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Compile Data Set for Download or QSAR

Found 102 hits of ic50 for UniProtKB: P02708   
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
Acetylcholine receptor subunit alpha


(Homo sapiens (Human))		BDBM50049757
PNG
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2 |TLB:4:7:11.10:13|
Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2
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n/an/a 160n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of [3H]alpha-BGT binding to alpha1 nicotinic acetylcholine receptor in Homo sapiens (human) TE671 cells co-expressing gammaalpha1deltabeta...

J Agric Food Chem 48: 6016-24 (2000)


Article DOI: 10.1021/jf000873c
BindingDB Entry DOI: 10.7270/Q27H1NGG
More data for this
Ligand-Target Pair
Acetylcholine receptor subunit alpha/beta/delta/gamma


(Homo sapiens (Human))		BDBM50094299
PNG
(CHEMBL15998 | N-[(S)-1-(12-Amino-dodecylcarbamoyl)...)
Show SMILES CCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCCCCCCCCCN
Show InChI InChI=1S/C25H43N3O3/c1-2-13-24(30)28-23(20-21-14-16-22(29)17-15-21)25(31)27-19-12-10-8-6-4-3-5-7-9-11-18-26/h14-17,23,29H,2-13,18-20,26H2,1H3,(H,27,31)(H,28,30)/t23-/m0/s1
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n/an/a 790n/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Antagonist activity at human muscle-type nAChR (embryonic muscle) expressed in TE671 cells; (end value).

J Med Chem 43: 4526-33 (2000)


Article DOI: 10.1021/jm000220n
BindingDB Entry DOI: 10.7270/Q2F192F2
More data for this
Ligand-Target Pair
Acetylcholine receptor subunit alpha


(Homo sapiens (Human))		BDBM50416397
PNG
(CHEMBL1210515)
Show SMILES O=C(Cn1nc(cc(Cc2ccco2)c1=O)C1CCCCC1)NC1Cc2ccccc2C1
Show InChI InChI=1S/C26H29N3O3/c30-25(27-22-13-19-9-4-5-10-20(19)14-22)17-29-26(31)21(15-23-11-6-12-32-23)16-24(28-29)18-7-2-1-3-8-18/h4-6,9-12,16,18,22H,1-3,7-8,13-15,17H2,(H,27,30)
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n/an/a 794n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha1 nAChR in human TE671 cells

Bioorg Med Chem Lett 20: 4561-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.014
BindingDB Entry DOI: 10.7270/Q2959JSG
More data for this
Ligand-Target Pair
Acetylcholine receptor subunit alpha


(Homo sapiens (Human))		BDBM50416396
PNG
(CHEMBL1210703)
Show SMILES Cc1ccc(NC(=O)c2cc(c(s2)N2CCOCC2)-c2ccccc2)c(C)c1
Show InChI InChI=1S/C23H24N2O2S/c1-16-8-9-20(17(2)14-16)24-22(26)21-15-19(18-6-4-3-5-7-18)23(28-21)25-10-12-27-13-11-25/h3-9,14-15H,10-13H2,1-2H3,(H,24,26)
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n/an/a 1.00E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha1 nAChR in human TE671 cells

Bioorg Med Chem Lett 20: 4561-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.014
BindingDB Entry DOI: 10.7270/Q2959JSG
More data for this
Ligand-Target Pair
Acetylcholine receptor subunit alpha/beta/delta/gamma


(Homo sapiens (Human))		BDBM50473035
PNG
(CHEMBL342483)
Show SMILES CCCC(=O)N[C@@H](Cc1cccc(O)c1)C(=O)NCCCCCCCCCCCCN
Show InChI InChI=1S/C25H43N3O3/c1-2-14-24(30)28-23(20-21-15-13-16-22(29)19-21)25(31)27-18-12-10-8-6-4-3-5-7-9-11-17-26/h13,15-16,19,23,29H,2-12,14,17-18,20,26H2,1H3,(H,27,31)(H,28,30)/t23-/m0/s1
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n/an/a 2.43E+3n/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Antagonist activity at human muscle-type nAChR (embryonic muscle) expressed in TE671 cells; (end value).

J Med Chem 43: 4526-33 (2000)


Article DOI: 10.1021/jm000220n
BindingDB Entry DOI: 10.7270/Q2F192F2
More data for this
Ligand-Target Pair
Acetylcholine receptor subunit alpha


(Homo sapiens (Human))		BDBM50413330
PNG
(CHEMBL459689)
Show SMILES CN1C(CC(CN2CCCCC2)C1=O)C#Cc1ccc2n(C)ccc2c1
Show InChI InChI=1S/C22H27N3O/c1-23-13-10-18-14-17(7-9-21(18)23)6-8-20-15-19(22(26)24(20)2)16-25-11-4-3-5-12-25/h7,9-10,13-14,19-20H,3-5,11-12,15-16H2,1-2H3
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n/an/a 3.98E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha-1-beta-1-gamma-delta nAChR expressed in human TE671 cells by calcium influx assay

Bioorg Med Chem Lett 19: 1287-91 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.073
BindingDB Entry DOI: 10.7270/Q2GM875B
More data for this
Ligand-Target Pair
Acetylcholine receptor subunit alpha


(Homo sapiens (Human))		BDBM50381980
PNG
(CHEMBL2022495)
Show SMILES COc1cc(NC(=O)c2ccccc2F)ccc1-c1nnc(NCCCN2CCCCC2)o1
Show InChI InChI=1S/C24H28FN5O3/c1-32-21-16-17(27-22(31)18-8-3-4-9-20(18)25)10-11-19(21)23-28-29-24(33-23)26-12-7-15-30-13-5-2-6-14-30/h3-4,8-11,16H,2,5-7,12-15H2,1H3,(H,26,29)(H,27,31)
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n/an/a 3.98E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at alpha1 nAChR

