BindingDB logo
myBDB logout

12 similar compounds to monomer 50162986

Compile data set for download or QSAR
Wt: 220.3
BDBM50069837
Wt: 206.2
BDBM50069839
Wt: 292.3
BDBM50097613
Wt: 306.4
BDBM50097615
Wt: 288.3
BDBM50162987
Wt: 272.3
BDBM50162982
Wt: 274.3
BDBM50162985
Wt: 290.3
BDBM50162984
Wt: 246.3
BDBM50162988
Wt: 344.4
BDBM50162989
Wt: 258.3
BDBM50019146
Wt: 258.3
BDBM50019147

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 33 hits for monomerid = 50069837,50069839,50097613,50097615,50162987,50162982,50162985,50162984,50162988,50162989,50019146,50019147   
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


(Rattus norvegicus (Rat))
BDBM50097613
PNG
(3-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-5-phenylet...)
Show SMILES CN1CCC[C@H]1COc1cncc(c1)C#Cc1ccccc1
Show InChI InChI=1S/C19H20N2O/c1-21-11-5-8-18(21)15-22-19-12-17(13-20-14-19)10-9-16-6-3-2-4-7-16/h2-4,6-7,12-14,18H,5,8,11,15H2,1H3/t18-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.160n/an/an/an/an/an/an/an/a



Abbott Laboratories

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 11: 631-3 (2001)


Article DOI: 10.1016/s0960-894x(01)00030-0
BindingDB Entry DOI: 10.7270/Q2WM1CPS
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50097615
PNG
(3-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-5-p-tolyle...)
Show SMILES CN1CCC[C@H]1COc1cncc(c1)C#Cc1ccc(C)cc1
Show InChI InChI=1S/C20H22N2O/c1-16-5-7-17(8-6-16)9-10-18-12-20(14-21-13-18)23-15-19-4-3-11-22(19)2/h5-8,12-14,19H,3-4,11,15H2,1-2H3/t19-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.310n/an/an/an/an/an/an/an/a



Abbott Laboratories

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 11: 631-3 (2001)


Article DOI: 10.1016/s0960-894x(01)00030-0
BindingDB Entry DOI: 10.7270/Q2WM1CPS
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50069837
PNG
(3-Ethyl-5-((S)-1-methyl-pyrrolidin-2-ylmethoxy)-py...)
Show SMILES CCc1cncc(OC[C@@H]2CCCN2C)c1
Show InChI InChI=1S/C13H20N2O/c1-3-11-7-13(9-14-8-11)16-10-12-5-4-6-15(12)2/h7-9,12H,3-6,10H2,1-2H3/t12-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.320n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Stimulation of cation efflux in human nAChR alpha4-beta2 expressing K177 cells


Bioorg Med Chem Lett 8: 249-54 (1999)


Article DOI: 10.1016/s0960-894x(98)00019-5
BindingDB Entry DOI: 10.7270/Q2P26X90
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50069839
PNG
(3-Methyl-5-((S)-1-methyl-pyrrolidin-2-ylmethoxy)-p...)
Show SMILES CN1CCC[C@H]1COc1cncc(C)c1
Show InChI InChI=1S/C12H18N2O/c1-10-6-12(8-13-7-10)15-9-11-4-3-5-14(11)2/h6-8,11H,3-5,9H2,1-2H3/t11-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.480n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Stimulation of cation efflux in human nAChR alpha4-beta2 expressing K177 cells


Bioorg Med Chem Lett 8: 249-54 (1999)


