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Compile Data Set for Download or QSAR

Found 84 hits Enz. Inhib. hit(s) with Target = 'Nicotinic acetylcholine receptor alpha-1/beta-1/delta/epsilon'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
alpha-1 Nicotinic AChR


(Homo sapiens (Human))
BDBM50045044
PNG
(CHEMBL3341967)
Show SMILES Clc1cncc(c1)N1CCCNCC1
Show InChI InChI=1S/C10H14ClN3/c11-9-6-10(8-13-7-9)14-4-1-2-12-3-5-14/h6-8,12H,1-5H2
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944n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Partial agonist activity at alpha1 nAChR (unknown origin)


J Med Chem 57: 8204-23 (2014)


Article DOI: 10.1021/jm401937a
BindingDB Entry DOI: 10.7270/Q2KW5HPX
More data for this
Ligand-Target Pair
alpha-1 Nicotinic AChR


(Homo sapiens (Human))
BDBM50022784
PNG
((R)-N-methyl-3-phenyl-3-(o-tolyloxy)propan-1-amine...)
Show SMILES CNCCC(Oc1ccccc1C)c1ccccc1
Show InChI InChI=1S/C17H21NO/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3
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1.00E+3n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by PDSP Ki Database




Neuropsychopharmacology 27: 699-711 (2002)


Article DOI: 10.1016/S0893-133X(02)00346-9
BindingDB Entry DOI: 10.7270/Q2GQ6W98
More data for this
Ligand-Target Pair
alpha-1 Nicotinic AChR


(Homo sapiens (Human))
BDBM50170601
PNG
((1R,10S)-9-oxa-4,13-diazatetracyclo[11.2.1.0^{1,10...)
Show SMILES C1C[C@@]23CN1CC[C@@H]2Oc1cccnc1C3
Show InChI InChI=1S/C13H16N2O/c1-2-11-10(14-5-1)8-13-4-7-15(9-13)6-3-12(13)16-11/h1-2,5,12H,3-4,6-9H2/t12-,13+/m0/s1
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6.00E+3n/an/an/an/an/an/an/an/a



Sanofi-Synthelabo Research

Curated by PDSP Ki Database




J Pharmacol Exp Ther 306: 407-20 (2003)


Article DOI: 10.1124/jpet.103.049262
BindingDB Entry DOI: 10.7270/Q2GM85WX
More data for this
Ligand-Target Pair
alpha-1 Nicotinic AChR


(Homo sapiens (Human))
BDBM50010588
PNG
((RS)-3,4-(methylenedioxy)methamphetamine | 1-(1,3-...)
Show SMILES CNC(C)Cc1ccc2OCOc2c1
Show InChI InChI=1S/C11H15NO2/c1-8(12-2)5-9-3-4-10-11(6-9)14-7-13-10/h3-4,6,8,12H,5,7H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Mol Pharmacol 63: 1223-9 (2003)


Article DOI: 10.1124/mol.63.6.1223
BindingDB Entry DOI: 10.7270/Q2FN14SJ
More data for this
Ligand-Target Pair
Acetylcholine receptor protein epsilon chain


(Homo sapiens (Human))
BDBM8961
PNG
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)
Show SMILES Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)
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n/an/a 44n/an/an/an/an/an/a



University of Würzburg

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase


J Med Chem 48: 7496-9 (2005)


Article DOI: 10.1021/jm058041z
BindingDB Entry DOI: 10.7270/Q20864WZ
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha-1/beta-1/delta/epsilon