Bioorg Med Chem Lett 22: 3560-3 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.040
BindingDB Entry DOI: 10.7270/Q21V5FZC
More data for this
Ligand-Target Pair
Acetylcholine receptor subunit alpha


(Homo sapiens (Human))		BDBM50352784
PNG
(CHEMBL1823380)
Show SMILES CCc1cc(on1)C1=CCC[C@@H]2CC[C@H]1N2 |r,t:8|
Show InChI InChI=1S/C13H18N2O/c1-2-9-8-13(16-15-9)11-5-3-4-10-6-7-12(11)14-10/h5,8,10,12,14H,2-4,6-7H2,1H3/t10-,12-/m1/s1
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n/an/a 4.20E+3n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Binding affinity to alpha1 nAchR expressed in human TE671 cells

Bioorg Med Chem Lett 21: 5423-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.127
BindingDB Entry DOI: 10.7270/Q2DR2VWP
More data for this
Ligand-Target Pair
Acetylcholine receptor subunit alpha/beta/delta/gamma


(Homo sapiens (Human))		BDBM50473033
PNG
(CHEMBL342258)
Show SMILES NCCCOCCCCOCCCNC(=O)[C@H](Cc1cccc(O)c1)NC(=O)CC1CCCCC1
Show InChI InChI=1S/C27H45N3O5/c28-13-7-17-34-15-4-5-16-35-18-8-14-29-27(33)25(20-23-11-6-12-24(31)19-23)30-26(32)21-22-9-2-1-3-10-22/h6,11-12,19,22,25,31H,1-5,7-10,13-18,20-21,28H2,(H,29,33)(H,30,32)/t25-/m0/s1
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n/an/a 4.47E+3n/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Antagonist activity at human muscle-type nAChR (embryonic muscle) expressed in TE671 cells; (end value).

J Med Chem 43: 4526-33 (2000)


Article DOI: 10.1021/jm000220n
BindingDB Entry DOI: 10.7270/Q2F192F2
More data for this
Ligand-Target Pair
Acetylcholine receptor subunit alpha/beta/delta/gamma


(Homo sapiens (Human))		BDBM50473023
PNG
(CHEMBL342235)
Show SMILES NCCCNCCCCNCCCNC(=O)[C@H](Cc1cccc(O)c1)NC(=O)CC1CCCCC1
Show InChI InChI=1S/C27H47N5O3/c28-13-7-16-29-14-4-5-15-30-17-8-18-31-27(35)25(20-23-11-6-12-24(33)19-23)32-26(34)21-22-9-2-1-3-10-22/h6,11-12,19,22,25,29-30,33H,1-5,7-10,13-18,20-21,28H2,(H,31,35)(H,32,34)/t25-/m0/s1
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n/an/a 5.33E+3n/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Antagonist activity at human muscle-type nAChR (embryonic muscle) expressed in TE671 cells; (end value).

J Med Chem 43: 4526-33 (2000)


Article DOI: 10.1021/jm000220n
BindingDB Entry DOI: 10.7270/Q2F192F2
More data for this
Ligand-Target Pair
Acetylcholine receptor subunit alpha


(Homo sapiens (Human))		BDBM50352785
PNG
(CHEMBL1823381)
Show SMILES CC(C)c1cc(on1)C1=CCC[C@@H]2CC[C@H]1N2 |r,t:9|
Show InChI InChI=1S/C14H20N2O/c1-9(2)13-8-14(17-16-13)11-5-3-4-10-6-7-12(11)15-10/h5,8-10,12,15H,3-4,6-7H2,1-2H3/t10-,12-/m1/s1
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n/an/a 5.50E+3n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Binding affinity to alpha1 nAchR expressed in human TE671 cells

Bioorg Med Chem Lett 21: 5423-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.127
BindingDB Entry DOI: 10.7270/Q2DR2VWP
More data for this
Ligand-Target Pair
Acetylcholine receptor subunit alpha/beta/delta/gamma


(Homo sapiens (Human))		BDBM50473029
PNG
(CHEMBL140056)
Show SMILES NCCCOCCCCOCCCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CC1CCCCC1
Show InChI InChI=1S/C27H45N3O5/c28-14-6-18-34-16-4-5-17-35-19-7-15-29-27(33)25(20-23-10-12-24(31)13-11-23)30-26(32)21-22-8-2-1-3-9-22/h10-13,22,25,31H,1-9,14-21,28H2,(H,29,33)(H,30,32)/t25-/m0/s1
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n/an/a 5.69E+3n/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Antagonist activity at human muscle-type nAChR (embryonic muscle) expressed in TE671 cells; (end value).

J Med Chem 43: 4526-33 (2000)


Article DOI: 10.1021/jm000220n
BindingDB Entry DOI: 10.7270/Q2F192F2
More data for this
Ligand-Target Pair
Acetylcholine receptor subunit alpha/beta/delta/gamma


(Homo sapiens (Human))		BDBM50322520
PNG
((2S,3S)-2-Biphenyl-4-yl-3,5,5-trimethylmorpholin-2...)
Show SMILES C[C@@H]1NC(C)(C)CO[C@@]1(O)c1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C19H23NO2/c1-14-19(21,22-13-18(2,3)20-14)17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-12,14,20-21H,13H2,1-3H3/t14-,19+/m0/s1
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n/an/a 5.90E+3n/an/an/an/an/an/a



Barrow Neurological Institute

Curated by ChEMBL


Assay Description
Antagonist activity at alpha-1-beta-1-gamma-delta nicotinic receptor in human TE671 cells assessed as inhibition varbamylcholine-induced radiolabeled...

