BindingDB logo
myBDB logout

PubMed code 22410083

Compile data set for download or QSAR
Found 17 hits of Enzyme Inhibition Constant Data   
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


(Rattus norvegicus (Rat))
BDBM50380097
PNG
(CHEMBL2012935)
Show SMILES O=C(CN1CCOCC1)Nc1ccc(cc1)-c1cccnc1
Show InChI InChI=1S/C17H19N3O2/c21-17(13-20-8-10-22-11-9-20)19-16-5-3-14(4-6-16)15-2-1-7-18-12-15/h1-7,12H,8-11,13H2,(H,19,21)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3.90E+3n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha7 nAChR expressed in HEK292 cells after 4 hrs by liquid scintillation counting


Bioorg Med Chem Lett 22: 2380-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.052
BindingDB Entry DOI: 10.7270/Q23779QR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50380098
PNG
(CHEMBL2010825)
Show SMILES O=C(CCN1CCOCC1)Nc1ccc(cc1)-c1cccnc1
Show InChI InChI=1S/C18H21N3O2/c22-18(7-9-21-10-12-23-13-11-21)20-17-5-3-15(4-6-17)16-2-1-8-19-14-16/h1-6,8,14H,7,9-13H2,(H,20,22)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha7 nAChR expressed in HEK292 cells after 4 hrs by liquid scintillation counting


Bioorg Med Chem Lett 22: 2380-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.052
BindingDB Entry DOI: 10.7270/Q23779QR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50380097
PNG
(CHEMBL2012935)
Show SMILES O=C(CN1CCOCC1)Nc1ccc(cc1)-c1cccnc1
Show InChI InChI=1S/C17H19N3O2/c21-17(13-20-8-10-22-11-9-20)19-16-5-3-14(4-6-16)15-2-1-7-18-12-15/h1-7,12H,8-11,13H2,(H,19,21)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha3beta4 nAChR expressed in HEK292 cells after 4 hrs by liquid scintillation counting


Bioorg Med Chem Lett 22: 2380-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.052
BindingDB Entry DOI: 10.7270/Q23779QR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50380099
PNG
(CHEMBL2012936)
Show SMILES O=C(CCCN1CCOCC1)Nc1ccc(cc1)-c1cccnc1
Show InChI InChI=1S/C19H23N3O2/c23-19(4-2-10-22-11-13-24-14-12-22)21-18-7-5-16(6-8-18)17-3-1-9-20-15-17/h1,3,5-9,15H,2,4,10-14H2,(H,21,23)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha3beta4 nAChR expressed in HEK292 cells after 4 hrs by liquid scintillation counting


Bioorg Med Chem Lett 22: 2380-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.052
BindingDB Entry DOI: 10.7270/Q23779QR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50380097
PNG
(CHEMBL2012935)
Show SMILES O=C(CN1CCOCC1)Nc1ccc(cc1)-c1cccnc1
Show InChI InChI=1S/C17H19N3O2/c21-17(13-20-8-10-22-11-9-20)19-16-5-3-14(4-6-16)15-2-1-7-18-12-15/h1-7,12H,8-11,13H2,(H,19,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha4beta2 nAChR expressed in HEK292 cells after 4 hrs by liquid scintillation counting


Bioorg Med Chem Lett 22: 2380-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.052
BindingDB Entry DOI: 10.7270/Q23779QR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50380100
PNG
(CHEMBL2012937)
Show SMILES O=C(CCCCCN1CCOCC1)Nc1ccc(cc1)-c1cccnc1
Show InChI InChI=1S/C21H27N3O2/c25-21(6-2-1-3-12-24-13-15-26-16-14-24)23-20-9-7-18(8-10-20)19-5-4-11-22-17-19/h4-5,7-11,17H,1-3,6,12-16H2,(H,23,25)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha3beta4 nAChR expressed in HEK292 cells after 4 hrs by liquid scintillation counting


