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BDBM50216315 (1R,4R)-2-(6-chloro-3-pyridinyl)-2,5-diazabicyclo[2.2.1]-heptane::(1S,4S)-2-(6-chloro-3-pyridinyl)-2,5-diazabicyclo[2.2.1]-heptane::2-(6-chloropyridin-3-yl)-2,5-diazabicyclo[2.2.1]heptane::CHEMBL245243

SMILES: Clc1ccc(cn1)N1CC2CC1CN2

InChI Key: InChIKey=BQVKPWLMKZFHIT-UHFFFAOYSA-N

Data: 1 KI  2 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50216315   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50216315
PNG
((1R,4R)-2-(6-chloro-3-pyridinyl)-2,5-diazabicyclo[...)
Show SMILES Clc1ccc(cn1)N1CC2CC1CN2 |TLB:4:7:10:12.13|
Show InChI InChI=1S/C10H12ClN3/c11-10-2-1-8(4-13-10)14-6-7-3-9(14)5-12-7/h1-2,4,7,9,12H,3,5-6H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.0180n/an/an/an/an/an/an/an/a



Università di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]cytosine form alpha4beta2 nAChR in rat striatum


Bioorg Med Chem Lett 18: 6147-50 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.002
BindingDB Entry DOI: 10.7270/Q29G5MPJ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50216315
PNG
((1R,4R)-2-(6-chloro-3-pyridinyl)-2,5-diazabicyclo[...)
Show SMILES Clc1ccc(cn1)N1CC2CC1CN2 |TLB:4:7:10:12.13|
Show InChI InChI=1S/C10H12ClN3/c11-10-2-1-8(4-13-10)14-6-7-3-9(14)5-12-7/h1-2,4,7,9,12H,3,5-6H2
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 140n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at alpha-4-beta-2 in IMR-32cells assessed as calcium influx by FLIPR assay


J Med Chem 50: 3627-44 (2007)


Article DOI: 10.1021/jm070018l
BindingDB Entry DOI: 10.7270/Q2KS6SSX
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50216315
PNG
((1R,4R)-2-(6-chloro-3-pyridinyl)-2,5-diazabicyclo[...)
Show SMILES Clc1ccc(cn1)N1CC2CC1CN2 |TLB:4:7:10:12.13|
Show InChI InChI=1S/C10H12ClN3/c11-10-2-1-8(4-13-10)14-6-7-3-9(14)5-12-7/h1-2,4,7,9,12H,3,5-6H2
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 450n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at alpha-4-beta-2 in IMR-32cells assessed as calcium influx by FLIPR assay


J Med Chem 50: 3627-44 (2007)


Article DOI: 10.1021/jm070018l
BindingDB Entry DOI: 10.7270/Q2KS6SSX
More data for this
Ligand-Target Pair