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13 similar compounds to monomer 50162984

Wt: 292.3
BDBM50097613
Wt: 306.4
BDBM50097615
Wt: 288.3
BDBM50162987
Wt: 272.3
BDBM50162982
Wt: 274.3
BDBM50162985
Wt: 216.2
BDBM50162986
Wt: 246.3
BDBM50162988
Wt: 344.4
BDBM50162989
Wt: 260.3
BDBM50382474
Purchase
Wt: 244.3
BDBM50019144
Wt: 244.3
BDBM50019145
Wt: 258.3
BDBM50019146
Wt: 258.3
BDBM50019147

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 60 hits for monomerid = 50097613,50097615,50162987,50162982,50162985,50162986,50162988,50162989,50382474,50019144,50019145,50019146,50019147   
Target
(Institution)
LigandTarget
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))
BDBM50382474
PNG
(CHEMBL2024096 | US9303017, Sazetidine-A)
Show SMILES OCCCCC#Cc1cncc(OC[C@@H]2CCN2)c1
Show InChI InChI=1S/C15H20N2O2/c18-8-4-2-1-3-5-13-9-15(11-16-10-13)19-12-14-6-7-17-14/h9-11,14,17-18H,1-2,4,6-8,12H2/t14-/m0/s1
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US Patent
0.0620n/an/an/an/an/an/an/an/a



Georgetown University; Duke University

US Patent


Assay Description
Briefly, cultured cells at >80% confluence were removed from their flasks (80 cm^2) with a disposable cell scraper and placed in 10 mL of 50 mM Tris....


US Patent US9303017 (2016)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50382474
PNG
(CHEMBL2024096 | US9303017, Sazetidine-A)
Show SMILES OCCCCC#Cc1cncc(OC[C@@H]2CCN2)c1
Show InChI InChI=1S/C15H20N2O2/c18-8-4-2-1-3-5-13-9-15(11-16-10-13)19-12-14-6-7-17-14/h9-11,14,17-18H,1-2,4,6-8,12H2/t14-/m0/s1
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0.0620n/an/an/an/an/an/an/an/a



Georgetown University

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from human alpha4beta2 nAChR after 4 hrs by cell-based assay


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-2/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50382474
PNG
(CHEMBL2024096 | US9303017, Sazetidine-A)
Show SMILES OCCCCC#Cc1cncc(OC[C@@H]2CCN2)c1
Show InChI InChI=1S/C15H20N2O2/c18-8-4-2-1-3-5-13-9-15(11-16-10-13)19-12-14-6-7-17-14/h9-11,14,17-18H,1-2,4,6-8,12H2/t14-/m0/s1
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US Patent
0.0870n/an/an/an/an/an/an/an/a



Georgetown University; Duke University

US Patent


Assay Description
Briefly, cultured cells at >80% confluence were removed from their flasks (80 cm^2) with a disposable cell scraper and placed in 10 mL of 50 mM Tris....


US Patent US9303017 (2016)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50019144
PNG
(CHEMBL3289071)
Show SMILES CCCCC#Cc1cncc(OC[C@@H]2CCN2)c1
Show InChI InChI=1S/C15H20N2O/c1-2-3-4-5-6-13-9-15(11-16-10-13)18-12-14-7-8-17-14/h9-11,14,17H,2-4,7-8,12H2,1H3/t14-/m0/s1
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0.100n/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


Citation and Details
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
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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)

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
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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)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50382474
PNG
(CHEMBL2024096 | US9303017, Sazetidine-A)
Show SMILES OCCCCC#Cc1cncc(OC[C@@H]2CCN2)c1
Show InChI InChI=1S/C15H20N2O2/c18-8-4-2-1-3-5-13-9-15(11-16-10-13)19-12-14-6-7-17-14/h9-11,14,17-18H,1-2,4,6-8,12H2/t14-/m0/s1
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US Patent
0.380n/an/an/an/an/an/an/an/a



Georgetown University; Duke University

US Patent


Assay Description
Briefly, cultured cells at >80% confluence were removed from their flasks (80 cm^2) with a disposable cell scraper and placed in 10 mL of 50 mM Tris....


US Patent US9303017 (2016)

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
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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


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50019145
PNG
(CHEMBL3289072)
Show SMILES CCCCC#Cc1cncc(OC[C@H]2CCN2)c1
Show InChI InChI=1S/C15H20N2O/c1-2-3-4-5-6-13-9-15(11-16-10-13)18-12-14-7-8-17-14/h9-11,14,17H,2-4,7-8,12H2,1H3/t14-/m1/s1
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0.5n/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


Citation and Details
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
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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


Citation and Details
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
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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


Citation and Details
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
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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


Citation and Details
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
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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


Citation and Details
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
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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


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50162986
PNG
(3-Ethynyl-5-((S)-1-methyl-pyrrolidin-2-ylmethoxy)-...)
Show SMILES CN1CCC[C@H]1COc1cncc(c1)C#C
Show InChI InChI=1S/C13H16N2O/c1-3-11-7-13(9-14-8-11)16-10-12-5-4-6-15(12)2/h1,7-9,12H,4-6,10H2,2H3/t12-/m0/s1
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1.60n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


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


Citation and Details
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
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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


Citation and Details
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
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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


Citation and Details
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
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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


Citation and Details
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
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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


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-2 subunit


(Homo sapiens (Human))
BDBM50162986
PNG
(3-Ethynyl-5-((S)-1-methyl-pyrrolidin-2-ylmethoxy)-...)
Show SMILES CN1CCC[C@H]1COc1cncc(c1)C#C
Show InChI InChI=1S/C13H16N2O/c1-3-11-7-13(9-14-8-11)16-10-12-5-4-6-15(12)2/h1,7-9,12H,4-6,10H2,2H3/t12-/m0/s1
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8.20n/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


Citation and Details
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
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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


Citation and Details
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
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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


Citation and Details
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
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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


Citation and Details
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
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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


Citation and Details
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
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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


Citation and Details
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
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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


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50382474
PNG
(CHEMBL2024096 | US9303017, Sazetidine-A)
Show SMILES OCCCCC#Cc1cncc(OC[C@@H]2CCN2)c1
Show InChI InChI=1S/C15H20N2O2/c18-8-4-2-1-3-5-13-9-15(11-16-10-13)19-12-14-6-7-17-14/h9-11,14,17-18H,1-2,4,6-8,12H2/t14-/m0/s1
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52n/an/an/an/an/an/an/an/a



Georgetown University; Duke University

US Patent


Assay Description
Briefly, cultured cells at >80% confluence were removed from their flasks (80 cm^2) with a disposable cell scraper and placed in 10 mL of 50 mM Tris....


US Patent US9303017 (2016)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-2/beta-2 subunit


(HUMAN-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
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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


Citation and Details
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
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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


Citation and Details
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
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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


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50162986
PNG
(3-Ethynyl-5-((S)-1-methyl-pyrrolidin-2-ylmethoxy)-...)
Show SMILES CN1CCC[C@H]1COc1cncc(c1)C#C
Show InChI InChI=1S/C13H16N2O/c1-3-11-7-13(9-14-8-11)16-10-12-5-4-6-15(12)2/h1,7-9,12H,4-6,10H2,2H3/t12-/m0/s1
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68n/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


Citation and Details
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
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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


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-2/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50382474
PNG
(CHEMBL2024096 | US9303017, Sazetidine-A)
Show SMILES OCCCCC#Cc1cncc(OC[C@@H]2CCN2)c1
Show InChI InChI=1S/C15H20N2O2/c18-8-4-2-1-3-5-13-9-15(11-16-10-13)19-12-14-6-7-17-14/h9-11,14,17-18H,1-2,4,6-8,12H2/t14-/m0/s1
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210n/an/an/an/an/an/an/an/a



Georgetown University; Duke University

US Patent


Assay Description
Briefly, cultured cells at >80% confluence were removed from their flasks (80 cm^2) with a disposable cell scraper and placed in 10 mL of 50 mM Tris....