Bioorg Med Chem Lett 22: 2380-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.052
BindingDB Entry DOI: 10.7270/Q23779QR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50380099
PNG
(CHEMBL2012936)
Show SMILES O=C(CCCN1CCOCC1)Nc1ccc(cc1)-c1cccnc1
Show InChI InChI=1S/C19H23N3O2/c23-19(4-2-10-22-11-13-24-14-12-22)21-18-7-5-16(6-8-18)17-3-1-9-20-15-17/h1,3,5-9,15H,2,4,10-14H2,(H,21,23)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha7 nAChR expressed in HEK292 cells after 4 hrs by liquid scintillation counting


Bioorg Med Chem Lett 22: 2380-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.052
BindingDB Entry DOI: 10.7270/Q23779QR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50300802
PNG
(5-Morpholin-4-ylpentanoic acid(4-pyridin-3-ylpheny...)
Show SMILES O=C(CCCCN1CCOCC1)Nc1ccc(cc1)-c1cccnc1
Show InChI InChI=1S/C20H25N3O2/c24-20(5-1-2-11-23-12-14-25-15-13-23)22-19-8-6-17(7-9-19)18-4-3-10-21-16-18/h3-4,6-10,16H,1-2,5,11-15H2,(H,22,24)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha3beta4 nAChR expressed in HEK292 cells after 4 hrs by liquid scintillation counting


Bioorg Med Chem Lett 22: 2380-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.052
BindingDB Entry DOI: 10.7270/Q23779QR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50380098
PNG
(CHEMBL2010825)
Show SMILES O=C(CCN1CCOCC1)Nc1ccc(cc1)-c1cccnc1
Show InChI InChI=1S/C18H21N3O2/c22-18(7-9-21-10-12-23-13-11-21)20-17-5-3-15(4-6-17)16-2-1-8-19-14-16/h1-6,8,14H,7,9-13H2,(H,20,22)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha3beta4 nAChR expressed in HEK292 cells after 4 hrs by liquid scintillation counting


Bioorg Med Chem Lett 22: 2380-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.052
BindingDB Entry DOI: 10.7270/Q23779QR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50380100
PNG
(CHEMBL2012937)
Show SMILES O=C(CCCCCN1CCOCC1)Nc1ccc(cc1)-c1cccnc1
Show InChI InChI=1S/C21H27N3O2/c25-21(6-2-1-3-12-24-13-15-26-16-14-24)23-20-9-7-18(8-10-20)19-5-4-11-22-17-19/h4-5,7-11,17H,1-3,6,12-16H2,(H,23,25)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha7 nAChR expressed in HEK292 cells after 4 hrs by liquid scintillation counting


Bioorg Med Chem Lett 22: 2380-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.052
BindingDB Entry DOI: 10.7270/Q23779QR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50300802
PNG
(5-Morpholin-4-ylpentanoic acid(4-pyridin-3-ylpheny...)
Show SMILES O=C(CCCCN1CCOCC1)Nc1ccc(cc1)-c1cccnc1
Show InChI InChI=1S/C20H25N3O2/c24-20(5-1-2-11-23-12-14-25-15-13-23)22-19-8-6-17(7-9-19)18-4-3-10-21-16-18/h3-4,6-10,16H,1-2,5,11-15H2,(H,22,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha4beta2 nAChR expressed in HEK292 cells after 4 hrs by liquid scintillation counting


Bioorg Med Chem Lett 22: 2380-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.052
BindingDB Entry DOI: 10.7270/Q23779QR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50380100
PNG
(CHEMBL2012937)
Show SMILES O=C(CCCCCN1CCOCC1)Nc1ccc(cc1)-c1cccnc1
Show InChI InChI=1S/C21H27N3O2/c25-21(6-2-1-3-12-24-13-15-26-16-14-24)23-20-9-7-18(8-10-20)19-5-4-11-22-17-19/h4-5,7-11,17H,1-3,6,12-16H2,(H,23,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha4beta2 nAChR expressed in HEK292 cells after 4 hrs by liquid scintillation counting