(Homo sapiens (Human))
BDBM50459975
PNG
(CHEMBL4228909)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)CNC(=O)CN)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C112H175N37O26S2/c1-5-62(4)89(108(173)148-46-18-30-84(148)97(162)133-70(23-11-39-125-111(118)119)105(170)144-42-13-25-79(144)96(161)132-68(21-7-9-37-114)103(168)145-43-14-26-80(145)98(163)134-71(109(174)175)24-12-40-126-112(120)121)142-93(158)73(49-63-32-34-66(150)35-33-63)136-91(156)74(50-64-54-122-59-128-64)137-94(159)77-57-176-177-58-78(95(160)139-76(51-65-55-123-60-129-65)106(171)149-47-19-31-85(149)107(172)147-45-17-29-83(147)101(166)140-77)141-100(165)82-28-16-44-146(82)104(169)69(22-10-38-124-110(116)117)131-90(155)72(48-61(2)3)135-92(157)75(52-88(153)154)138-99(164)81-27-15-41-143(81)102(167)67(20-6-8-36-113)130-87(152)56-127-86(151)53-115/h32-35,54-55,59-62,67-85,89,150H,5-31,36-53,56-58,113-115H2,1-4H3,(H,122,128)(H,123,129)(H,127,151)(H,130,152)(H,131,155)(H,132,161)(H,133,162)(H,134,163)(H,135,157)(H,136,156)(H,137,159)(H,138,164)(H,139,160)(H,140,166)(H,141,165)(H,142,158)(H,153,154)(H,174,175)(H4,116,117,124)(H4,118,119,125)(H4,120,121,126)/t62-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,89-/m0/s1
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n/an/a 50n/an/an/an/an/an/a



Peptides International, Inc.

Curated by ChEMBL


Assay Description
Inhibition of nAChR epsilon (unknown origin)


Bioorg Med Chem 26: 2738-2758 (2018)

More data for this
Ligand-Target Pair
Acetylcholine receptor protein epsilon chain


(Homo sapiens (Human))
BDBM50177174
PNG
(9-amino-5,6,7,8-tetrahydroacridin-4yl)methano | CH...)
Show SMILES Nc1c2CCCCc2nc2c(CO)cccc12
Show InChI InChI=1S/C14H16N2O/c15-13-10-5-1-2-7-12(10)16-14-9(8-17)4-3-6-11(13)14/h3-4,6,17H,1-2,5,7-8H2,(H2,15,16)
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n/an/a 125n/an/an/an/an/an/a



University of Würzburg

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase


J Med Chem 48: 7496-9 (2005)


Article DOI: 10.1021/jm058041z
BindingDB Entry DOI: 10.7270/Q20864WZ
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha-1/beta-1/delta/epsilon


(Homo sapiens (Human))
BDBM50049757
PNG
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2
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)

More data for this
Ligand-Target Pair
Muscle-type nicotinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50111638
PNG
(CHEMBL16044 | N-[(S)-1-(11-Amino-undecylcarbamoyl)...)
Show SMILES CCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCCCCCCCCN
Show InChI InChI=1S/C24H41N3O3/c1-2-12-23(29)27-22(19-20-13-15-21(28)16-14-20)24(30)26-18-11-9-7-5-3-4-6-8-10-17-25/h13-16,22,28H,2-12,17-19,25H2,1H3,(H,26,30)(H,27,29)/t22-/m0/s1
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n/an/a 460n/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against human embryonic muscle type Nicotinic acetylcholine receptor specifically delta-subunit expres...


Bioorg Med Chem Lett 12: 1159-62 (2002)


Article DOI: 10.1016/s0960-894x(02)00120-8
BindingDB Entry DOI: 10.7270/Q2BC3XWG
More data for this
Ligand-Target Pair
Muscle-type nicotinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50111638
PNG
(CHEMBL16044 | N-[(S)-1-(11-Amino-undecylcarbamoyl)...)
Show SMILES CCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCCCCCCCCN
Show InChI InChI=1S/C24H41N3O3/c1-2-12-23(29)27-22(19-20-13-15-21(28)16-14-20)24(30)26-18-11-9-7-5-3-4-6-8-10-17-25/h13-16,22,28H,2-12,17-19,25H2,1H3,(H,26,30)(H,27,29)/t22-/m0/s1
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n/an/a 580n/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against human embryonic muscle type Nicotinic acetylcholine receptor specifically delta-subunit expres...


Bioorg Med Chem Lett 12: 1159-62 (2002)


Article DOI: 10.1016/s0960-894x(02)00120-8
BindingDB Entry DOI: 10.7270/Q2BC3XWG
More data for this
Ligand-Target Pair
alpha-1 Nicotinic AChR


(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
Muscle-type nicotinic acetylcholine receptor


(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 930n/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against human embryonic muscle type Nicotinic acetylcholine receptor specifically delta-subunit expres...