Article DOI: 10.1016/s0960-894x(98)00019-5
BindingDB Entry DOI: 10.7270/Q2P26X90
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50019147
PNG
(CHEMBL3289074)
Show SMILES CCCCC#Cc1cncc(OC[C@H]2CCCN2)c1
Show InChI InChI=1S/C16H22N2O/c1-2-3-4-5-7-14-10-16(12-17-11-14)19-13-15-8-6-9-18-15/h10-12,15,18H,2-4,6,8-9,13H2,1H3/t15-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.490n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatadine from rat alpha4beta2 nAChR expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem Lett 24: 2954-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.036
BindingDB Entry DOI: 10.7270/Q27P910H
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50097613
PNG
(3-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-5-phenylet...)
Show SMILES CN1CCC[C@H]1COc1cncc(c1)C#Cc1ccccc1
Show InChI InChI=1S/C19H20N2O/c1-21-11-5-8-18(21)15-22-19-12-17(13-20-14-19)10-9-16-6-3-2-4-7-16/h2-4,6-7,12-14,18H,5,8,11,15H2,1H3/t18-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.510n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


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


J Med Chem 48: 1721-4 (2005)


Article DOI: 10.1021/jm0492406
BindingDB Entry DOI: 10.7270/Q2BZ65JW
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50162987
PNG
(6-[5-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-pyridin...)
Show SMILES CN1CCC[C@H]1COc1cncc(c1)C#CCCCCO
Show InChI InChI=1S/C17H24N2O2/c1-19-9-6-8-16(19)14-21-17-11-15(12-18-13-17)7-4-2-3-5-10-20/h11-13,16,20H,2-3,5-6,8-10,14H2,1H3/t16-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.850n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


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


J Med Chem 48: 1721-4 (2005)


Article DOI: 10.1021/jm0492406
BindingDB Entry DOI: 10.7270/Q2BZ65JW
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50162988
PNG
(3-[5-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-pyridin...)
Show SMILES CN1CCC[C@H]1COc1cncc(c1)C#CCO
Show InChI InChI=1S/C14H18N2O2/c1-16-6-2-5-13(16)11-18-14-8-12(4-3-7-17)9-15-10-14/h8-10,13,17H,2,5-7,11H2,1H3/t13-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.930n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


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


J Med Chem 48: 1721-4 (2005)


Article DOI: 10.1021/jm0492406
BindingDB Entry DOI: 10.7270/Q2BZ65JW
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50162984
PNG
(3-(6-Fluoro-hex-1-ynyl)-5-((S)-1-methyl-pyrrolidin...)
Show SMILES CN1CCC[C@H]1COc1cncc(c1)C#CCCCCF
Show InChI InChI=1S/C17H23FN2O/c1-20-10-6-8-16(20)14-21-17-11-15(12-19-13-17)7-4-2-3-5-9-18/h11-13,16H,2-3,5-6,8-10,14H2,1H3/t16-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.950n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


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


J Med Chem 48: 1721-4 (2005)


Article DOI: 10.1021/jm0492406
BindingDB Entry DOI: 10.7270/Q2BZ65JW
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50019146
PNG
(CHEMBL3289073)
Show SMILES CCCCC#Cc1cncc(OC[C@@H]2CCCN2)c1
Show InChI InChI=1S/C16H22N2O/c1-2-3-4-5-7-14-10-16(12-17-11-14)19-13-15-8-6-9-18-15/h10-12,15,18H,2-4,6,8-9,13H2,1H3/t15-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1.20n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatadine from rat alpha4beta2 nAChR expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem Lett 24: 2954-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.036
BindingDB Entry DOI: 10.7270/Q27P910H
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50162982
PNG
(3-Hex-1-ynyl-5-((S)-1-methyl-pyrrolidin-2-ylmethox...)
Show SMILES CCCCC#Cc1cncc(OC[C@@H]2CCCN2C)c1
Show InChI InChI=1S/C17H24N2O/c1-3-4-5-6-8-15-11-17(13-18-12-15)20-14-16-9-7-10-19(16)2/h11-13,16H,3-5,7,9-10,14H2,1-2H3/t16-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1.40n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


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


J Med Chem 48: 1721-4 (2005)


