BDBM152711 4-methyl-6-[2-(3-{methyl[2-(methylamino)ethyl]amino}phenyl)ethyl]pyridin-2-amine (13)::US9951014, Name 10a

SMILES Cc1cc(nc(c1)N)CCc2cccc(c2)N(C)CCNC

InChI Key InChIKey=MIKRWQRFDGLBCF-UHFFFAOYSA-N

Data  8 KI  1 Kd

PDB links: 3 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 152711   

TargetNitric oxide synthase oxygenase(Bacillus subtilis (strain 168))
University of California Irvine

LigandPNGBDBM152711(4-methyl-6-[2-(3-{methyl[2-(methylamino)ethyl]amin...)
Affinity DataKd:  5.05E+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
In Depth
Date in BDB:
9/17/2015
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetNitric oxide synthase, brain(Human)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM152711(4-methyl-6-[2-(3-{methyl[2-(methylamino)ethyl]amin...)
Affinity DataKi:  98nMAssay 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
LigandPNGBDBM152711(4-methyl-6-[2-(3-{methyl[2-(methylamino)ethyl]amin...)
Affinity DataKi:  98nMAssay 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(Rat)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM152711(4-methyl-6-[2-(3-{methyl[2-(methylamino)ethyl]amin...)
Affinity DataKi:  130nMAssay 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
LigandPNGBDBM152711(4-methyl-6-[2-(3-{methyl[2-(methylamino)ethyl]amin...)
Affinity DataKi:  130nMAssay 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
LigandPNGBDBM152711(4-methyl-6-[2-(3-{methyl[2-(methylamino)ethyl]amin...)
Affinity DataKi:  5.34E+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
LigandPNGBDBM152711(4-methyl-6-[2-(3-{methyl[2-(methylamino)ethyl]amin...)
Affinity DataKi:  5.34E+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
LigandPNGBDBM152711(4-methyl-6-[2-(3-{methyl[2-(methylamino)ethyl]amin...)
Affinity DataKi:  2.02E+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
PubMedPDB3D3D Structure (crystal)
TargetNitric oxide synthase, endothelial(Human)
Northwestern University

US Patent
LigandPNGBDBM152711(4-methyl-6-[2-(3-{methyl[2-(methylamino)ethyl]amin...)
Affinity DataKi:  2.02E+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
PDB3D3D Structure (crystal)