Bioorg Med Chem Lett 22: 2380-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.052
BindingDB Entry DOI: 10.7270/Q23779QR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50380099
PNG
(CHEMBL2012936)
Show SMILES O=C(CCCN1CCOCC1)Nc1ccc(cc1)-c1cccnc1
Show InChI InChI=1S/C19H23N3O2/c23-19(4-2-10-22-11-13-24-14-12-22)21-18-7-5-16(6-8-18)17-3-1-9-20-15-17/h1,3,5-9,15H,2,4,10-14H2,(H,21,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha4beta2 nAChR expressed in HEK292 cells after 4 hrs by liquid scintillation counting


Bioorg Med Chem Lett 22: 2380-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.052
BindingDB Entry DOI: 10.7270/Q23779QR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50380098
PNG
(CHEMBL2010825)
Show SMILES O=C(CCN1CCOCC1)Nc1ccc(cc1)-c1cccnc1
Show InChI InChI=1S/C18H21N3O2/c22-18(7-9-21-10-12-23-13-11-21)20-17-5-3-15(4-6-17)16-2-1-8-19-14-16/h1-6,8,14H,7,9-13H2,(H,20,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha4beta2 nAChR expressed in HEK292 cells after 4 hrs by liquid scintillation counting


Bioorg Med Chem Lett 22: 2380-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.052
BindingDB Entry DOI: 10.7270/Q23779QR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50300811
PNG
(CHEMBL576234 | N-{4-[4-(2,4-dimethoxyphenyl)-piper...)
Show SMILES COc1ccc(N2CCN(CCCCNC(=O)c3ccc(cc3)-c3ccccn3)CC2)c(OC)c1
Show InChI InChI=1S/C28H34N4O3/c1-34-24-12-13-26(27(21-24)35-2)32-19-17-31(18-20-32)16-6-5-15-30-28(33)23-10-8-22(9-11-23)25-7-3-4-14-29-25/h3-4,7-14,21H,5-6,15-20H2,1-2H3,(H,30,33)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 2.84E+3n/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha7 nAChR expressed in HEK292 cells after 4 hrs by liquid scintillation counting


Bioorg Med Chem Lett 22: 2380-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.052
BindingDB Entry DOI: 10.7270/Q23779QR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50300802
PNG
(5-Morpholin-4-ylpentanoic acid(4-pyridin-3-ylpheny...)
Show SMILES O=C(CCCCN1CCOCC1)Nc1ccc(cc1)-c1cccnc1
Show InChI InChI=1S/C20H25N3O2/c24-20(5-1-2-11-23-12-14-25-15-13-23)22-19-8-6-17(7-9-19)18-4-3-10-21-16-18/h3-4,6-10,16H,1-2,5,11-15H2,(H,22,24)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.65E+3n/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha7 nAChR expressed in HEK292 cells after 4 hrs by liquid scintillation counting


Bioorg Med Chem Lett 22: 2380-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.052
BindingDB Entry DOI: 10.7270/Q23779QR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50300802
PNG
(5-Morpholin-4-ylpentanoic acid(4-pyridin-3-ylpheny...)
Show SMILES O=C(CCCCN1CCOCC1)Nc1ccc(cc1)-c1cccnc1
Show InChI InChI=1S/C20H25N3O2/c24-20(5-1-2-11-23-12-14-25-15-13-23)22-19-8-6-17(7-9-19)18-4-3-10-21-16-18/h3-4,6-10,16H,1-2,5,11-15H2,(H,22,24)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 9.50E+3n/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Partial agonist activity at wild type rat recombinant alpha7 nAChR expressed in Xenopus oocyte by voltage clamp electrophysiology assay


Bioorg Med Chem Lett 22: 2380-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.052
BindingDB Entry DOI: 10.7270/Q23779QR
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%