Article DOI: 10.1021/jm0492406
BindingDB Entry DOI: 10.7270/Q2BZ65JW
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50162985
PNG
(2-Methyl-4-[5-((S)-1-methyl-pyrrolidin-2-ylmethoxy...)
Show SMILES CN1CCC[C@H]1COc1cncc(c1)C#CC(C)(C)O
Show InChI InChI=1S/C16H22N2O2/c1-16(2,19)7-6-13-9-15(11-17-10-13)20-12-14-5-4-8-18(14)3/h9-11,14,19H,4-5,8,12H2,1-3H3/t14-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
2.90n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


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


J Med Chem 48: 1721-4 (2005)


Article DOI: 10.1021/jm0492406
BindingDB Entry DOI: 10.7270/Q2BZ65JW
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50162982
PNG
(3-Hex-1-ynyl-5-((S)-1-methyl-pyrrolidin-2-ylmethox...)
Show SMILES CCCCC#Cc1cncc(OC[C@@H]2CCCN2C)c1
Show InChI InChI=1S/C17H24N2O/c1-3-4-5-6-8-15-11-17(13-18-12-15)20-14-16-9-7-10-19(16)2/h11-13,16H,3-5,7,9-10,14H2,1-2H3/t16-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
4n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of [3H]epibatidine binding to rat Nicotinic acetylcholine receptor alpha3-beta4


J Med Chem 48: 1721-4 (2005)


Article DOI: 10.1021/jm0492406
BindingDB Entry DOI: 10.7270/Q2BZ65JW
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50162989
PNG
(10-[5-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-pyridi...)
Show SMILES CN1CCC[C@H]1COc1cncc(c1)C#CCCCCCCCCO
Show InChI InChI=1S/C21H32N2O2/c1-23-13-10-12-20(23)18-25-21-15-19(16-22-17-21)11-8-6-4-2-3-5-7-9-14-24/h15-17,20,24H,2-7,9-10,12-14,18H2,1H3/t20-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
6.10n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


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


J Med Chem 48: 1721-4 (2005)


Article DOI: 10.1021/jm0492406
BindingDB Entry DOI: 10.7270/Q2BZ65JW
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-2 subunit


(Homo sapiens (Human))
BDBM50162988
PNG
(3-[5-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-pyridin...)
Show SMILES CN1CCC[C@H]1COc1cncc(c1)C#CCO
Show InChI InChI=1S/C14H18N2O2/c1-16-6-2-5-13(16)11-18-14-8-12(4-3-7-17)9-15-10-14/h8-10,13,17H,2,5-7,11H2,1H3/t13-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
7.10n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of [3H]epibatidine binding to Nicotinic acetylcholine receptor alpha3-beta2


J Med Chem 48: 1721-4 (2005)


Article DOI: 10.1021/jm0492406
BindingDB Entry DOI: 10.7270/Q2BZ65JW
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-2 subunit


(Homo sapiens (Human))
BDBM50097613
PNG
(3-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-5-phenylet...)
Show SMILES CN1CCC[C@H]1COc1cncc(c1)C#Cc1ccccc1
Show InChI InChI=1S/C19H20N2O/c1-21-11-5-8-18(21)15-22-19-12-17(13-20-14-19)10-9-16-6-3-2-4-7-16/h2-4,6-7,12-14,18H,5,8,11,15H2,1H3/t18-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
8.60n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of [3H]epibatidine binding to Nicotinic acetylcholine receptor alpha3-beta2


J Med Chem 48: 1721-4 (2005)


Article DOI: 10.1021/jm0492406
BindingDB Entry DOI: 10.7270/Q2BZ65JW
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-2 subunit


(Homo sapiens (Human))
BDBM50162987
PNG
(6-[5-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-pyridin...)
Show SMILES CN1CCC[C@H]1COc1cncc(c1)C#CCCCCO
Show InChI InChI=1S/C17H24N2O2/c1-19-9-6-8-16(19)14-21-17-11-15(12-18-13-17)7-4-2-3-5-10-20/h11-13,16,20H,2-3,5-6,8-10,14H2,1H3/t16-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
13n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of [3H]epibatidine binding to Nicotinic acetylcholine receptor alpha3-beta2


