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Compile Data Set for Download or QSAR

Found 96 hits Enz. Inhib. hit(s) with Target = 'Acetylcholine receptor protein alpha chain/beta chain/delta chain /gamma chain'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Acetylcholine receptor protein alpha chain/beta chain/delta chain /gamma chain


(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/an/an/a 0.0530n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Change in membrane potential in TE-671 cells expressing acetylcholine neuromuscular receptors


Bioorg Med Chem Lett 15: 1221-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.073
BindingDB Entry DOI: 10.7270/Q2DJ5GVR
More data for this
Ligand-Target Pair
Acetylcholine receptor protein alpha chain/beta chain/delta chain /gamma chain


(Homo sapiens (Human))
BDBM50143282
PNG
((-)-cytisine | (1R,5S)-1,2,3,4,5,6-Hexahydro-1,5-m...)
Show SMILES O=c1cccc2[C@H]3CNC[C@H](C3)Cn12
Show InChI InChI=1S/C11H14N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h1-3,8-9,12H,4-7H2/t8?,9-/m1/s1
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n/an/an/an/a 11n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Change in membrane potential in TE-671 cells expressing acetylcholine neuromuscular receptors


Bioorg Med Chem Lett 15: 1221-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.073
BindingDB Entry DOI: 10.7270/Q2DJ5GVR
More data for this
Ligand-Target Pair
Acetylcholine receptor protein alpha chain/beta chain/delta chain /gamma chain


(Homo sapiens (Human))
BDBM50161090
PNG
(9-Chloro-1,2,3,4,5,6-hexahydro-1,5-methano-pyrido[...)
Show SMILES Clc1ccc2C3CNCC(C3)Cn2c1=O
Show InChI InChI=1S/C11H13ClN2O/c12-9-1-2-10-8-3-7(4-13-5-8)6-14(10)11(9)15/h1-2,7-8,13H,3-6H2
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n/an/an/an/a 28n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Change in membrane potential in TE-671 cells expressing acetylcholine neuromuscular receptors


Bioorg Med Chem Lett 15: 1221-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.073
BindingDB Entry DOI: 10.7270/Q2DJ5GVR
More data for this
Ligand-Target Pair
Acetylcholine receptor protein alpha chain/beta chain/delta chain /gamma chain


(Homo sapiens (Human))
BDBM50161085
PNG
(9-Bromo-1,2,3,4,5,6-hexahydro-1,5-methano-pyrido[1...)
Show SMILES Brc1ccc2C3CNCC(C3)Cn2c1=O
Show InChI InChI=1S/C11H13BrN2O/c12-9-1-2-10-8-3-7(4-13-5-8)6-14(10)11(9)15/h1-2,7-8,13H,3-6H2
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n/an/an/an/a 31n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Change in membrane potential in TE-671 cells expressing acetylcholine neuromuscular receptors


Bioorg Med Chem Lett 15: 1221-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.073
BindingDB Entry DOI: 10.7270/Q2DJ5GVR
More data for this
Ligand-Target Pair
Acetylcholine receptor protein alpha chain/beta chain/delta chain /gamma chain


(Homo sapiens (Human))
BDBM50161083
PNG
(11,11-dimethyl-6-oxo-7-aza-11-azoniatricyclo[7.3.1...)
Show SMILES C[N+]1(C)CC2CC(C1)c1cccc(=O)n1C2
Show InChI InChI=1S/C13H19N2O/c1-15(2)8-10-6-11(9-15)12-4-3-5-13(16)14(12)7-10/h3-5,10-11H,6-9H2,1-2H3/q+1
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n/an/an/an/a 37n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Change in membrane potential in TE-671 cells expressing acetylcholine neuromuscular receptors


Bioorg Med Chem Lett 15: 1221-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.073
BindingDB Entry DOI: 10.7270/Q2DJ5GVR
More data for this
Ligand-Target Pair
Acetylcholine receptor protein alpha chain/beta chain/delta chain /gamma chain


(Homo sapiens (Human))
BDBM50161086
PNG
(9-Iodo-1,2,3,4,5,6-hexahydro-1,5-methano-pyrido[1,...)
Show SMILES Ic1ccc2C3CNCC(C3)Cn2c1=O
Show InChI InChI=1S/C11H13IN2O/c12-9-1-2-10-8-3-7(4-13-5-8)6-14(10)11(9)15/h1-2,7-8,13H,3-6H2
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n/an/an/an/a 45n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Change in membrane potential in TE-671 cells expressing acetylcholine neuromuscular receptors