J Med Chem 53: 4731-48 (2010)


Article DOI: 10.1021/jm1003232
BindingDB Entry DOI: 10.7270/Q2CF9Q9N
More data for this
Ligand-Target Pair
Acetylcholine receptor subunit alpha


(Homo sapiens (Human))		BDBM50472282
PNG
(descyanothiacloprid)
Show SMILES Clc1ccc(CN2CCSC2=N)cn1
Show InChI InChI=1S/C9H10ClN3S/c10-8-2-1-7(5-12-8)6-13-3-4-14-9(13)11/h1-2,5,11H,3-4,6H2
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n/an/a 6.00E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of [3H]alpha-BGT binding to alpha1 nicotinic acetylcholine receptor in Homo sapiens (human) TE671 cells co-expressing gammaalpha1deltabeta...

J Agric Food Chem 48: 6016-24 (2000)


Article DOI: 10.1021/jf000873c
BindingDB Entry DOI: 10.7270/Q27H1NGG
More data for this
Ligand-Target Pair
Acetylcholine receptor subunit alpha


(Homo sapiens (Human))		BDBM50382048
PNG
(CHEMBL2022739)
Show SMILES Fc1ccccc1C(=O)Nc1ccc(-c2nnc(NCCCCN3CCOCC3)o2)c(F)c1
Show InChI InChI=1S/C23H25F2N5O3/c24-19-6-2-1-5-17(19)21(31)27-16-7-8-18(20(25)15-16)22-28-29-23(33-22)26-9-3-4-10-30-11-13-32-14-12-30/h1-2,5-8,15H,3-4,9-14H2,(H,26,29)(H,27,31)
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n/an/a 6.31E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at alpha1 nAChR

Bioorg Med Chem Lett 22: 3531-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.062
BindingDB Entry DOI: 10.7270/Q2SB46SH
More data for this
Ligand-Target Pair
Acetylcholine receptor subunit alpha


(Homo sapiens (Human))		BDBM50413332
PNG
(CHEMBL503427)
Show SMILES CN1C(CC(CN2CCCCC2)C1=O)C#Cc1ccc2OCCc2c1
Show InChI InChI=1S/C21H26N2O2/c1-22-19(7-5-16-6-8-20-17(13-16)9-12-25-20)14-18(21(22)24)15-23-10-3-2-4-11-23/h6,8,13,18-19H,2-4,9-12,14-15H2,1H3
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n/an/a 6.31E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha-1-beta-1-gamma-delta nAChR expressed in human TE671 cells by calcium influx assay

Bioorg Med Chem Lett 19: 1287-91 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.073
BindingDB Entry DOI: 10.7270/Q2GM875B
More data for this
Ligand-Target Pair
Acetylcholine receptor subunit alpha/beta/delta/gamma


(Homo sapiens (Human))		BDBM50322515
PNG
((2S,3S)-2-(Naphthalen-1-yl)-3,5,5-trimethylmorphol...)
Show SMILES C[C@@H]1NC(C)(C)CO[C@@]1(O)c1cccc(c1)-c1cccc2ccccc12 |r|
Show InChI InChI=1S/C23H25NO2/c1-16-23(25,26-15-22(2,3)24-16)19-11-6-10-18(14-19)21-13-7-9-17-8-4-5-12-20(17)21/h4-14,16,24-25H,15H2,1-3H3/t16-,23+/m0/s1
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n/an/a 6.60E+3n/an/an/an/an/an/a



Barrow Neurological Institute

Curated by ChEMBL


Assay Description
Antagonist activity at alpha-1-beta-1-gamma-delta nicotinic receptor in human TE671 cells assessed as inhibition varbamylcholine-induced radiolabeled...

J Med Chem 53: 4731-48 (2010)


Article DOI: 10.1021/jm1003232
BindingDB Entry DOI: 10.7270/Q2CF9Q9N
More data for this
Ligand-Target Pair
Acetylcholine receptor subunit alpha/beta/delta/gamma


(Homo sapiens (Human))		BDBM50322516
PNG
((+/-)2-(3,5-Dichlorophenyl)-3,5,5-trimethylmorphol...)
Show SMILES CC1NC(C)(C)COC1(O)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C13H17Cl2NO2/c1-8-13(17,18-7-12(2,3)16-8)9-4-10(14)6-11(15)5-9/h4-6,8,16-17H,7H2,1-3H3
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n/an/a 7.20E+3n/an/an/an/an/an/a



Barrow Neurological Institute

Curated by ChEMBL


Assay Description
Antagonist activity at alpha-1-beta-1-gamma-delta nicotinic receptor in human TE671 cells assessed as inhibition varbamylcholine-induced radiolabeled...

J Med Chem 53: 4731-48 (2010)


Article DOI: 10.1021/jm1003232
BindingDB Entry DOI: 10.7270/Q2CF9Q9N
More data for this
Ligand-Target Pair
Acetylcholine receptor subunit alpha/beta/delta/gamma


(Homo sapiens (Human))		BDBM50322518
PNG
((+/-)2-(3,4-Dichlorophenyl)-3,5,5-trimethylmorphol...)
Show SMILES CC1NC(C)(C)COC1(O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C13H17Cl2NO2/c1-8-13(17,18-7-12(2,3)16-8)9-4-5-10(14)11(15)6-9/h4-6,8,16-17H,7H2,1-3H3
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n/an/a 7.20E+3n/an/an/an/an/an/a



Barrow Neurological Institute

Curated by ChEMBL


Assay Description
Antagonist activity at alpha-1-beta-1-gamma-delta nicotinic receptor in human TE671 cells assessed as inhibition varbamylcholine-induced radiolabeled...

J Med Chem 53: 4731-48 (2010)


Article DOI: 10.1021/jm1003232
BindingDB Entry DOI: 10.7270/Q2CF9Q9N
More data for this
Ligand-Target Pair
Acetylcholine receptor subunit alpha/beta/delta/gamma


(Homo sapiens (Human))		BDBM50322532
PNG
((2S,3S)-2-(3-Chlorophenyl)-3,5,5-trimethylmorpholi...)
Show SMILES C[C@@H]1NC(C)(C)CO[C@@]1(O)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C13H18ClNO2/c1-9-13(16,17-8-12(2,3)15-9)10-5-4-6-11(14)7-10/h4-7,9,15-16H,8H2,1-3H3/t9-,13+/m0/s1
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n/an/a 7.60E+3n/an/an/an/an/an/a



Barrow Neurological Institute

Curated by ChEMBL


Assay Description
Antagonist activity at alpha-1-beta-1-gamma-delta nicotinic receptor in human TE671 cells assessed as inhibition varbamylcholine-induced radiolabeled...

J Med Chem 53: 4731-48 (2010)


Article DOI: 10.1021/jm1003232
BindingDB Entry DOI: 10.7270/Q2CF9Q9N
More data for this
Ligand-Target Pair
Acetylcholine receptor subunit alpha


(Homo sapiens (Human))		BDBM50352786
PNG
(CHEMBL1823382)
Show SMILES C1C[C@H]2N[C@@H]1CCC=C2c1cc(no1)-c1ccccc1 |r,c:8|
Show InChI InChI=1S/C17H18N2O/c1-2-5-12(6-3-1)16-11-17(20-19-16)14-8-4-7-13-9-10-15(14)18-13/h1-3,5-6,8,11,13,15,18H,4,7,9-10H2/t13-,15-/m1/s1
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n/an/a 7.80E+3n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Binding affinity to alpha1 nAchR expressed in human TE671 cells

Bioorg Med Chem Lett 21: 5423-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.127
BindingDB Entry DOI: 10.7270/Q2DR2VWP
More data for this
Ligand-Target Pair
Acetylcholine receptor subunit alpha/beta/delta/gamma


(Homo sapiens (Human))		BDBM50048392
PNG
(2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one...)
Show SMILES CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C13H18ClNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,15H,1-4H3
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n/an/a 7.90E+3n/an/an/an/an/an/a



Barrow Neurological Institute

Curated by ChEMBL


Assay Description
Antagonist activity at alpha-1-beta-1-gamma-delta nicotinic receptor in human TE671 cells assessed as inhibition varbamylcholine-induced radiolabeled...

J Med Chem 53: 4731-48 (2010)


Article DOI: 10.1021/jm1003232
BindingDB Entry DOI: 10.7270/Q2CF9Q9N
More data for this
Ligand-Target Pair
Acetylcholine receptor subunit alpha


(Homo sapiens (Human))		BDBM50078044
PNG
(3-(6-Chloro-pyridin-3-ylmethyl)-3H-thiazol-(2E)-yl...)
Show SMILES Clc1ccc(Cn2ccsc2=N)cn1
Show InChI InChI=1S/C9H8ClN3S/c10-8-2-1-7(5-12-8)6-13-3-4-14-9(13)11/h1-5,11H,6H2
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n/an/a 8.00E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of [3H]alpha-BGT binding to alpha1 nicotinic acetylcholine receptor in Homo sapiens (human) TE671 cells co-expressing gammaalpha1deltabeta...

J Agric Food Chem 48: 6016-24 (2000)


Article DOI: 10.1021/jf000873c
BindingDB Entry DOI: 10.7270/Q27H1NGG
More data for this
Ligand-Target Pair
Acetylcholine receptor subunit alpha/beta/delta/gamma


(Homo sapiens (Human))		BDBM50473036
PNG
(CHEMBL141037)
Show SMILES NCCCCCCCCCCCCNC(=O)[C@H](Cc1cccc(O)c1)NC(=O)Cc1ccccc1
Show InChI InChI=1S/C29H43N3O3/c30-19-12-7-5-3-1-2-4-6-8-13-20-31-29(35)27(22-25-17-14-18-26(33)21-25)32-28(34)23-24-15-10-9-11-16-24/h9-11,14-18,21,27,33H,1-8,12-13,19-20,22-23,30H2,(H,31,35)(H,32,34)/t27-/m0/s1
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n/an/a 8.05E+3n/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Antagonist activity at human muscle-type nAChR (embryonic muscle) expressed in TE671 cells; (end value).

J Med Chem 43: 4526-33 (2000)


Article DOI: 10.1021/jm000220n
BindingDB Entry DOI: 10.7270/Q2F192F2
More data for this
Ligand-Target Pair
Acetylcholine receptor subunit alpha/beta/delta/gamma


(Homo sapiens (Human))		BDBM50210335
PNG
(CHEMBL3898434)
Show SMILES [H][C@@]1(CCOC)C[C@@]1([H])c1cncc(c1)N1CCCNCC1 |r|
Show InChI InChI=1S/C16H25N3O/c1-20-8-3-13-10-16(13)14-9-15(12-18-11-14)19-6-2-4-17-5-7-19/h9,11-13,16-17H,2-8,10H2,1H3/t13-,16-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Antagonist activity at alpha1beta1gammadelta nAChR in human TE671/RD cells assessed as reduction in carbamylcholine induced 86Rb+ efflux preincubated...

Eur J Med Chem 124: 689-697 (2016)


Article DOI: 10.1016/j.ejmech.2016.09.016
BindingDB Entry DOI: 10.7270/Q2H41TDB
More data for this
Ligand-Target Pair
Acetylcholine receptor subunit alpha/beta/delta/gamma


(Homo sapiens (Human))		BDBM50210333
PNG
(CHEMBL3908556)
Show SMILES CN1CCCN(CC1)c1cncc(c1)-c1cc(CCO)no1
Show InChI InChI=1S/C16H22N4O2/c1-19-4-2-5-20(7-6-19)15-9-13(11-17-12-15)16-10-14(3-8-21)18-22-16/h9-12,21H,2-8H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Antagonist activity at alpha1beta1gammadelta nAChR in human TE671/RD cells assessed as reduction in carbamylcholine induced 86Rb+ efflux preincubated...

