BDBM50088438 1-(pyridin-3-yl)-1,4-diazepane::1-Pyridin-3-yl-[1,4]diazepane::CHEMBL71085::NS3531, 1

SMILES c1cc(cnc1)N2CCCNCC2

InChI Key InChIKey=JBOVXXZNZSULJJ-UHFFFAOYSA-N

Data  9 KI  2 IC50  1 EC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50088438   

TargetNeuronal acetylcholine receptor subunit alpha-7(Rat)
University of Hawaii At Hilo

Curated by ChEMBL
LigandPNGBDBM50088438(CHEMBL71085 | 1-Pyridin-3-yl-[1,4]diazepane | NS35...)
Affinity DataIC50: 190nMAssay Description:Displacement of [3H]-alpha-bungarotoxin from alpha7 nicotine acetylcholine receptor in Wistar rat cerebral cortex after 2 hrs by liquid scintillation...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/18/2016
Entry Details Article
PubMed
TargetNeuronal acetylcholine receptor subunit alpha-4(Human)
University of Turin

Curated by ChEMBL
LigandPNGBDBM50088438(CHEMBL71085 | 1-Pyridin-3-yl-[1,4]diazepane | NS35...)
Affinity DataIC50: 1.91nMAssay Description:Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in HEK293 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/21/2013
Entry Details Article
PubMed
TargetNeuronal acetylcholine receptor subunit alpha-4(Human)
University of Turin

Curated by ChEMBL
LigandPNGBDBM50088438(CHEMBL71085 | 1-Pyridin-3-yl-[1,4]diazepane | NS35...)
Affinity DataEC50:  229nMAssay 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 Depth
Date in BDB:
5/21/2013
Entry Details Article
PubMed
TargetNeuronal acetylcholine receptor subunit alpha-4(Rat)
University of Copenhagen

LigandPNGBDBM50088438(CHEMBL71085 | 1-Pyridin-3-yl-[1,4]diazepane | NS35...)
Affinity DataKi:  0.720nMAssay 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 Depth
Date in BDB:
8/27/2012
Entry Details Article
PubMed
TargetNeuronal acetylcholine receptor subunit alpha-2/beta-2(Rat)
University of Illinois At Chicago

Curated by ChEMBL
LigandPNGBDBM50088438(CHEMBL71085 | 1-Pyridin-3-yl-[1,4]diazepane | NS35...)
Affinity DataKi:  1.10nMAssay Description:Displacement of [3H]epibatidine from rat alpha2beta2 nAChR by liquid scintillation countingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/8/2018
Entry Details Article
PubMed
TargetAcetylcholine-binding protein(Great pond snail)
University of Copenhagen

LigandPNGBDBM50088438(CHEMBL71085 | 1-Pyridin-3-yl-[1,4]diazepane | NS35...)
Affinity DataKi:  3.10nMAssay 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 Depth
Date in BDB:
8/27/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Rat)
University of Illinois At Chicago

Curated by ChEMBL
LigandPNGBDBM50088438(CHEMBL71085 | 1-Pyridin-3-yl-[1,4]diazepane | NS35...)
Affinity DataKi:  3.40nMAssay Description:Displacement of [3H]epibatidine from rat alpha4beta2 nAChR by liquid scintillation countingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/8/2018
Entry Details Article
PubMed
TargetNeuronal acetylcholine receptor subunit alpha-3/beta-2(Rat)
University of Illinois At Chicago

Curated by ChEMBL
LigandPNGBDBM50088438(CHEMBL71085 | 1-Pyridin-3-yl-[1,4]diazepane | NS35...)
Affinity DataKi:  5.10nMAssay Description:Displacement of [3H]epibatidine from rat alpha3beta2 nAChR by liquid scintillation countingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/8/2018
Entry Details Article
PubMed
TargetNeuronal acetylcholine receptor subunit alpha-2/beta-4(Rat)
University of Illinois At Chicago

Curated by ChEMBL
LigandPNGBDBM50088438(CHEMBL71085 | 1-Pyridin-3-yl-[1,4]diazepane | NS35...)
Affinity DataKi:  62nMAssay Description:Displacement of [3H]epibatidine from rat alpha2beta4 nAChR by liquid scintillation countingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/8/2018
Entry Details Article
PubMed
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-4(Rat)
University of Illinois At Chicago

Curated by ChEMBL
LigandPNGBDBM50088438(CHEMBL71085 | 1-Pyridin-3-yl-[1,4]diazepane | NS35...)
Affinity DataKi:  72nMAssay Description:Displacement of [3H]epibatidine from rat alpha4beta4 nAChR by liquid scintillation countingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/8/2018
Entry Details Article
PubMed
TargetNeuronal acetylcholine receptor subunit alpha-7(Rat)
University of Hawaii At Hilo

Curated by ChEMBL
LigandPNGBDBM50088438(CHEMBL71085 | 1-Pyridin-3-yl-[1,4]diazepane | NS35...)
Affinity DataKi:  136nMAssay 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 Depth
Date in BDB:
8/27/2012
Entry Details Article
PubMed
TargetNeuronal acetylcholine receptor subunit alpha-3/beta-4(Rat)
University of Illinois At Chicago

Curated by ChEMBL
LigandPNGBDBM50088438(CHEMBL71085 | 1-Pyridin-3-yl-[1,4]diazepane | NS35...)
Affinity DataKi:  366nMAssay Description:Displacement of [3H]epibatidine from rat alpha3beta4 nAChR by liquid scintillation countingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/8/2018
Entry Details Article
PubMed