Bioorg Med Chem Lett 12: 1159-62 (2002)


Article DOI: 10.1016/s0960-894x(02)00120-8
BindingDB Entry DOI: 10.7270/Q2BC3XWG
More data for this
Ligand-Target Pair
alpha-1 Nicotinic AChR


(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
Muscle-type nicotinic acetylcholine receptor


(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 1.53E+3n/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against human embryonic muscle type Nicotinic acetylcholine receptor specifically delta-subunit expres...


Bioorg Med Chem Lett 12: 1159-62 (2002)


Article DOI: 10.1016/s0960-894x(02)00120-8
BindingDB Entry DOI: 10.7270/Q2BC3XWG
More data for this
Ligand-Target Pair
alpha-1 Nicotinic AChR


(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
alpha-1 Nicotinic AChR


(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
alpha-1 Nicotinic AChR


(Homo sapiens (Human))
BDBM50352784
PNG
(CHEMBL1823380)
Show SMILES CCc1cc(on1)C1=CCC[C@@H]2CC[C@H]1N2
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
Muscle-type nicotinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50111636
PNG
(CHEMBL16259 | N-[(S)-1-(8-Amino-octylcarbamoyl)-2-...)
Show SMILES CCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCCCCCN
Show InChI InChI=1S/C21H35N3O3/c1-2-9-20(26)24-19(16-17-10-12-18(25)13-11-17)21(27)23-15-8-6-4-3-5-7-14-22/h10-13,19,25H,2-9,14-16,22H2,1H3,(H,23,27)(H,24,26)/t19-/m0/s1
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n/an/a 5.03E+3n/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against human embryonic muscle type Nicotinic acetylcholine receptor specifically delta-subunit expres...


Bioorg Med Chem Lett 12: 1159-62 (2002)


Article DOI: 10.1016/s0960-894x(02)00120-8
BindingDB Entry DOI: 10.7270/Q2BC3XWG
More data for this
Ligand-Target Pair
Muscle-type nicotinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50111639
PNG
(CHEMBL16184 | N-[(S)-1-(7-Amino-heptylcarbamoyl)-2...)
Show SMILES CCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCCCCN
Show InChI InChI=1S/C20H33N3O3/c1-2-8-19(25)23-18(15-16-9-11-17(24)12-10-16)20(26)22-14-7-5-3-4-6-13-21/h9-12,18,24H,2-8,13-15,21H2,1H3,(H,22,26)(H,23,25)/t18-/m0/s1
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n/an/a 5.44E+3n/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against human embryonic muscle type Nicotinic acetylcholine receptor specifically delta-subunit expres...


Bioorg Med Chem Lett 12: 1159-62 (2002)


Article DOI: 10.1016/s0960-894x(02)00120-8
BindingDB Entry DOI: 10.7270/Q2BC3XWG
More data for this
Ligand-Target Pair
alpha-1 Nicotinic AChR


(Homo sapiens (Human))
BDBM50352785
PNG
(CHEMBL1823381)
Show SMILES CC(C)c1cc(on1)C1=CCC[C@@H]2CC[C@H]1N2
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
Nicotinic acetylcholine receptor alpha-1/beta-1/delta/epsilon


(Homo sapiens (Human))
BDBM50472282
PNG
(DESCYANOTHIACLOPRID | 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)

More data for this
Ligand-Target Pair
alpha-1 Nicotinic AChR


(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
alpha-1 Nicotinic AChR


(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
alpha-1 Nicotinic AChR


(Homo sapiens (Human))
BDBM50352786
PNG
(CHEMBL1823382)
Show SMILES C1C[C@H]2N[C@@H]1CCC=C2c1cc(no1)-c1ccccc1
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
Nicotinic acetylcholine receptor alpha-1/beta-1/delta/epsilon


(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)

More data for this
Ligand-Target Pair
Muscle-type nicotinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50111640
PNG
(CHEMBL16607 | N-[(S)-1-(10-Amino-decylcarbamoyl)-2...)
Show SMILES CCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCCCCCCCN
Show InChI InChI=1S/C23H39N3O3/c1-2-11-22(28)26-21(18-19-12-14-20(27)15-13-19)23(29)25-17-10-8-6-4-3-5-7-9-16-24/h12-15,21,27H,2-11,16-18,24H2,1H3,(H,25,29)(H,26,28)/t21-/m0/s1
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n/an/a 8.66E+3n/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against human embryonic muscle type Nicotinic acetylcholine receptor specifically delta-subunit expres...