Bioorg Med Chem Lett 15: 1221-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.073
BindingDB Entry DOI: 10.7270/Q2DJ5GVR
More data for this
Ligand-Target Pair
Acetylcholine receptor protein alpha chain/beta chain/delta chain /gamma chain


(Homo sapiens (Human))
BDBM50161089
PNG
(11-Chloro-1,2,3,4,5,6-hexahydro-1,5-methano-pyrido...)
Show SMILES Clc1ccc(=O)n2CC3CNCC(C3)c12
Show InChI InChI=1S/C11H13ClN2O/c12-9-1-2-10(15)14-6-7-3-8(11(9)14)5-13-4-7/h1-2,7-8,13H,3-6H2
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n/an/an/an/a>100n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Change in membrane potential in TE-671 cells expressing acetylcholine neuromuscular receptors


Bioorg Med Chem Lett 15: 1221-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.073
BindingDB Entry DOI: 10.7270/Q2DJ5GVR
More data for this
Ligand-Target Pair
Acetylcholine receptor protein alpha chain/beta chain/delta chain /gamma chain


(Homo sapiens (Human))
BDBM50161088
PNG
(11-Bromo-1,2,3,4,5,6-hexahydro-1,5-methano-pyrido[...)
Show SMILES Brc1ccc(=O)n2CC3CNCC(C3)c12
Show InChI InChI=1S/C11H13BrN2O/c12-9-1-2-10(15)14-6-7-3-8(11(9)14)5-13-4-7/h1-2,7-8,13H,3-6H2
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n/an/an/an/a>100n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Change in membrane potential in TE-671 cells expressing acetylcholine neuromuscular receptors


Bioorg Med Chem Lett 15: 1221-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.073
BindingDB Entry DOI: 10.7270/Q2DJ5GVR
More data for this
Ligand-Target Pair
Acetylcholine receptor protein alpha chain/beta chain/delta chain /gamma chain


(Homo sapiens (Human))
BDBM50161087
PNG
(9,11-Diiodo-1,2,3,4,5,6-hexahydro-1,5-methano-pyri...)
Show SMILES Ic1cc(I)c(=O)n2CC3CNCC(C3)c12
Show InChI InChI=1S/C11H12I2N2O/c12-8-2-9(13)11(16)15-5-6-1-7(10(8)15)4-14-3-6/h2,6-7,14H,1,3-5H2
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n/an/an/an/a>100n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Change in membrane potential in TE-671 cells expressing acetylcholine neuromuscular receptors


Bioorg Med Chem Lett 15: 1221-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.073
BindingDB Entry DOI: 10.7270/Q2DJ5GVR
More data for this
Ligand-Target Pair
Acetylcholine receptor protein alpha chain/beta chain/delta chain /gamma chain


(Homo sapiens (Human))
BDBM50161084
PNG
(1,2,3,4,5,6-Hexahydro-1,5-methano-pyrido[1,2-a][1,...)
Show SMILES S=c1cccc2C3CNCC(C3)Cn12
Show InChI InChI=1S/C11H14N2S/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h1-3,8-9,12H,4-7H2
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n/an/an/an/a>100n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Change in membrane potential in TE-671 cells expressing acetylcholine neuromuscular receptors


Bioorg Med Chem Lett 15: 1221-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.073
BindingDB Entry DOI: 10.7270/Q2DJ5GVR
More data for this
Ligand-Target Pair
Acetylcholine receptor protein alpha chain/beta chain/delta chain /gamma chain


(Homo sapiens (Human))
BDBM50161091
PNG
(9,11-Dibromo-1,2,3,4,5,6-hexahydro-1,5-methano-pyr...)
Show SMILES Brc1cc(Br)c(=O)n2CC3CNCC(C3)c12
Show InChI InChI=1S/C11H12Br2N2O/c12-8-2-9(13)11(16)15-5-6-1-7(10(8)15)4-14-3-6/h2,6-7,14H,1,3-5H2
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n/an/an/an/a>100n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Change in membrane potential in TE-671 cells expressing acetylcholine neuromuscular receptors


