BDBM50088454 1-(6-Bromo-pyridin-3-yl)-[1,4]diazepane::1-(6-bromopyridin-3-yl)-1,4-diazepane::CHEMBL306387::NS3920, 4

SMILES Brc1ccc(cn1)N1CCCNCC1

InChI Key InChIKey=JRNYLCIPPWHNEJ-UHFFFAOYSA-N

Data  3 KI  2 IC50  1 EC50

PDB links: 2 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50088454   

TargetNeuronal acetylcholine receptor subunit alpha-4(Human)
University of Turin

Curated by ChEMBL
LigandPNGBDBM50088454(NS3920, 4 | CHEMBL306387 | 1-(6-bromopyridin-3-yl)...)
Affinity DataIC50: 1nMAssay Description:Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetNeuronal acetylcholine receptor subunit alpha-4(Human)
University of Turin

Curated by ChEMBL
LigandPNGBDBM50088454(NS3920, 4 | CHEMBL306387 | 1-(6-bromopyridin-3-yl)...)
Affinity DataEC50:  64.6nMAssay Description:Agonist activity at human alpha4beta2 nAChR expressed in HEK293 cells assessed as intracellular calcium level by FLIPR assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM50088454(NS3920, 4 | CHEMBL306387 | 1-(6-bromopyridin-3-yl)...)
Affinity DataIC50: 1nMAssay Description:In vitro binding affinity for Nicotinic acetylcholine receptor alpha4-beta2 (alpha4 beta-2 subtype of nAChRs) in rat cerebral cortical membrane using...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetNeuronal acetylcholine receptor subunit alpha-4(Rat)
University of Copenhagen

LigandPNGBDBM50088454(NS3920, 4 | CHEMBL306387 | 1-(6-bromopyridin-3-yl)...)
Affinity DataKi:  0.320nMAssay Description:Binding affinities for alpha 4 beta 2 nAChR were determined in tissue suspension of rat cortical membranes using 1 nM [3H]cytisine. Binding affiniti...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAcetylcholine-binding protein(Great pond snail)
University of Copenhagen

LigandPNGBDBM50088454(NS3920, 4 | CHEMBL306387 | 1-(6-bromopyridin-3-yl)...)
Affinity DataKi:  1.30nMAssay Description:Binding affinities for alpha 4 beta 2 nAChR were determined in tissue suspension of rat cortical membranes using 1 nM [3H]cytisine. Binding affiniti...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetNeuronal acetylcholine receptor subunit alpha-7(Rat)
University of Copenhagen

LigandPNGBDBM50088454(NS3920, 4 | CHEMBL306387 | 1-(6-bromopyridin-3-yl)...)
Affinity DataKi:  190nMAssay Description:Binding affinities for alpha 4 beta 2 nAChR were determined in tissue suspension of rat cortical membranes using 1 nM [3H]cytisine. Binding affiniti...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed