BDBM50093344 CHEMBL3586662::US9951014, Name 19a

SMILES Cc1cc(nc(c1)N)CCc2cc(cc(c2)N(C)CCNC)C(F)(F)F

InChI Key InChIKey=HEAUHZMVJKXAQR-UHFFFAOYSA-N

Data  8 KI

PDB links: 1 PDB ID matches 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 8 hits for monomerid = 50093344   

TargetNitric oxide synthase, brain(Rat)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50093344(CHEMBL3586662 | US9951014, Name 19a)
Affinity DataKi:  67nMAssay Description:Inhibition of rat recombinant nNOS expressed in Escherichia coli by oxyhemoglobin NO assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetNitric oxide synthase, brain(Rat)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50093344(CHEMBL3586662 | US9951014, Name 19a)
Affinity DataKi:  67nMAssay Description:The NOSs isoform assays involved subjecting 3-8 to an oxyhemoglobin NO capture assay using a Biotek Gen5 microplate reader. IC50 values for each comp...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/16/2020
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)
TargetNitric oxide synthase, brain(Human)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50093344(CHEMBL3586662 | US9951014, Name 19a)
Affinity DataKi:  189nMAssay Description:Inhibition of human recombinant nNOS expressed in Escherichia coli by oxyhemoglobin NO assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetNitric oxide synthase, brain(Human)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50093344(CHEMBL3586662 | US9951014, Name 19a)
Affinity DataKi:  189nMAssay Description:The NOSs isoform assays involved subjecting 3-8 to an oxyhemoglobin NO capture assay using a Biotek Gen5 microplate reader. IC50 values for each comp...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/16/2020
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)
TargetNitric oxide synthase, inducible(Mouse)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50093344(CHEMBL3586662 | US9951014, Name 19a)
Affinity DataKi:  8.13E+3nMAssay Description:Inhibition of mouse recombinant iNOS expressed in Escherichia coli by oxyhemoglobin NO assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2016
Entry Details Article
PubMed
TargetNitric oxide synthase, inducible(Human)
Northwestern University

US Patent
LigandPNGBDBM50093344(CHEMBL3586662 | US9951014, Name 19a)
Affinity DataKi:  8.13E+3nMAssay Description:The NOSs isoform assays involved subjecting 3-8 to an oxyhemoglobin NO capture assay using a Biotek Gen5 microplate reader. IC50 values for each comp...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/16/2020
Entry Details
Go to US Patent

TargetNitric oxide synthase, endothelial(Bovine)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50093344(CHEMBL3586662 | US9951014, Name 19a)
Affinity DataKi:  1.59E+4nMAssay Description:Inhibition of bovine recombinant eNOS expressed in Escherichia coli by oxyhemoglobin NO assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2016
Entry Details Article
PubMed
TargetNitric oxide synthase, endothelial(Human)
Northwestern University

US Patent
LigandPNGBDBM50093344(CHEMBL3586662 | US9951014, Name 19a)
Affinity DataKi:  1.59E+4nMAssay Description:The NOSs isoform assays involved subjecting 3-8 to an oxyhemoglobin NO capture assay using a Biotek Gen5 microplate reader. IC50 values for each comp...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/16/2020
Entry Details
Go to US Patent