Bioorg Med Chem Lett 15: 1221-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.073
BindingDB Entry DOI: 10.7270/Q2DJ5GVR
More data for this
Ligand-Target Pair
Acetylcholine receptor protein alpha chain/beta chain/delta chain /gamma chain


(Homo sapiens (Human))
BDBM50161092
PNG
(9,11-Dichloro-1,2,3,4,5,6-hexahydro-1,5-methano-py...)
Show SMILES Clc1cc(Cl)c(=O)n2CC3CNCC(C3)c12
Show InChI InChI=1S/C11H12Cl2N2O/c12-8-2-9(13)11(16)15-5-6-1-7(10(8)15)4-14-3-6/h2,6-7,14H,1,3-5H2
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n/an/an/an/a>100n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Change in membrane potential in TE-671 cells expressing acetylcholine neuromuscular receptors


Bioorg Med Chem Lett 15: 1221-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.073
BindingDB Entry DOI: 10.7270/Q2DJ5GVR
More data for this
Ligand-Target Pair
Acetylcholine receptor protein alpha chain/beta chain/delta chain /gamma chain


(Homo sapiens (Human))
BDBM50210332
PNG
(CHEMBL3889475)
Show SMILES COCC[C@H]1C[C@@H]1c1cncc(c1)N1CCCN(C)CC1
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/an/an/a>1.00E+4n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Agonist activity at alpha1beta1gammadelta nAChR in human TE671/RD cells after 9.5 mins by 86Rb+ efflux assay


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 protein alpha chain/beta chain/delta chain /gamma chain


(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/an/an/a>1.00E+4n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Agonist activity at alpha1beta1gammadelta nAChR in human TE671/RD cells after 9.5 mins by 86Rb+ efflux assay


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 protein alpha chain/beta chain/delta chain /gamma chain


(Homo sapiens (Human))
BDBM50210338
PNG
(CHEMBL3926480)
Show SMILES COCC[C@H]1C[C@@H]1c1cncc(c1)N1C[C@@H]2C[C@H]1CN2
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/an/an/a>1.00E+4n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Agonist activity at alpha1beta1gammadelta nAChR in human TE671/RD cells after 9.5 mins by 86Rb+ efflux assay


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 protein alpha chain/beta chain/delta chain /gamma chain


(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/an/an/a>1.00E+4n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Agonist activity at alpha1beta1gammadelta nAChR in human TE671/RD cells after 9.5 mins by 86Rb+ efflux assay


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 protein alpha chain/beta chain/delta chain /gamma chain


(Homo sapiens (Human))
BDBM50210336
PNG
(CHEMBL3899499)
Show SMILES COCC[C@@H]1C[C@H]1c1cncc(c1)N1C[C@@H]2C[C@H]1CN2
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/an/an/a>1.00E+4n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Agonist activity at alpha1beta1gammadelta nAChR in human TE671/RD cells after 9.5 mins by 86Rb+ efflux assay


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 protein alpha chain/beta chain/delta chain /gamma chain


(Homo sapiens (Human))
BDBM50210334
PNG
(CHEMBL3948977)
Show SMILES COCC[C@H]1C[C@@H]1c1cncc(c1)N1CCCNCC1
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/an/an/a>1.00E+4n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Agonist activity at alpha1beta1gammadelta nAChR in human TE671/RD cells after 9.5 mins by 86Rb+ efflux assay


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 protein alpha chain/beta chain/delta chain /gamma chain


(Homo sapiens (Human))
BDBM50210335
PNG
(CHEMBL3898434)
Show SMILES COCC[C@@H]1C[C@H]1c1cncc(c1)N1CCCNCC1
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/an/an/a>1.00E+4n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Agonist activity at alpha1beta1gammadelta nAChR in human TE671/RD cells after 9.5 mins by 86Rb+ efflux assay


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 protein alpha chain/beta chain/delta chain /gamma chain


(Homo sapiens (Human))
BDBM86544
PNG
(CAS_192231-16-6 | CHEMBL111580 | NSC_6442277 | SIB...)
Show SMILES CN1CCCC1c1cncc(c1)C#C
Show InChI InChI=1S/C12H14N2/c1-3-10-7-11(9-13-8-10)12-5-4-6-14(12)2/h1,7-9,12H,4-6H2,2H3
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n/an/an/an/a 5.20E+4n/an/an/an/a



SIBIA Neurosciences Inc

Curated by PDSP Ki Database


Assay Description
The compound was tested on recombinant human alpha-1-beta-1-gamma-delta cell lines of human embryonic kidney for nicotinic acetylcholine receptor ago...