Eur J Med Chem 124: 689-697 (2016)


Article DOI: 10.1016/j.ejmech.2016.09.016
BindingDB Entry DOI: 10.7270/Q2H41TDB
More data for this
Ligand-Target Pair
Acetylcholine receptor subunit alpha/beta/delta/gamma


(Homo sapiens (Human))		BDBM50210338
PNG
(CHEMBL3926480)
Show SMILES [H][C@]1(CCOC)C[C@]1([H])c1cncc(c1)N1C[C@]2([H])C[C@@]1([H])CN2 |r|
Show InChI InChI=1S/C16H23N3O/c1-20-3-2-11-5-16(11)12-4-14(8-17-7-12)19-10-13-6-15(19)9-18-13/h4,7-8,11,13,15-16,18H,2-3,5-6,9-10H2,1H3/t11-,13-,15-,16-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Antagonist activity at alpha1beta1gammadelta nAChR in human TE671/RD cells assessed as reduction in carbamylcholine induced 86Rb+ efflux preincubated...

Eur J Med Chem 124: 689-697 (2016)


Article DOI: 10.1016/j.ejmech.2016.09.016
BindingDB Entry DOI: 10.7270/Q2H41TDB
More data for this
Ligand-Target Pair
Acetylcholine receptor subunit alpha/beta/delta/gamma


(Homo sapiens (Human))		BDBM50210337
PNG
(CHEMBL3970672)
Show SMILES OCCc1cc(on1)-c1cncc(c1)N1CCCNCC1
Show InChI InChI=1S/C15H20N4O2/c20-7-2-13-9-15(21-18-13)12-8-14(11-17-10-12)19-5-1-3-16-4-6-19/h8-11,16,20H,1-7H2
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Antagonist activity at alpha1beta1gammadelta nAChR in human TE671/RD cells assessed as reduction in carbamylcholine induced 86Rb+ efflux preincubated...

Eur J Med Chem 124: 689-697 (2016)


Article DOI: 10.1016/j.ejmech.2016.09.016
BindingDB Entry DOI: 10.7270/Q2H41TDB
More data for this
Ligand-Target Pair
Acetylcholine receptor subunit alpha/beta/delta/gamma


(Homo sapiens (Human))		BDBM50210336
PNG
(CHEMBL3899499)
Show SMILES [H][C@@]1(CCOC)C[C@@]1([H])c1cncc(c1)N1C[C@]2([H])C[C@@]1([H])CN2 |r|
Show InChI InChI=1S/C16H23N3O/c1-20-3-2-11-5-16(11)12-4-14(8-17-7-12)19-10-13-6-15(19)9-18-13/h4,7-8,11,13,15-16,18H,2-3,5-6,9-10H2,1H3/t11-,13+,15+,16-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Antagonist activity at alpha1beta1gammadelta nAChR in human TE671/RD cells assessed as reduction in carbamylcholine induced 86Rb+ efflux preincubated...

Eur J Med Chem 124: 689-697 (2016)


Article DOI: 10.1016/j.ejmech.2016.09.016
BindingDB Entry DOI: 10.7270/Q2H41TDB
More data for this
Ligand-Target Pair
Acetylcholine receptor subunit alpha/beta/delta/gamma


(Homo sapiens (Human))		BDBM50210334
PNG
(CHEMBL3948977)
Show SMILES [H][C@]1(CCOC)C[C@]1([H])c1cncc(c1)N1CCCNCC1 |r|
Show InChI InChI=1S/C16H25N3O/c1-20-8-3-13-10-16(13)14-9-15(12-18-11-14)19-6-2-4-17-5-7-19/h9,11-13,16-17H,2-8,10H2,1H3/t13-,16-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Antagonist activity at alpha1beta1gammadelta nAChR in human TE671/RD cells assessed as reduction in carbamylcholine induced 86Rb+ efflux preincubated...

Eur J Med Chem 124: 689-697 (2016)


Article DOI: 10.1016/j.ejmech.2016.09.016
BindingDB Entry DOI: 10.7270/Q2H41TDB
More data for this
Ligand-Target Pair
Acetylcholine receptor subunit alpha/beta/delta/gamma


(Homo sapiens (Human))		BDBM50210332
PNG
(CHEMBL3889475)
Show SMILES [H][C@]1(CCOC)C[C@]1([H])c1cncc(c1)N1CCCN(C)CC1 |r|
Show InChI InChI=1S/C17H27N3O/c1-19-5-3-6-20(8-7-19)16-10-15(12-18-13-16)17-11-14(17)4-9-21-2/h10,12-14,17H,3-9,11H2,1-2H3/t14-,17-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Antagonist activity at alpha1beta1gammadelta nAChR in human TE671/RD cells assessed as reduction in carbamylcholine induced 86Rb+ efflux preincubated...