Bioorg Med Chem Lett 12: 1159-62 (2002)


Article DOI: 10.1016/s0960-894x(02)00120-8
BindingDB Entry DOI: 10.7270/Q2BC3XWG
More data for this
Ligand-Target Pair
Muscle-type nicotinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50111636
PNG
(CHEMBL16259 | N-[(S)-1-(8-Amino-octylcarbamoyl)-2-...)
Show SMILES CCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCCCCCN
Show InChI InChI=1S/C21H35N3O3/c1-2-9-20(26)24-19(16-17-10-12-18(25)13-11-17)21(27)23-15-8-6-4-3-5-7-14-22/h10-13,19,25H,2-9,14-16,22H2,1H3,(H,23,27)(H,24,26)/t19-/m0/s1
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n/an/a 9.76E+3n/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against human embryonic muscle type Nicotinic acetylcholine receptor specifically delta-subunit expres...


Bioorg Med Chem Lett 12: 1159-62 (2002)


Article DOI: 10.1016/s0960-894x(02)00120-8
BindingDB Entry DOI: 10.7270/Q2BC3XWG
More data for this
Ligand-Target Pair
alpha-1 Nicotinic AChR


(Homo sapiens (Human))
BDBM50352787
PNG
(CHEMBL1823383)
Show SMILES CCOC(=O)c1cc(on1)C1=CCC[C@@H]2CC[C@H]1N2
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
alpha-1 Nicotinic AChR


(Homo sapiens (Human))
BDBM50352791
PNG
(CHEMBL1823387)
Show SMILES CCOC(=O)c1noc2CC[C@@H]3CC[C@@H](N3)c12
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
alpha-1 Nicotinic AChR


(Homo sapiens (Human))
BDBM50352788
PNG
(CHEMBL1823384)
Show SMILES Cc1cc(on1)[C@@]1(O)CCC[C@@H]2CC[C@H]1N2
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
alpha-1 Nicotinic AChR


(Homo sapiens (Human))
BDBM50352789
PNG
(CHEMBL1823385)
Show SMILES Cc1cc(on1)[C@]1(O)CCC[C@@H]2CC[C@H]1N2
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
alpha-1 Nicotinic AChR


(Homo sapiens (Human))
BDBM50352790
PNG
(CHEMBL1823386)
Show SMILES Cc1noc2CC[C@@H]3CC[C@@H](N3)c12
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
Muscle-type nicotinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50111639
PNG
(CHEMBL16184 | N-[(S)-1-(7-Amino-heptylcarbamoyl)-2...)
Show SMILES CCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCCCCN
Show InChI InChI=1S/C20H33N3O3/c1-2-8-19(25)23-18(15-16-9-11-17(24)12-10-16)20(26)22-14-7-5-3-4-6-13-21/h9-12,18,24H,2-8,13-15,21H2,1H3,(H,22,26)(H,23,25)/t18-/m0/s1
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n/an/a 1.05E+4n/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against human embryonic muscle type Nicotinic acetylcholine receptor specifically delta-subunit expres...


Bioorg Med Chem Lett 12: 1159-62 (2002)


Article DOI: 10.1016/s0960-894x(02)00120-8
BindingDB Entry DOI: 10.7270/Q2BC3XWG
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha-1/beta-1/delta/epsilon


(Homo sapiens (Human))
BDBM50078048
PNG
(1-(6-Chloro-pyridin-3-ylmethyl)-imidazolidin-(2Z)-...)
Show SMILES NC1=NCCN1Cc1ccc(Cl)nc1
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)

More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha-1/beta-1/delta/epsilon


(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)