J Med Chem 39: 3235-7 (1996)


Article DOI: 10.1021/jm960328w
BindingDB Entry DOI: 10.7270/Q2BV7H97
More data for this
Ligand-Target Pair
Acetylcholine receptor protein alpha chain/beta chain/delta chain /gamma chain


(Homo sapiens (Human))
BDBM86544
PNG
(CAS_192231-16-6 | CHEMBL111580 | NSC_6442277 | SIB...)
Show SMILES CN1CCCC1c1cncc(c1)C#C
Show InChI InChI=1S/C12H14N2/c1-3-10-7-11(9-13-8-10)12-5-4-6-14(12)2/h1,7-9,12H,4-6H2,2H3
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n/an/an/an/a 5.30E+4n/an/an/an/a



SIBIA Neurosciences Inc

Curated by PDSP Ki Database


Assay Description
Binding affinity at NAChRs was determined by measuring the displacement of ([3H]Nic) from a preparation of rat cortical membranes.


J Med Chem 39: 3235-7 (1996)


Article DOI: 10.1021/jm960328w
BindingDB Entry DOI: 10.7270/Q2BV7H97
More data for this
Ligand-Target Pair
Acetylcholine receptor protein alpha chain/beta chain/delta chain /gamma chain


(Homo sapiens (Human))
BDBM50096712
PNG
(3-(1H-Indole-3-carbonyloxy)-8,8-dimethyl-8-azonia-...)
Show SMILES C[N+]1(C)C2CCC1CC(C2)OC(=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C18H22N2O2/c1-20(2)12-7-8-13(20)10-14(9-12)22-18(21)16-11-19-17-6-4-3-5-15(16)17/h3-6,11-14H,7-10H2,1-2H3/p+1
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3.00E+3n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
In vitro Binding affinity towards Nicotinic acetylcholine receptor alpha4-beta2 was determined


Bioorg Med Chem Lett 11: 319-21 (2001)


Article DOI: 10.1016/s0960-894x(00)00670-3
BindingDB Entry DOI: 10.7270/Q2028S36
More data for this
Ligand-Target Pair
Acetylcholine receptor protein alpha chain/beta chain/delta chain /gamma chain


(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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5.50E+3n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
In vitro Binding affinity towards Nicotinic acetylcholine receptor alpha4-beta2 was determined


Bioorg Med Chem Lett 11: 319-21 (2001)


Article DOI: 10.1016/s0960-894x(00)00670-3
BindingDB Entry DOI: 10.7270/Q2028S36
More data for this
Ligand-Target Pair
Acetylcholine receptor protein alpha chain/beta chain/delta chain /gamma chain


(Homo sapiens (Human))
BDBM50108392
PNG
((3-ENDO)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-3-YL 1H-I...)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C17H20N2O2/c1-19-11-6-7-12(19)9-13(8-11)21-17(20)15-10-18-16-5-3-2-4-14(15)16/h2-5,10-13,18H,6-9H2,1H3/t11-,12+,13+
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2.70E+4n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
In vitro Binding affinity towards alpha-1-beta-1-gamma delta nAChR was determined


Bioorg Med Chem Lett 11: 319-21 (2001)


Article DOI: 10.1016/s0960-894x(00)00670-3
BindingDB Entry DOI: 10.7270/Q2028S36
More data for this
Ligand-Target Pair
Acetylcholine receptor protein alpha chain/beta chain/delta chain /gamma chain


(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 3.07E+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 protein alpha chain/beta chain/delta chain /gamma chain


(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 5.67E+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 protein alpha chain/beta chain/delta chain /gamma chain