Eur J Med Chem 124: 689-697 (2016)


Article DOI: 10.1016/j.ejmech.2016.09.016
BindingDB Entry DOI: 10.7270/Q2H41TDB
More data for this
Ligand-Target Pair
Acetylcholine receptor subunit alpha


(Homo sapiens (Human))		BDBM50352787
PNG
(CHEMBL1823383)
Show SMILES CCOC(=O)c1cc(on1)C1=CCC[C@@H]2CC[C@H]1N2 |r,t:11|
Show InChI InChI=1S/C14H18N2O3/c1-2-18-14(17)12-8-13(19-16-12)10-5-3-4-9-6-7-11(10)15-9/h5,8-9,11,15H,2-4,6-7H2,1H3/t9-,11-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Binding affinity to alpha1 nAchR expressed in human TE671 cells

Bioorg Med Chem Lett 21: 5423-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.127
BindingDB Entry DOI: 10.7270/Q2DR2VWP
More data for this
Ligand-Target Pair
Acetylcholine receptor subunit alpha


(Homo sapiens (Human))		BDBM50352790
PNG
(CHEMBL1823386)
Show SMILES Cc1noc2CC[C@@H]3CC[C@@H](N3)c12 |r|
Show InChI InChI=1S/C10H14N2O/c1-6-10-8-4-2-7(11-8)3-5-9(10)13-12-6/h7-8,11H,2-5H2,1H3/t7-,8+/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Binding affinity to alpha1 nAchR expressed in human TE671 cells

Bioorg Med Chem Lett 21: 5423-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.127
BindingDB Entry DOI: 10.7270/Q2DR2VWP
More data for this
Ligand-Target Pair
Acetylcholine receptor subunit alpha


(Homo sapiens (Human))		BDBM50352789
PNG
(CHEMBL1823385)
Show SMILES Cc1cc(on1)[C@]1(O)CCC[C@@H]2CC[C@H]1N2 |r|
Show InChI InChI=1S/C12H18N2O2/c1-8-7-11(16-14-8)12(15)6-2-3-9-4-5-10(12)13-9/h7,9-10,13,15H,2-6H2,1H3/t9-,10-,12+/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Binding affinity to alpha1 nAchR expressed in human TE671 cells

Bioorg Med Chem Lett 21: 5423-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.127
BindingDB Entry DOI: 10.7270/Q2DR2VWP
More data for this
Ligand-Target Pair
Acetylcholine receptor subunit alpha


(Homo sapiens (Human))		BDBM50352788
PNG
(CHEMBL1823384)
Show SMILES Cc1cc(on1)[C@@]1(O)CCC[C@@H]2CC[C@H]1N2 |r|
Show InChI InChI=1S/C12H18N2O2/c1-8-7-11(16-14-8)12(15)6-2-3-9-4-5-10(12)13-9/h7,9-10,13,15H,2-6H2,1H3/t9-,10-,12-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Binding affinity to alpha1 nAchR expressed in human TE671 cells

Bioorg Med Chem Lett 21: 5423-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.127
BindingDB Entry DOI: 10.7270/Q2DR2VWP
More data for this
Ligand-Target Pair
Acetylcholine receptor subunit alpha


(Homo sapiens (Human))		BDBM50352791
PNG
(CHEMBL1823387)
Show SMILES CCOC(=O)c1noc2CC[C@@H]3CC[C@@H](N3)c12 |r|
Show InChI InChI=1S/C12H16N2O3/c1-2-16-12(15)11-10-8-5-3-7(13-8)4-6-9(10)17-14-11/h7-8,13H,2-6H2,1H3/t7-,8+/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Binding affinity to alpha1 nAchR expressed in human TE671 cells

Bioorg Med Chem Lett 21: 5423-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.127
BindingDB Entry DOI: 10.7270/Q2DR2VWP
More data for this
Ligand-Target Pair
Acetylcholine receptor subunit alpha/beta/delta/gamma


(Homo sapiens (Human))		BDBM50322512
PNG
((2S,3S)-2-(3-Chlorophenyl)-5,5-dimethyl-3-propyl-m...)
Show SMILES CCC[C@@H]1NC(C)(C)CO[C@@]1(O)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C15H22ClNO2/c1-4-6-13-15(18,19-10-14(2,3)17-13)11-7-5-8-12(16)9-11/h5,7-9,13,17-18H,4,6,10H2,1-3H3/t13-,15-/m0/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



Barrow Neurological Institute

Curated by ChEMBL


Assay Description
Antagonist activity at alpha-1-beta-1-gamma-delta nicotinic receptor in human TE671 cells assessed as inhibition varbamylcholine-induced radiolabeled...

J Med Chem 53: 4731-48 (2010)


Article DOI: 10.1021/jm1003232
BindingDB Entry DOI: 10.7270/Q2CF9Q9N
More data for this
Ligand-Target Pair
Acetylcholine receptor subunit alpha/beta/delta/gamma


(Homo sapiens (Human))		BDBM50473031
PNG
(CHEMBL140652)
Show SMILES NCCCNCCCCNCCCNC(=O)[C@H](Cc1cccc(O)c1)NC(=O)Cc1ccccc1
Show InChI InChI=1S/C27H41N5O3/c28-13-7-16-29-14-4-5-15-30-17-8-18-31-27(35)25(20-23-11-6-12-24(33)19-23)32-26(34)21-22-9-2-1-3-10-22/h1-3,6,9-12,19,25,29-30,33H,4-5,7-8,13-18,20-21,28H2,(H,31,35)(H,32,34)/t25-/m0/s1
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n/an/a 1.01E+4n/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Antagonist activity at human muscle-type nAChR (embryonic muscle) expressed in TE671 cells; (end value).

J Med Chem 43: 4526-33 (2000)


Article DOI: 10.1021/jm000220n
BindingDB Entry DOI: 10.7270/Q2F192F2
More data for this
Ligand-Target Pair
Acetylcholine receptor subunit alpha/beta/delta/gamma


(Homo sapiens (Human))		BDBM50473026
PNG
(CHEMBL141954)
Show SMILES CCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCOCCCCOCCCN
Show InChI InChI=1S/C23H39N3O5/c1-2-7-22(28)26-21(18-19-8-10-20(27)11-9-19)23(29)25-13-6-17-31-15-4-3-14-30-16-5-12-24/h8-11,21,27H,2-7,12-18,24H2,1H3,(H,25,29)(H,26,28)/t21-/m0/s1
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n/an/a 1.09E+4n/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Antagonist activity at human muscle-type nAChR (embryonic muscle) expressed in TE671 cells; (end value).