US Patent US9303017 (2016)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50382474
PNG
(CHEMBL2024096 | US9303017, Sazetidine-A)
Show SMILES OCCCCC#Cc1cncc(OC[C@@H]2CCN2)c1
Show InChI InChI=1S/C15H20N2O2/c18-8-4-2-1-3-5-13-9-15(11-16-10-13)19-12-14-6-7-17-14/h9-11,14,17-18H,1-2,4,6-8,12H2/t14-/m0/s1
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670n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]-Epibatidine from rat alpha7 nACHR expressed in HEK293 cell membranes membranes by liquid scintillation counting analysis


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50382474
PNG
(CHEMBL2024096 | US9303017, Sazetidine-A)
Show SMILES OCCCCC#Cc1cncc(OC[C@@H]2CCN2)c1
Show InChI InChI=1S/C15H20N2O2/c18-8-4-2-1-3-5-13-9-15(11-16-10-13)19-12-14-6-7-17-14/h9-11,14,17-18H,1-2,4,6-8,12H2/t14-/m0/s1
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670n/an/an/an/an/an/an/an/a



Georgetown University; Duke University

US Patent


Assay Description
Briefly, cultured cells at >80% confluence were removed from their flasks (80 cm^2) with a disposable cell scraper and placed in 10 mL of 50 mM Tris....


US Patent US9303017 (2016)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50382474
PNG
(CHEMBL2024096 | US9303017, Sazetidine-A)
Show SMILES OCCCCC#Cc1cncc(OC[C@@H]2CCN2)c1
Show InChI InChI=1S/C15H20N2O2/c18-8-4-2-1-3-5-13-9-15(11-16-10-13)19-12-14-6-7-17-14/h9-11,14,17-18H,1-2,4,6-8,12H2/t14-/m0/s1
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1.60E+3n/an/an/an/an/an/an/an/a



Georgetown University; Duke University

US Patent


Assay Description
Briefly, cultured cells at >80% confluence were removed from their flasks (80 cm^2) with a disposable cell scraper and placed in 10 mL of 50 mM Tris....


US Patent US9303017 (2016)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50019144
PNG
(CHEMBL3289071)
Show SMILES CCCCC#Cc1cncc(OC[C@@H]2CCN2)c1
Show InChI InChI=1S/C15H20N2O/c1-2-3-4-5-6-13-9-15(11-16-10-13)18-12-14-7-8-17-14/h9-11,14,17H,2-4,7-8,12H2,1H3/t14-/m0/s1
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1.70E+3n/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


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50382474
PNG
(CHEMBL2024096 | US9303017, Sazetidine-A)
Show SMILES OCCCCC#Cc1cncc(OC[C@@H]2CCN2)c1
Show InChI InChI=1S/C15H20N2O2/c18-8-4-2-1-3-5-13-9-15(11-16-10-13)19-12-14-6-7-17-14/h9-11,14,17-18H,1-2,4,6-8,12H2/t14-/m0/s1
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1.90E+3n/an/an/an/an/an/an/an/a



Georgetown University; Duke University

US Patent


Assay Description
Briefly, cultured cells at >80% confluence were removed from their flasks (80 cm^2) with a disposable cell scraper and placed in 10 mL of 50 mM Tris....


US Patent US9303017 (2016)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50019144
PNG
(CHEMBL3289071)
Show SMILES CCCCC#Cc1cncc(OC[C@@H]2CCN2)c1
Show InChI InChI=1S/C15H20N2O/c1-2-3-4-5-6-13-9-15(11-16-10-13)18-12-14-7-8-17-14/h9-11,14,17H,2-4,7-8,12H2,1H3/t14-/m0/s1
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1.90E+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