More data for this
Ligand-Target Pair
alpha-1 Nicotinic AChR


(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
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
Muscle-type nicotinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50111637
PNG
(CHEMBL279418 | N-[(S)-1-(9-Amino-nonylcarbamoyl)-2...)
Show SMILES CCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCCCCCCN
Show InChI InChI=1S/C22H37N3O3/c1-2-10-21(27)25-20(17-18-11-13-19(26)14-12-18)22(28)24-16-9-7-5-3-4-6-8-15-23/h11-14,20,26H,2-10,15-17,23H2,1H3,(H,24,28)(H,25,27)/t20-/m0/s1
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n/an/a 1.33E+4n/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against human embryonic muscle type Nicotinic acetylcholine receptor specifically delta-subunit expres...


Bioorg Med Chem Lett 12: 1159-62 (2002)


Article DOI: 10.1016/s0960-894x(02)00120-8
BindingDB Entry DOI: 10.7270/Q2BC3XWG
More data for this
Ligand-Target Pair
Muscle-type nicotinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50111637
PNG
(CHEMBL279418 | N-[(S)-1-(9-Amino-nonylcarbamoyl)-2...)
Show SMILES CCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCCCCCCN
Show InChI InChI=1S/C22H37N3O3/c1-2-10-21(27)25-20(17-18-11-13-19(26)14-12-18)22(28)24-16-9-7-5-3-4-6-8-15-23/h11-14,20,26H,2-10,15-17,23H2,1H3,(H,24,28)(H,25,27)/t20-/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
Compound was evaluated for inhibitory activity against human embryonic muscle type Nicotinic acetylcholine receptor specifically delta-subunit expres...


Bioorg Med Chem Lett 12: 1159-62 (2002)


Article DOI: 10.1016/s0960-894x(02)00120-8
BindingDB Entry DOI: 10.7270/Q2BC3XWG
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha-1/beta-1/delta/epsilon


(Homo sapiens (Human))
BDBM82070
PNG
(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)
Show SMILES CN1CCC[C@H]1c1cccnc1
Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1
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n/an/a 2.10E+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)

More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha-1/beta-1/delta/epsilon


(Homo sapiens (Human))
BDBM50443541
PNG
(CHEMBL3091687)
Show SMILES NCCCCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12
Show InChI InChI=1S/C23H32N4/c24-12-3-4-14-27(22-11-5-9-18-10-6-13-25-23(18)22)17-21-15-19-7-1-2-8-20(19)16-26-21/h1-2,6-8,10,13,21-22,26H,3-5,9,11-12,14-17,24H2/t21-,22+/m1/s1
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n/an/a>3.00E+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)

More data for this
Ligand-Target Pair
alpha-1 Nicotinic AChR


(Homo sapiens (Human))
BDBM225230
PNG
(EED226)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cnc(NCc2ccco2)n2cnnc12
Show InChI InChI=1S/C17H15N5O3S/c1-26(23,24)14-6-4-12(5-7-14)15-10-19-17(22-11-20-21-16(15)22)18-9-13-3-2-8-25-13/h2-8,10-11H,9H2,1H3,(H,18,19)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research



Assay Description
All HMT reactions were performed as described previously [Nasveschuk et al., ACS Med. Chem. Lett., 5:378-383].


Nat Chem Biol 13: 381-388 (2017)


Article DOI: 10.1038/nchembio.2304
BindingDB Entry DOI: 10.7270/Q2S75F64
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha-1/beta-1


(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>3.00E+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)

More data for this
Ligand-Target Pair
Muscle-type nicotinic acetylcholine receptor


(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 7.50E+4n/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against human embryonic muscle type Nicotinic acetylcholine receptor specifically delta-subunit expres...