J Med Chem 43: 4526-33 (2000)


Article DOI: 10.1021/jm000220n
BindingDB Entry DOI: 10.7270/Q2F192F2
More data for this
Ligand-Target Pair
Acetylcholine receptor subunit alpha/beta/delta/gamma


(Homo sapiens (Human))		BDBM50322514
PNG
((2S,3S)-2-(Naphthalen-2-yl)-3,5,5-trimethylmorphol...)
Show SMILES C[C@@H]1NC(C)(C)CO[C@@]1(O)c1cccc(c1)-c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C23H25NO2/c1-16-23(25,26-15-22(2,3)24-16)21-10-6-9-19(14-21)20-12-11-17-7-4-5-8-18(17)13-20/h4-14,16,24-25H,15H2,1-3H3/t16-,23+/m0/s1
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n/an/a 1.10E+4n/an/an/an/an/an/a



Barrow Neurological Institute

Curated by ChEMBL


Assay Description
Antagonist activity at alpha-1-beta-1-gamma-delta nicotinic receptor in human TE671 cells assessed as inhibition varbamylcholine-induced radiolabeled...

J Med Chem 53: 4731-48 (2010)


Article DOI: 10.1021/jm1003232
BindingDB Entry DOI: 10.7270/Q2CF9Q9N
More data for this
Ligand-Target Pair
Acetylcholine receptor subunit alpha


(Homo sapiens (Human))		BDBM50078048
PNG
(1-(6-Chloro-pyridin-3-ylmethyl)-imidazolidin-(2Z)-...)
Show SMILES NC1=NCCN1Cc1ccc(Cl)nc1 |t:1|
Show InChI InChI=1S/C9H11ClN4/c10-8-2-1-7(5-13-8)6-14-4-3-12-9(14)11/h1-2,5H,3-4,6H2,(H2,11,12)
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n/an/a 1.10E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of [3H]alpha-BGT binding to alpha1 nicotinic acetylcholine receptor in Homo sapiens (human) TE671 cells co-expressing gammaalpha1deltabeta...

J Agric Food Chem 48: 6016-24 (2000)


Article DOI: 10.1021/jf000873c
BindingDB Entry DOI: 10.7270/Q27H1NGG
More data for this
Ligand-Target Pair
Acetylcholine receptor subunit alpha


(Homo sapiens (Human))		BDBM50310000
PNG
(4-((1H-1,2,4-Triazol-1-yl)methyl)-5-(4-bromophenyl...)
Show SMILES Cc1cc(Br)ccc1CNC(=O)c1nn(c(c1Cn1cncn1)-c1ccc(Br)cc1)-c1ccccc1Cl
Show InChI InChI=1S/C27H21Br2ClN6O/c1-17-12-21(29)11-8-19(17)13-32-27(37)25-22(14-35-16-31-15-33-35)26(18-6-9-20(28)10-7-18)36(34-25)24-5-3-2-4-23(24)30/h2-12,15-16H,13-14H2,1H3,(H,32,37)
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n/an/a 1.13E+4n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of nAChR alpha1 (unknown origin)

ACS Med Chem Lett 9: 446-451 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00030
BindingDB Entry DOI: 10.7270/Q2Z89FZD
More data for this
Ligand-Target Pair
Acetylcholine receptor subunit alpha/beta/delta/gamma


(Homo sapiens (Human))		BDBM50094298
PNG
(CHEMBL16117 | N-[(S)-1-{3-[4-(3-Amino-propylamino)...)
Show SMILES CCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCNCCCCNCCCN
Show InChI InChI=1S/C23H41N5O3/c1-2-7-22(30)28-21(18-19-8-10-20(29)11-9-19)23(31)27-17-6-16-26-14-4-3-13-25-15-5-12-24/h8-11,21,25-26,29H,2-7,12-18,24H2,1H3,(H,27,31)(H,28,30)/t21-/m0/s1
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n/an/a 1.18E+4n/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Antagonist activity at human muscle-type nAChR (embryonic muscle) expressed in TE671 cells; (end value).

J Med Chem 43: 4526-33 (2000)


Article DOI: 10.1021/jm000220n
BindingDB Entry DOI: 10.7270/Q2F192F2
More data for this
Ligand-Target Pair
Acetylcholine receptor subunit alpha


(Homo sapiens (Human))		BDBM50550026
PNG
(CHEMBL4786690)
Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)[C@@H](C)NC(=O)c1ccc(Cl)cc1 |r,wU:4.7,18.21,wD:1.0,(55.56,-25.24,;55.58,-26.78,;54.24,-26.01,;52.9,-26.78,;52.91,-28.32,;54.25,-29.09,;55.57,-28.32,;51.57,-29.08,;50.24,-28.32,;48.91,-29.1,;48.92,-30.63,;50.25,-31.38,;50.25,-32.93,;51.58,-33.7,;52.92,-32.93,;54.25,-33.69,;52.91,-31.38,;51.58,-30.61,;56.91,-26.01,;56.91,-24.47,;58.24,-26.78,;58.24,-28.32,;56.9,-29.08,;59.58,-29.09,;59.57,-30.63,;60.9,-31.4,;62.24,-30.63,;63.57,-31.4,;62.23,-29.09,;60.9,-28.32,)|
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n/an/a 1.23E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of alpha1 nAChR (unknown origin)

Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00668
BindingDB Entry DOI: 10.7270/Q2TM7FR5
More data for this
Ligand-Target Pair
Acetylcholine receptor subunit alpha