J Med Chem 48: 1721-4 (2005)


Article DOI: 10.1021/jm0492406
BindingDB Entry DOI: 10.7270/Q2BZ65JW
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-2 subunit


(Homo sapiens (Human))
BDBM50162984
PNG
(3-(6-Fluoro-hex-1-ynyl)-5-((S)-1-methyl-pyrrolidin...)
Show SMILES CN1CCC[C@H]1COc1cncc(c1)C#CCCCCF
Show InChI InChI=1S/C17H23FN2O/c1-20-10-6-8-16(20)14-21-17-11-15(12-19-13-17)7-4-2-3-5-9-18/h11-13,16H,2-3,5-6,8-10,14H2,1H3/t16-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
14n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of [3H]epibatidine binding to Nicotinic acetylcholine receptor alpha3-beta2


J Med Chem 48: 1721-4 (2005)


Article DOI: 10.1021/jm0492406
BindingDB Entry DOI: 10.7270/Q2BZ65JW
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-2 subunit


(Homo sapiens (Human))
BDBM50162982
PNG
(3-Hex-1-ynyl-5-((S)-1-methyl-pyrrolidin-2-ylmethox...)
Show SMILES CCCCC#Cc1cncc(OC[C@@H]2CCCN2C)c1
Show InChI InChI=1S/C17H24N2O/c1-3-4-5-6-8-15-11-17(13-18-12-15)20-14-16-9-7-10-19(16)2/h11-13,16H,3-5,7,9-10,14H2,1-2H3/t16-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
21n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of [3H]epibatidine binding to Nicotinic acetylcholine receptor alpha3-beta2


J Med Chem 48: 1721-4 (2005)


Article DOI: 10.1021/jm0492406
BindingDB Entry DOI: 10.7270/Q2BZ65JW
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50162988
PNG
(3-[5-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-pyridin...)
Show SMILES CN1CCC[C@H]1COc1cncc(c1)C#CCO
Show InChI InChI=1S/C14H18N2O2/c1-16-6-2-5-13(16)11-18-14-8-12(4-3-7-17)9-15-10-14/h8-10,13,17H,2,5-7,11H2,1H3/t13-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
23n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of [3H]epibatidine binding to rat Nicotinic acetylcholine receptor alpha3-beta4


J Med Chem 48: 1721-4 (2005)


Article DOI: 10.1021/jm0492406
BindingDB Entry DOI: 10.7270/Q2BZ65JW
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-2 subunit


(Homo sapiens (Human))
BDBM50162985
PNG
(2-Methyl-4-[5-((S)-1-methyl-pyrrolidin-2-ylmethoxy...)
Show SMILES CN1CCC[C@H]1COc1cncc(c1)C#CC(C)(C)O
Show InChI InChI=1S/C16H22N2O2/c1-16(2,19)7-6-13-9-15(11-17-10-13)20-12-14-5-4-8-18(14)3/h9-11,14,19H,4-5,8,12H2,1-3H3/t14-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
23n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of [3H]epibatidine binding to Nicotinic acetylcholine receptor alpha3-beta2


J Med Chem 48: 1721-4 (2005)


Article DOI: 10.1021/jm0492406
BindingDB Entry DOI: 10.7270/Q2BZ65JW
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-2 subunit


(Homo sapiens (Human))
BDBM50162989
PNG
(10-[5-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-pyridi...)
Show SMILES CN1CCC[C@H]1COc1cncc(c1)C#CCCCCCCCCO
Show InChI InChI=1S/C21H32N2O2/c1-23-13-10-12-20(23)18-25-21-15-19(16-22-17-21)11-8-6-4-2-3-5-7-9-14-24/h15-17,20,24H,2-7,9-10,12-14,18H2,1H3/t20-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
48n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of [3H]epibatidine binding to Nicotinic acetylcholine receptor alpha3-beta2