Bioorg Med Chem Lett 12: 1159-62 (2002)


Article DOI: 10.1016/s0960-894x(02)00120-8
BindingDB Entry DOI: 10.7270/Q2BC3XWG
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha-1/beta-1/delta/epsilon


(Homo sapiens (Human))
BDBM50487992
PNG
(CHEMBL2270633)
Show SMILES [O-][N+](=O)\C=C1\NCCCN1Cc1ccc(Cl)nc1
Show InChI InChI=1S/C11H13ClN4O2/c12-10-3-2-9(6-14-10)7-15-5-1-4-13-11(15)8-16(17)18/h2-3,6,8,13H,1,4-5,7H2/b11-8-
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n/an/a 8.10E+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)

More data for this
Ligand-Target Pair
alpha-1 Nicotinic AChR


(Homo sapiens (Human))
BDBM50413331
PNG
(CHEMBL459900)
Show SMILES CN1C(CC(CN2CCCCC2)C1=O)C#Cc1ccc2occc2c1
Show InChI InChI=1S/C21H24N2O2/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/h6,8-9,12-13,18-19H,2-4,10-11,14-15H2,1H3
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n/an/a 1.00E+5n/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
Nicotinic acetylcholine receptor alpha-1/beta-1/delta/epsilon


(Homo sapiens (Human))
BDBM50251868
PNG
((Z)-thiacloprid | CHEMBL451432 | {(2Z)-3-[(6-chlor...)
Show SMILES Clc1ccc(CN2CCS\C2=N/C#N)cn1
Show InChI InChI=1S/C10H9ClN4S/c11-9-2-1-8(5-13-9)6-15-3-4-16-10(15)14-7-12/h1-2,5H,3-4,6H2/b14-10-
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n/an/a 1.20E+5n/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)

More data for this
Ligand-Target Pair
alpha-1 Nicotinic AChR


(Homo sapiens (Human))
BDBM50248045
PNG
((S)-1-(2-fluorophenyl)ethyl (S)-quinuclidin-3-ylca...)
Show SMILES C[C@H](OC(=O)N[C@@H]1CN2CCC1CC2)c1ccccc1F
Show InChI InChI=1S/C16H21FN2O2/c1-11(13-4-2-3-5-14(13)17)21-16(20)18-15-10-19-8-6-12(15)7-9-19/h2-5,11-12,15H,6-10H2,1H3,(H,18,20)/t11-,15+/m0/s1
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n/an/a 1.26E+5n/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
Nicotinic acetylcholine receptor alpha-1/beta-1/delta/epsilon


(Homo sapiens (Human))
BDBM50212288
PNG
((2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimida...)
Show SMILES [O-][N+](=O)NC1=NCCN1Cc1ccc(Cl)nc1
Show InChI InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)
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n/an/a>3.00E+5n/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)

More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha-1/beta-1/delta/epsilon


(Rattus norvegicus-RAT)
BDBM50206243
PNG
(CHEMBL3918431)
Show SMILES C1N=C(Nc2cc3ccccc3cn2)O[C@]11CN2CCC1CC2
Show InChI InChI=1S/C18H20N4O/c1-2-4-14-10-19-16(9-13(14)3-1)21-17-20-11-18(23-17)12-22-7-5-15(18)6-8-22/h1-4,9-10,15H,5-8,11-12H2,(H,19,20,21)/t18-/m0/s1
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n/an/an/an/a>1.00E+5n/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Agonist activity at rat alpha1beta1deltaepsilon nAChR expressed in HEK293 cells for 2 mins by FLIPR assay


J Med Chem 59: 11171-11181 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01506
BindingDB Entry DOI: 10.7270/Q2NS0X2H
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha-1/beta-1/delta/epsilon


(Homo sapiens (Human))
BDBM50232602
PNG
(CHEMBL4097654)
Show SMILES Clc1cc(NC2=NC[C@@]3(CN4CCC3CC4)O2)ncn1
Show InChI InChI=1S/C13H16ClN5O/c14-10-5-11(17-8-16-10)18-12-15-6-13(20-12)7-19-3-1-9(13)2-4-19/h5,8-9H,1-4,6-7H2,(H,15,16,17,18)/t13-/m0/s1
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n/an/an/an/a>1.00E+5n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at alpha1beta1deltaepsilon nAChR (unknown origin) assessed as increase in calcium influx measured for 2 mins by Fluo-4-AM dye based ...


Bioorg Med Chem Lett 27: 1261-1266 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.058
BindingDB Entry DOI: 10.7270/Q2FJ2K1D
More data for this
Ligand-Target Pair
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