BindingDB logo
myBDB logout

BDBM50137787 6-(6-Chloro-pyridin-3-yl)-8-aza-bicyclo[3.2.1]octan-3-ol::CHEMBL421553

SMILES: OC1CC2CC(C(C1)N2)c1ccc(Cl)nc1

InChI Key: InChIKey=GDXUHGVVRIPSQZ-UHFFFAOYSA-N

Data: 4 KI  1 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 5 hits for monomerid = 50137787   
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 protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50137787
PNG
(6-(6-Chloro-pyridin-3-yl)-8-aza-bicyclo[3.2.1]octa...)
Show SMILES OC1CC2CC(C(C1)N2)c1ccc(Cl)nc1
Show InChI InChI=1S/C12H15ClN2O/c13-12-2-1-7(6-14-12)10-4-8-3-9(16)5-11(10)15-8/h1-2,6,8-11,15-16H,3-5H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
7.40n/an/an/an/an/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Binding affinity against nicotinic acetylcholine receptor alpha4-beta2 using [3H]epibatidine as radioligand expressed in HEK293 cells or tsA cells


Bioorg Med Chem Lett 14: 271-3 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.081
BindingDB Entry DOI: 10.7270/Q2MC8ZD0
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-4 subunit


(HUMAN-Homo sapiens (human))
BDBM50137787
PNG
(6-(6-Chloro-pyridin-3-yl)-8-aza-bicyclo[3.2.1]octa...)
Show SMILES OC1CC2CC(C(C1)N2)c1ccc(Cl)nc1
Show InChI InChI=1S/C12H15ClN2O/c13-12-2-1-7(6-14-12)10-4-8-3-9(16)5-11(10)15-8/h1-2,6,8-11,15-16H,3-5H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
38n/an/an/an/an/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Binding affinity against nicotinic acetylcholine receptor alpha2-beta4 using [3H]epibatidine as radioligand expressed in HEK293 cells or tsA cells


Bioorg Med Chem Lett 14: 271-3 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.081
BindingDB Entry DOI: 10.7270/Q2MC8ZD0
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(HUMAN)
BDBM50137787
PNG
(6-(6-Chloro-pyridin-3-yl)-8-aza-bicyclo[3.2.1]octa...)
Show SMILES OC1CC2CC(C(C1)N2)c1ccc(Cl)nc1
Show InChI InChI=1S/C12H15ClN2O/c13-12-2-1-7(6-14-12)10-4-8-3-9(16)5-11(10)15-8/h1-2,6,8-11,15-16H,3-5H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 2.10E+3n/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Binding affinity of the compound was determined against Nicotinic acetylcholine receptor using [3H]-(-)-nicotine radioligand


Bioorg Med Chem Lett 14: 271-3 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.081
BindingDB Entry DOI: 10.7270/Q2MC8ZD0
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-2 subunit/subunit beta-4


(HUMAN)
BDBM50137787
PNG
(6-(6-Chloro-pyridin-3-yl)-8-aza-bicyclo[3.2.1]octa...)
Show SMILES OC1CC2CC(C(C1)N2)c1ccc(Cl)nc1
Show InChI InChI=1S/C12H15ClN2O/c13-12-2-1-7(6-14-12)10-4-8-3-9(16)5-11(10)15-8/h1-2,6,8-11,15-16H,3-5H2
PDB

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
31n/an/an/an/an/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
In vitro ability to displace [3H]-(-)-cytisine binding to whole rat brain membranes at Nicotinic acetylcholine receptor alpha4-beta2


Bioorg Med Chem Lett 14: 271-3 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.081
BindingDB Entry DOI: 10.7270/Q2MC8ZD0
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(HUMAN)
BDBM50137787
PNG
(6-(6-Chloro-pyridin-3-yl)-8-aza-bicyclo[3.2.1]octa...)
Show SMILES OC1CC2CC(C(C1)N2)c1ccc(Cl)nc1
Show InChI InChI=1S/C12H15ClN2O/c13-12-2-1-7(6-14-12)10-4-8-3-9(16)5-11(10)15-8/h1-2,6,8-11,15-16H,3-5H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
88n/an/an/an/an/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Binding affinity against nicotinic acetylcholine receptor alpha4-beta2 using [3H]epibatidine as radioligand expressed in HEK293 cells or tsA cells


Bioorg Med Chem Lett 14: 271-3 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.081
BindingDB Entry DOI: 10.7270/Q2MC8ZD0
More data for this
Ligand-Target Pair