J Med Chem 48: 1721-4 (2005)


Article DOI: 10.1021/jm0492406
BindingDB Entry DOI: 10.7270/Q2BZ65JW
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-2/beta-2 subunit


(Homo sapiens (Human))
BDBM50162985
PNG
(2-Methyl-4-[5-((S)-1-methyl-pyrrolidin-2-ylmethoxy...)
Show SMILES CN1CCC[C@H]1COc1cncc(c1)C#CC(C)(C)O
Show InChI InChI=1S/C16H22N2O2/c1-16(2,19)7-6-13-9-15(11-17-10-13)20-12-14-5-4-8-18(14)3/h9-11,14,19H,4-5,8,12H2,1-3H3/t14-/m0/s1
PDB

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
61n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity against nicotinic acetylcholine receptor subtype alpha2-beta2


J Med Chem 48: 1721-4 (2005)


Article DOI: 10.1021/jm0492406
BindingDB Entry DOI: 10.7270/Q2BZ65JW
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50162987
PNG
(6-[5-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-pyridin...)
Show SMILES CN1CCC[C@H]1COc1cncc(c1)C#CCCCCO
Show InChI InChI=1S/C17H24N2O2/c1-19-9-6-8-16(19)14-21-17-11-15(12-18-13-17)7-4-2-3-5-10-20/h11-13,16,20H,2-3,5-6,8-10,14H2,1H3/t16-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
63n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of [3H]epibatidine binding to rat Nicotinic acetylcholine receptor alpha3-beta4


J Med Chem 48: 1721-4 (2005)


Article DOI: 10.1021/jm0492406
BindingDB Entry DOI: 10.7270/Q2BZ65JW
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50162989
PNG
(10-[5-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-pyridi...)
Show SMILES CN1CCC[C@H]1COc1cncc(c1)C#CCCCCCCCCO
Show InChI InChI=1S/C21H32N2O2/c1-23-13-10-12-20(23)18-25-21-15-19(16-22-17-21)11-8-6-4-2-3-5-7-9-14-24/h15-17,20,24H,2-7,9-10,12-14,18H2,1H3/t20-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
66n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of [3H]epibatidine binding to rat Nicotinic acetylcholine receptor alpha3-beta4


J Med Chem 48: 1721-4 (2005)


Article DOI: 10.1021/jm0492406
BindingDB Entry DOI: 10.7270/Q2BZ65JW
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50097613
PNG
(3-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-5-phenylet...)
Show SMILES CN1CCC[C@H]1COc1cncc(c1)C#Cc1ccccc1
Show InChI InChI=1S/C19H20N2O/c1-21-11-5-8-18(21)15-22-19-12-17(13-20-14-19)10-9-16-6-3-2-4-7-16/h2-4,6-7,12-14,18H,5,8,11,15H2,1H3/t18-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
81n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of [3H]epibatidine binding to rat Nicotinic acetylcholine receptor alpha3-beta4


J Med Chem 48: 1721-4 (2005)


Article DOI: 10.1021/jm0492406
BindingDB Entry DOI: 10.7270/Q2BZ65JW
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50162984
PNG
(3-(6-Fluoro-hex-1-ynyl)-5-((S)-1-methyl-pyrrolidin...)
Show SMILES CN1CCC[C@H]1COc1cncc(c1)C#CCCCCF
Show InChI InChI=1S/C17H23FN2O/c1-20-10-6-8-16(20)14-21-17-11-15(12-19-13-17)7-4-2-3-5-9-18/h11-13,16H,2-3,5-6,8-10,14H2,1H3/t16-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

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



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of [3H]epibatidine binding to rat Nicotinic acetylcholine receptor alpha3-beta4


J Med Chem 48: 1721-4 (2005)


