNitric oxide synthase, brain(Rat)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50446252(CHEMBL3109186 | US9732037, Compound 6)
Affinity DataKi:  26nMAssay 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
LigandPNGBDBM50446252(CHEMBL3109186 | US9732037, Compound 6)
Affinity DataKi:  26nMAssay 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)
TargetNitric oxide synthase, endothelial(Bovine)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50446252(CHEMBL3109186 | US9732037, Compound 6)
Affinity DataKi:  2.18E+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
LigandPNGBDBM50446252(CHEMBL3109186 | US9732037, Compound 6)
Affinity DataKi:  2.18E+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)
TargetNitric oxide synthase, inducible(Mouse)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50446252(CHEMBL3109186 | US9732037, Compound 6)
Affinity DataKi:  2.27E+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
LigandPNGBDBM50446252(CHEMBL3109186 | US9732037, Compound 6)
Affinity DataKi:  2.27E+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