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Compile Data Set for Download or QSAR

Found 63 hits of ec50 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/beta/delta/gamma


(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/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 subunit alpha/beta/delta/gamma


(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 subunit alpha/beta/delta/gamma


(Homo sapiens (Human))
BDBM50161090
PNG
(9-Chloro-1,2,3,4,5,6-hexahydro-1,5-methano-pyrido[...)
Show SMILES Clc1ccc2C3CNCC(C3)Cn2c1=O |THB:3:4:10:7.6.8|
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 subunit alpha/beta/delta/gamma


(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 |TLB:13:12:10:7.6.8,THB:3:4:10:7.6.8|
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 subunit alpha/beta/delta/gamma


(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 |TLB:9:8:5:1.7.3,THB:12:14:5:1.7.3|
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 subunit alpha/beta/delta/gamma


(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 |THB:3:4:10:7.6.8|
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 subunit alpha/beta/delta/gamma


(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 |TLB:5:7:14:11.12.10,THB:1:15:14:11.12.10|
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 subunit alpha/beta/delta/gamma


(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 |THB:1:15:14:11.12.10|
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 subunit alpha/beta/delta/gamma


(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 |THB:4:5:11:8.7.9|
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 subunit alpha/beta/delta/gamma


(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 |TLB:4:6:13:10.11.9,THB:1:14:13:10.11.9|
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 subunit alpha/beta/delta/gamma


(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 |THB:1:15:14:11.12.10|
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 subunit alpha/beta/delta/gamma


(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 |THB:1:14:13:10.11.9|
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 subunit alpha/Neuronal acetylcholine receptor subunit beta-4


(Homo sapiens (Human))
BDBM50459884
PNG
(CHEMBL4228846)
Show SMILES Brc1cccc2cc(sc12)C(=O)N[C@@H]1CCCNC1 |r|
Show InChI InChI=1S/C14H15BrN2OS/c15-11-5-1-3-9-7-12(19-13(9)11)14(18)17-10-4-2-6-16-8-10/h1,3,5,7,10,16H,2,4,6,8H2,(H,17,18)/t10-/m1/s1
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n/an/an/an/a 286n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human alpha2beta4 nAChR expressed in HEK cells preincubated for 15 mins followed by dihydro-beta-erythroidine hydro...


Bioorg Med Chem Lett 27: 3207-3218 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.073
BindingDB Entry DOI: 10.7270/Q2MC92NR
More data for this
Ligand-Target Pair
Acetylcholine receptor subunit alpha/Neuronal acetylcholine receptor subunit beta-2


(Homo sapiens (Human))
BDBM50459884
PNG
(CHEMBL4228846)
Show SMILES Brc1cccc2cc(sc12)C(=O)N[C@@H]1CCCNC1 |r|
Show InChI InChI=1S/C14H15BrN2OS/c15-11-5-1-3-9-7-12(19-13(9)11)14(18)17-10-4-2-6-16-8-10/h1,3,5,7,10,16H,2,4,6,8H2,(H,17,18)/t10-/m1/s1
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n/an/an/an/a 660n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human alpha2beta2 nAChR expressed in HEK cells preincubated for 15 mins followed by dihydro-beta-erythroidine hydro...


Bioorg Med Chem Lett 27: 3207-3218 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.073
BindingDB Entry DOI: 10.7270/Q2MC92NR
More data for this
Ligand-Target Pair
Acetylcholine receptor subunit alpha/Neuronal acetylcholine receptor subunit beta-4


(Homo sapiens (Human))
BDBM50052593
PNG
(3-Ethynyl-5-((S)-1-methyl-azetidin-2-yl)-pyridine ...)
Show SMILES CN1CCC[C@H]1c1cncc(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/t12-/m0/s1
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n/an/an/an/a 5.00E+3n/an/an/an/a



SIBIA Neurosciences Inc.

Curated by PDSP Ki Database


Assay Description
The compound was tested on recombinant human alpha2-beta4 cell lines of Human embryonic kidney for nicotinic acetylcholine receptor agonist functiona...


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 subunit alpha/Neuronal acetylcholine receptor subunit beta-4


(Homo sapiens (Human))
BDBM50052593
PNG
(3-Ethynyl-5-((S)-1-methyl-azetidin-2-yl)-pyridine ...)
Show SMILES CN1CCC[C@H]1c1cncc(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/t12-/m0/s1
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n/an/an/an/a 5.00E+3n/an/an/an/a



SIBIA Neurosciences Inc.

Curated by PDSP Ki Database


Assay Description
The compound was tested on recombinant human alpha2-beta4 cell lines of Human embryonic kidney for nicotinic acetylcholine receptor agonist functiona...