Article DOI: 10.1021/jm0492406
BindingDB Entry DOI: 10.7270/Q2BZ65JW
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50019147
PNG
(CHEMBL3289074)
Show SMILES CCCCC#Cc1cncc(OC[C@H]2CCCN2)c1
Show InChI InChI=1S/C16H22N2O/c1-2-3-4-5-7-14-10-16(12-17-11-14)19-13-15-8-6-9-18-15/h10-12,15,18H,2-4,6,8-9,13H2,1H3/t15-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
9.10E+3n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatadine from rat alpha7 nAChR expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem Lett 24: 2954-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.036
BindingDB Entry DOI: 10.7270/Q27P910H
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50019147
PNG
(CHEMBL3289074)
Show SMILES CCCCC#Cc1cncc(OC[C@H]2CCCN2)c1
Show InChI InChI=1S/C16H22N2O/c1-2-3-4-5-7-14-10-16(12-17-11-14)19-13-15-8-6-9-18-15/h10-12,15,18H,2-4,6,8-9,13H2,1H3/t15-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.20E+4n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatadine from rat alpha3beta4 nAChR expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem Lett 24: 2954-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.036
BindingDB Entry DOI: 10.7270/Q27P910H
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50019146
PNG
(CHEMBL3289073)
Show SMILES CCCCC#Cc1cncc(OC[C@@H]2CCCN2)c1
Show InChI InChI=1S/C16H22N2O/c1-2-3-4-5-7-14-10-16(12-17-11-14)19-13-15-8-6-9-18-15/h10-12,15,18H,2-4,6,8-9,13H2,1H3/t15-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1.80E+4n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatadine from rat alpha3beta4 nAChR expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem Lett 24: 2954-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.036
BindingDB Entry DOI: 10.7270/Q27P910H
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50019146
PNG
(CHEMBL3289073)
Show SMILES CCCCC#Cc1cncc(OC[C@@H]2CCCN2)c1
Show InChI InChI=1S/C16H22N2O/c1-2-3-4-5-7-14-10-16(12-17-11-14)19-13-15-8-6-9-18-15/h10-12,15,18H,2-4,6,8-9,13H2,1H3/t15-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
3.50E+4n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatadine from rat alpha7 nAChR expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem Lett 24: 2954-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.036
BindingDB Entry DOI: 10.7270/Q27P910H
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50069839
PNG
(3-Methyl-5-((S)-1-methyl-pyrrolidin-2-ylmethoxy)-p...)
Show SMILES CN1CCC[C@H]1COc1cncc(C)c1
Show InChI InChI=1S/C12H18N2O/c1-10-6-12(8-13-7-10)15-9-11-4-3-5-14(11)2/h6-8,11H,3-5,9H2,1-2H3/t11-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 2.30E+3n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards nAChR (alpha4-beta2) by the displacement of [3H]-(-)-cytisine in whole rat brain membranes.


Bioorg Med Chem Lett 8: 249-54 (1999)


Article DOI: 10.1016/s0960-894x(98)00019-5
BindingDB Entry DOI: 10.7270/Q2P26X90
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50069837
PNG
(3-Ethyl-5-((S)-1-methyl-pyrrolidin-2-ylmethoxy)-py...)
Show SMILES CCc1cncc(OC[C@@H]2CCCN2C)c1
Show InChI InChI=1S/C13H20N2O/c1-3-11-7-13(9-14-8-11)16-10-12-5-4-6-15(12)2/h7-9,12H,3-6,10H2,1-2H3/t12-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 1.00E+3n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards nAChR (alpha4-beta2) by the displacement of [3H]-(-)-cytisine in whole rat brain membranes.


Bioorg Med Chem Lett 8: 249-54 (1999)


Article DOI: 10.1016/s0960-894x(98)00019-5
BindingDB Entry DOI: 10.7270/Q2P26X90
More data for this
Ligand-Target Pair