BDBM50441011 CHEMBL2430144::US9732037, Compound 15

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

InChI Key InChIKey=FVCUZJIKIIWHJD-UHFFFAOYSA-N

Data  6 KI

PDB links: 2 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 = 50441011   

TargetNitric oxide synthase, brain(Rat)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50441011(CHEMBL2430144 | US9732037, Compound 15)
Affinity DataKi:  32nMAssay 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
In Depth
Date in BDB:
4/13/2014
Entry Details Article
PubMed
TargetNitric oxide synthase, brain(Human)
Northwestern University

US Patent
LigandPNGBDBM50441011(CHEMBL2430144 | US9732037, Compound 15)
Affinity DataKi:  32nMAssay 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(Human)
Northwestern University

US Patent
LigandPNGBDBM50441011(CHEMBL2430144 | US9732037, Compound 15)
Affinity DataKi:  7.81E+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, inducible(Mouse)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50441011(CHEMBL2430144 | US9732037, Compound 15)
Affinity DataKi:  7.82E+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 Depth
Date in BDB:
4/13/2014
Entry Details Article
PubMed
TargetNitric oxide synthase, endothelial(Human)
Northwestern University

US Patent
LigandPNGBDBM50441011(CHEMBL2430144 | US9732037, Compound 15)
Affinity DataKi:  1.52E+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 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
LigandPNGBDBM50441011(CHEMBL2430144 | US9732037, Compound 15)
Affinity DataKi:  1.52E+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
In Depth
Date in BDB:
4/13/2014
Entry Details Article
PubMedPDB3D3D Structure (crystal)