(Homo sapiens (Human))
BDBM50473037
PNG
(CHEMBL336882)
Show SMILES CCCC(=O)N[C@@H](Cc1cccc(O)c1)C(=O)NCCCOCCCCOCCCN
Show InChI InChI=1S/C23H39N3O5/c1-2-8-22(28)26-21(18-19-9-5-10-20(27)17-19)23(29)25-12-7-16-31-14-4-3-13-30-15-6-11-24/h5,9-10,17,21,27H,2-4,6-8,11-16,18,24H2,1H3,(H,25,29)(H,26,28)/t21-/m0/s1
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n/an/a 4.26E+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 protein alpha chain/beta chain/delta chain /gamma chain


(Homo sapiens (Human))
BDBM50473024
PNG
(CHEMBL141800)
Show SMILES NCCCOCCCCOCCCNC(=O)[C@H](Cc1cccc(O)c1)NC(=O)Cc1ccccc1
Show InChI InChI=1S/C27H39N3O5/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/h1-3,6,9-12,19,25,31H,4-5,7-8,13-18,20-21,28H2,(H,29,33)(H,30,32)/t25-/m0/s1
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n/an/a 2.53E+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 protein alpha chain/beta chain/delta chain /gamma chain


(Homo sapiens (Human))
BDBM50473030
PNG
(CHEMBL344258)
Show SMILES CCCC(=O)N[C@@H](Cc1cccc(O)c1)C(=O)NCCCNCCCCNCCCN
Show InChI InChI=1S/C23H41N5O3/c1-2-8-22(30)28-21(18-19-9-5-10-20(29)17-19)23(31)27-16-7-15-26-13-4-3-12-25-14-6-11-24/h5,9-10,17,21,25-26,29H,2-4,6-8,11-16,18,24H2,1H3,(H,27,31)(H,28,30)/t21-/m0/s1
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n/an/a>1.00E+6n/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 protein alpha chain/beta chain/delta chain /gamma chain


(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 3.88E+5n/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 protein alpha chain/beta chain/delta chain /gamma chain


(Homo sapiens (Human))
BDBM50473025
PNG
(CHEMBL137820)
Show SMILES NCCCNCCCCNCCCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)Cc1ccccc1
Show InChI InChI=1S/C27H41N5O3/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/h1-3,8-13,25,29-30,33H,4-7,14-21,28H2,(H,31,35)(H,32,34)/t25-/m0/s1
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n/an/a 2.23E+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 protein alpha chain/beta chain/delta chain /gamma chain


(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 3.50E+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 protein alpha chain/beta chain/delta chain /gamma chain


(Homo sapiens (Human))
BDBM50473028
PNG
(CHEMBL140057)
Show SMILES NCCCCCCCCCCCCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CC1CCCCC1
Show InChI InChI=1S/C29H49N3O3/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/h16-19,24,27,33H,1-15,20-23,30H2,(H,31,35)(H,32,34)/t27-/m0/s1
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n/an/a 1.51E+5n/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 protein alpha chain/beta chain/delta chain /gamma chain


(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 7.27E+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 protein alpha chain/beta chain/delta chain /gamma chain


(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 1.05E+5n/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 protein alpha chain/beta chain/delta chain /gamma chain


(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
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 66n/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 protein alpha chain/beta chain/delta chain /gamma chain


(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
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 59n/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 protein alpha chain/beta chain/delta chain /gamma chain


(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
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 11n/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 protein alpha chain/beta chain/delta chain /gamma chain


(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
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 14n/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 protein alpha chain/beta chain/delta chain /gamma chain


(Homo sapiens (Human))
BDBM50322509
PNG
((+/-)3,5,5-Trimethyl-2-(pyridin-3-yl)morpholin-2-o...)
Show SMILES CC1NC(C)(C)COC1(O)c1cccnc1
Show InChI InChI=1S/C12H18N2O2/c1-9-12(15,10-5-4-6-13-7-10)16-8-11(2,3)14-9/h4-7,9,14-15H,8H2,1-3H3
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n/an/a>1n/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 protein alpha chain/beta chain/delta chain /gamma chain


(Homo sapiens (Human))
BDBM50322508
PNG
((+/-)3,5,5-Trimethyl-2-(pyridin-2-yl)morpholin-2-o...)
Show SMILES CC1NC(C)(C)COC1(O)c1ccccn1
Show InChI InChI=1S/C12H18N2O2/c1-9-12(15,10-6-4-5-7-13-10)16-8-11(2,3)14-9/h4-7,9,14-15H,8H2,1-3H3
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n/an/a>1n/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 protein alpha chain/beta chain/delta chain /gamma chain