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50382474
PNG
(CHEMBL2024096 | US9303017, Sazetidine-A)
Show SMILES OCCCCC#Cc1cncc(OC[C@@H]2CCN2)c1
Show InChI InChI=1S/C15H20N2O2/c18-8-4-2-1-3-5-13-9-15(11-16-10-13)19-12-14-6-7-17-14/h9-11,14,17-18H,1-2,4,6-8,12H2/t14-/m0/s1
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1.90E+3n/an/an/an/an/an/an/an/a



Georgetown University

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha3beta4 nAChR expressed in HEK293 cells after 4 hrs


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50019145
PNG
(CHEMBL3289072)
Show SMILES CCCCC#Cc1cncc(OC[C@H]2CCN2)c1
Show InChI InChI=1S/C15H20N2O/c1-2-3-4-5-6-13-9-15(11-16-10-13)18-12-14-7-8-17-14/h9-11,14,17H,2-4,7-8,12H2,1H3/t14-/m1/s1
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5.20E+3n/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


Citation and Details
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
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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


Citation and Details
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
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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


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50019145
PNG
(CHEMBL3289072)
Show SMILES CCCCC#Cc1cncc(OC[C@H]2CCN2)c1
Show InChI InChI=1S/C15H20N2O/c1-2-3-4-5-6-13-9-15(11-16-10-13)18-12-14-7-8-17-14/h9-11,14,17H,2-4,7-8,12H2,1H3/t14-/m1/s1
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1.30E+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


Citation and Details
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
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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


Citation and Details
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
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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


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50382474
PNG
(CHEMBL2024096 | US9303017, Sazetidine-A)
Show SMILES OCCCCC#Cc1cncc(OC[C@@H]2CCN2)c1
Show InChI InChI=1S/C15H20N2O2/c18-8-4-2-1-3-5-13-9-15(11-16-10-13)19-12-14-6-7-17-14/h9-11,14,17-18H,1-2,4,6-8,12H2/t14-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Georgetown University; Duke University

US Patent


Assay Description
IC50(10′): The functional properties of the ligands were determined by 86Rb+ efflux assays in cells expressing α3β4 and α4β...


US Patent US9303017 (2016)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50382474
PNG
(CHEMBL2024096 | US9303017, Sazetidine-A)
Show SMILES OCCCCC#Cc1cncc(OC[C@@H]2CCN2)c1
Show InChI InChI=1S/C15H20N2O2/c18-8-4-2-1-3-5-13-9-15(11-16-10-13)19-12-14-6-7-17-14/h9-11,14,17-18H,1-2,4,6-8,12H2/t14-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Georgetown University; Duke University

US Patent


Assay Description
IC50(10′): The functional properties of the ligands were determined by 86Rb+ efflux assays in cells expressing α3β4 and α4β...


US Patent US9303017 (2016)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50382474
PNG
(CHEMBL2024096 | US9303017, Sazetidine-A)
Show SMILES OCCCCC#Cc1cncc(OC[C@@H]2CCN2)c1
Show InChI InChI=1S/C15H20N2O2/c18-8-4-2-1-3-5-13-9-15(11-16-10-13)19-12-14-6-7-17-14/h9-11,14,17-18H,1-2,4,6-8,12H2/t14-/m0/s1
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n/an/an/an/a 2.40E+4n/an/an/an/a



Georgetown University; Duke University

US Patent


Assay Description
The functional properties of the ligands were determined by 86Rb+ efflux assays in cells expressing α3β4 and α4β2 nAChR subtypes....


US Patent US9303017 (2016)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50382474
PNG
(CHEMBL2024096 | US9303017, Sazetidine-A)
Show SMILES OCCCCC#Cc1cncc(OC[C@@H]2CCN2)c1
Show InChI InChI=1S/C15H20N2O2/c18-8-4-2-1-3-5-13-9-15(11-16-10-13)19-12-14-6-7-17-14/h9-11,14,17-18H,1-2,4,6-8,12H2/t14-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



Georgetown University; Duke University

US Patent


Assay Description
IC50(10′): The functional properties of the ligands were determined by 86Rb+ efflux assays in cells expressing α3β4 and α4β...


US Patent US9303017 (2016)

More data for this
Ligand-Target Pair
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