(Homo sapiens (Human))		BDBM50247983
PNG
(CHEMBL454407 | cis-1-methyl-5-(phenylethynyl)-3-(p...)
Show SMILES CN1[C@@H](C[C@H](CN2CCCCC2)C1=O)C#Cc1ccccc1 |r|
Show InChI InChI=1S/C19H24N2O/c1-20-18(11-10-16-8-4-2-5-9-16)14-17(19(20)22)15-21-12-6-3-7-13-21/h2,4-5,8-9,17-18H,3,6-7,12-15H2,1H3/t17-,18-/m1/s1
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n/an/a 1.26E+4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha-1-beta-1-gamma-delta nAChR expressed in human TE671 cells by calcium influx assay

Bioorg Med Chem Lett 19: 1287-91 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.073
BindingDB Entry DOI: 10.7270/Q2GM875B
More data for this
Ligand-Target Pair
Acetylcholine receptor subunit alpha/beta/delta/gamma


(Homo sapiens (Human))		BDBM50473034
PNG
(CHEMBL139085)
Show SMILES NCCCOCCCCOCCCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)Cc1ccccc1
Show InChI InChI=1S/C27H39N3O5/c28-14-6-18-34-16-4-5-17-35-19-7-15-29-27(33)25(20-23-10-12-24(31)13-11-23)30-26(32)21-22-8-2-1-3-9-22/h1-3,8-13,25,31H,4-7,14-21,28H2,(H,29,33)(H,30,32)/t25-/m0/s1
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n/an/a 1.26E+4n/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Antagonist activity at human muscle-type nAChR (embryonic muscle) expressed in TE671 cells; (end value).

J Med Chem 43: 4526-33 (2000)


Article DOI: 10.1021/jm000220n
BindingDB Entry DOI: 10.7270/Q2F192F2
More data for this
Ligand-Target Pair
Acetylcholine receptor subunit alpha/beta/delta/gamma


(Homo sapiens (Human))		BDBM50473027
PNG
(CHEMBL137909)
Show SMILES NCCCNCCCCNCCCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CC1CCCCC1
Show InChI InChI=1S/C27H47N5O3/c28-14-6-17-29-15-4-5-16-30-18-7-19-31-27(35)25(20-23-10-12-24(33)13-11-23)32-26(34)21-22-8-2-1-3-9-22/h10-13,22,25,29-30,33H,1-9,14-21,28H2,(H,31,35)(H,32,34)/t25-/m0/s1
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n/an/a 1.32E+4n/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Antagonist activity at human muscle-type nAChR (embryonic muscle) expressed in TE671 cells; (end value).

J Med Chem 43: 4526-33 (2000)


Article DOI: 10.1021/jm000220n
BindingDB Entry DOI: 10.7270/Q2F192F2
More data for this
Ligand-Target Pair
Acetylcholine receptor subunit alpha/beta/delta/gamma


(Homo sapiens (Human))		BDBM50322513
PNG
((2S,3S)-2-(3-Chlorophenyl)-3-ethyl-5,5-dimethylmor...)
Show SMILES CC[C@@H]1NC(C)(C)CO[C@@]1(O)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C14H20ClNO2/c1-4-12-14(17,18-9-13(2,3)16-12)10-6-5-7-11(15)8-10/h5-8,12,16-17H,4,9H2,1-3H3/t12-,14-/m0/s1
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n/an/a 1.40E+4n/an/an/an/an/an/a



Barrow Neurological Institute

Curated by ChEMBL


Assay Description
Antagonist activity at alpha-1-beta-1-gamma-delta nicotinic receptor in human TE671 cells assessed as inhibition varbamylcholine-induced radiolabeled...

J Med Chem 53: 4731-48 (2010)


Article DOI: 10.1021/jm1003232
BindingDB Entry DOI: 10.7270/Q2CF9Q9N
More data for this
Ligand-Target Pair
Acetylcholine receptor subunit alpha/beta/delta/gamma


(Homo sapiens (Human))		BDBM50094299
PNG
(CHEMBL15998 | N-[(S)-1-(12-Amino-dodecylcarbamoyl)...)
Show SMILES CCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCCCCCCCCCN
Show InChI InChI=1S/C25H43N3O3/c1-2-13-24(30)28-23(20-21-14-16-22(29)17-15-21)25(31)27-19-12-10-8-6-4-3-5-7-9-11-18-26/h14-17,23,29H,2-13,18-20,26H2,1H3,(H,27,31)(H,28,30)/t23-/m0/s1
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n/an/a 1.51E+4n/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Antagonist activity at human muscle-type nAChR (embryonic muscle) expressed in TE671 cells; (peak value).

J Med Chem 43: 4526-33 (2000)


Article DOI: 10.1021/jm000220n
BindingDB Entry DOI: 10.7270/Q2F192F2
More data for this
Ligand-Target Pair
Acetylcholine receptor subunit alpha/beta/delta/gamma


(Homo sapiens (Human))		BDBM50473032
PNG
(CHEMBL140491)
Show SMILES NCCCCCCCCCCCCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)Cc1ccccc1
Show InChI InChI=1S/C29H43N3O3/c30-20-12-7-5-3-1-2-4-6-8-13-21-31-29(35)27(22-25-16-18-26(33)19-17-25)32-28(34)23-24-14-10-9-11-15-24/h9-11,14-19,27,33H,1-8,12-13,20-23,30H2,(H,31,35)(H,32,34)/t27-/m0/s1
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n/an/a 1.72E+4n/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Antagonist activity at human muscle-type nAChR (embryonic muscle) expressed in TE671 cells; (end value).

J Med Chem 43: 4526-33 (2000)


Article DOI: 10.1021/jm000220n
BindingDB Entry DOI: 10.7270/Q2F192F2
More data for this
Ligand-Target Pair
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