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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit' and Ligand = 'BDBM50194071'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM50194071
PNG
(3-(6-chloropyridin-3-yl)-6-aza-bicyclo[2.2.1]hepta...)
Show SMILES Clc1ccc(cn1)C1CC2CC1CN2 |TLB:4:7:13.12:10|
Show InChI InChI=1S/C11H13ClN2/c12-11-2-1-7(5-14-11)10-4-9-3-8(10)6-13-9/h1-2,5,8-10,13H,3-4,6H2
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.182n/an/an/an/an/an/an/an/a



University of Leicester

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from human recombinant alpha4beta2 nAChR in HEK293 cells by SPA assay


Bioorg Med Chem Lett 16: 5493-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.049
BindingDB Entry DOI: 10.7270/Q2D79C7V
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50194071
PNG
(3-(6-chloropyridin-3-yl)-6-aza-bicyclo[2.2.1]hepta...)
Show SMILES Clc1ccc(cn1)C1CC2CC1CN2 |TLB:4:7:13.12:10|
Show InChI InChI=1S/C11H13ClN2/c12-11-2-1-7(5-14-11)10-4-9-3-8(10)6-13-9/h1-2,5,8-10,13H,3-4,6H2
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.23n/an/an/an/an/an/an/an/a



University of Leicester

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from human recombinant alpha4beta2 nAChR in HEK293 cells by SPA assay


Bioorg Med Chem Lett 16: 5493-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.049
BindingDB Entry DOI: 10.7270/Q2D79C7V
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50194071
PNG
(3-(6-chloropyridin-3-yl)-6-aza-bicyclo[2.2.1]hepta...)
Show SMILES Clc1ccc(cn1)C1CC2CC1CN2 |TLB:4:7:13.12:10|
Show InChI InChI=1S/C11H13ClN2/c12-11-2-1-7(5-14-11)10-4-9-3-8(10)6-13-9/h1-2,5,8-10,13H,3-4,6H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
30n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-cytisine binding to Nicotinic acetylcholine receptor alpha4-beta2 of rat cortical membranes


Bioorg Med Chem Lett 14: 5713-5713 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.026
BindingDB Entry DOI: 10.7270/Q2BZ6621
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50194071
PNG
(3-(6-chloropyridin-3-yl)-6-aza-bicyclo[2.2.1]hepta...)
Show SMILES Clc1ccc(cn1)C1CC2CC1CN2 |TLB:4:7:13.12:10|
Show InChI InChI=1S/C11H13ClN2/c12-11-2-1-7(5-14-11)10-4-9-3-8(10)6-13-9/h1-2,5,8-10,13H,3-4,6H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
>38n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Nicotine binding to Nicotinic acetylcholine receptor alpha4-beta2 of rat cortical membranes


Bioorg Med Chem Lett 14: 5713-5713 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.026
BindingDB Entry DOI: 10.7270/Q2BZ6621
More data for this
Ligand-Target Pair