(Homo sapiens (Human))
BDBM50322531
PNG
((2R,3R)-2-(3-Chlorophenyl)-3,5,5-trimethylmorpholi...)
Show SMILES C[C@H]1NC(C)(C)CO[C@]1(O)c1cccc(Cl)c1
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+/m1/s1
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n/an/a 28n/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 protein alpha chain/beta chain/delta chain /gamma chain


(Homo sapiens (Human))
BDBM50322528
PNG
((2S,3S)-2-(3-Bromophenyl)-3,5,5-trimethylmorpholin...)
Show SMILES C[C@@H]1NC(C)(C)CO[C@@]1(O)c1cccc(Br)c1
Show InChI InChI=1S/C13H18BrNO2/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 18n/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 protein alpha chain/beta chain/delta chain /gamma chain


(Homo sapiens (Human))
BDBM50322510
PNG
((2S,3S)-2-(4-Chlorophenyl)-3,4,5,5-tetramethylmorp...)
Show SMILES C[C@@H]1N(C)C(C)(C)CO[C@@]1(O)c1ccc(Cl)cc1
Show InChI InChI=1S/C14H20ClNO2/c1-10-14(17,11-5-7-12(15)8-6-11)18-9-13(2,3)16(10)4/h5-8,10,17H,9H2,1-4H3/t10-,14+/m0/s1
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n/an/a 43n/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 protein alpha chain/beta chain/delta chain /gamma chain


(Homo sapiens (Human))
BDBM50322527
PNG
((2S,3S)-2-(m-Tolyl)-3,5,5-trimethylmorpholin-2-ol ...)
Show SMILES C[C@@H]1NC(C)(C)CO[C@@]1(O)c1cccc(C)c1
Show InChI InChI=1S/C14H21NO2/c1-10-6-5-7-12(8-10)14(16)11(2)15-13(3,4)9-17-14/h5-8,11,15-16H,9H2,1-4H3/t11-,14+/m0/s1
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n/an/a 33n/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 protein alpha chain/beta chain/delta chain /gamma chain


(Homo sapiens (Human))
BDBM50322530
PNG
((2S,3S)-2-Phenyl-3,5,5-trimethylmorpholin-2-ol | C...)
Show SMILES C[C@@H]1NC(C)(C)CO[C@@]1(O)c1ccccc1
Show InChI InChI=1S/C13H19NO2/c1-10-13(15,11-7-5-4-6-8-11)16-9-12(2,3)14-10/h4-8,10,14-15H,9H2,1-3H3/t10-,13+/m0/s1
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n/an/a>1n/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 protein alpha chain/beta chain/delta chain /gamma chain


(Homo sapiens (Human))
BDBM50322529
PNG
((2S,3S)-2-(3-Fluorophenyl)-3,5,5-trimethylmorpholi...)
Show SMILES C[C@@H]1NC(C)(C)CO[C@@]1(O)c1cccc(F)c1
Show InChI InChI=1S/C13H18FNO2/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>1n/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 protein alpha chain/beta chain/delta chain /gamma chain


(Homo sapiens (Human))
BDBM50322511
PNG
((2S,3S)-2-(3-Chlorophenyl)-3,4,5,5-tetramethylmorp...)
Show SMILES C[C@@H]1N(C)C(C)(C)CO[C@@]1(O)c1cccc(Cl)c1
Show InChI InChI=1S/C14H20ClNO2/c1-10-14(17,11-6-5-7-12(15)8-11)18-9-13(2,3)16(10)4/h5-8,10,17H,9H2,1-4H3/t10-,14+/m0/s1
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n/an/a 57n/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 protein alpha chain/beta chain/delta chain /gamma chain


(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
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 1n/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 protein alpha chain/beta chain/delta chain /gamma chain


(Homo sapiens (Human))
BDBM50322519
PNG
((2S,3S)-2-(3,4-Difluorophenyl)-3,5,5-trimethylmorp...)
Show SMILES C[C@@H]1NC(C)(C)CO[C@@]1(O)c1ccc(F)c(F)c1
Show InChI InChI=1S/C13H17F2NO2/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/t8-,13+/m0/s1
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n/an/a 36n/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
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