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 subunit alpha/Neuronal acetylcholine receptor subunit beta-4


(Homo sapiens (Human))
BDBM50369150
PNG
(CHEMBL1788226)
Show SMILES CN1CCC[C@@H]1c1cncc(c1)C#C |r|
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/t12-/m1/s1
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n/an/an/an/a 9.00E+3n/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 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/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 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/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 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/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 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/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 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/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 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/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 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/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 subunit alpha/Neuronal acetylcholine receptor subunit beta-4


(Homo sapiens (Human))
BDBM82070
PNG
(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)
Show SMILES CN1CCC[C@H]1c1cccnc1 |r|
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/an/an/a 1.00E+4n/an/an/an/a



SIBIA Neurosciences Inc.

Curated by PDSP Ki Database


Assay Description
The compound was tested on recombinant human alpha2-beta4 cell lines of Human embryonic kidney for nicotinic acetylcholine receptor agonist functiona...


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 subunit alpha/Neuronal acetylcholine receptor subunit beta-4


(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 1.50E+4n/an/an/an/a



SIBIA Neurosciences Inc.

Curated by PDSP Ki Database


Assay Description
The compound was tested on recombinant human alpha4-beta4 cell lines of Human embryonic kidney for nicotinic acetylcholine receptor agonist functiona...


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 subunit alpha/Neuronal acetylcholine receptor subunit beta-4


(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 1.50E+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 subunit alpha


(Homo sapiens (Human))
BDBM50238419
PNG
(CHEMBL4060134)
Show SMILES Cn1cnc(c1)C(=O)N1CCN(CC1)C(=O)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1
Show InChI InChI=1S/C24H22N10O2/c1-31-14-19(25-15-31)24(36)33-12-10-32(11-13-33)23(35)16-6-8-17(9-7-16)26-21-22-28-29-30-34(22)20-5-3-2-4-18(20)27-21/h2-9,14-15H,10-13H2,1H3,(H,26,27)
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n/an/an/an/a 2.00E+4n/an/an/an/a



A GlaxoSmithKline Company

Curated by ChEMBL


Assay Description
Inhibition of human alpha1 nAChR


J Med Chem 60: 5455-5471 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00137
BindingDB Entry DOI: 10.7270/Q2X350RS
More data for this
Ligand-Target Pair
Acetylcholine receptor subunit alpha/Neuronal acetylcholine receptor subunit beta-4


(Homo sapiens (Human))
BDBM50369150
PNG
(CHEMBL1788226)
Show SMILES CN1CCC[C@@H]1c1cncc(c1)C#C |r|
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/t12-/m1/s1
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n/an/an/an/a 2.90E+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 subunit alpha


(Homo sapiens (Human))
BDBM50049756
PNG
(3-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-pyridine |...)
Show SMILES CN1CCC[C@H]1COc1cccnc1
Show InChI InChI=1S/C11H16N2O/c1-13-7-3-4-10(13)9-14-11-5-2-6-12-8-11/h2,5-6,8,10H,3-4,7,9H2,1H3/t10-/m0/s1
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n/an/an/an/a 3.40E+4n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for functional activity against alpha1 neuronal nicotinic acetylcholine receptor(nAChR) expressed in TE671 cells using isotopic rubidium efflu...


Bioorg Med Chem Lett 7: 2703-2708 (1997)


Article DOI: 10.1016/S0960-894X(97)10080-4
BindingDB Entry DOI: 10.7270/Q2Z60P30
More data for this
Ligand-Target Pair
Acetylcholine receptor subunit alpha/beta/delta/gamma


(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 subunit alpha/beta/delta/gamma


(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 subunit alpha/beta/delta/epsilon


(Homo sapiens (Human))
BDBM50232596
PNG
(CHEMBL4064914)
Show SMILES C1N=C(Nc2ccncn2)OC11CN2CCC1CC2 |t:1,TLB:10:11:15.14:17.18,THB:0:11:15.14:17.18,(5.42,-16.68,;6.57,-15.65,;5.95,-14.24,;6.72,-12.9,;8.26,-12.91,;9.02,-11.57,;10.56,-11.57,;11.33,-12.91,;10.57,-14.24,;9.03,-14.24,;4.41,-14.4,;4.09,-15.9,;4.08,-17.32,;1.91,-16.78,;1.92,-14.98,;2.49,-13.7,;2.56,-15.23,;1.16,-15.99,;.84,-17.55,)|
Show InChI InChI=1S/C13H17N5O/c1-4-14-9-16-11(1)17-12-15-7-13(19-12)8-18-5-2-10(13)3-6-18/h1,4,9-10H,2-3,5-8H2,(H,14,15,16,17)
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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
Acetylcholine receptor subunit alpha/beta/delta/epsilon


(Homo sapiens (Human))
BDBM50232612
PNG
(CHEMBL4098850)
Show SMILES C1N=C(Nc2cc3cccnc3cn2)O[C@]11CN2CCC1CC2 |r,wU:15.16,t:1,TLB:14:15:19.18:21.22,THB:0:15:19.18:21.22,(16.97,-7.96,;18.11,-6.94,;17.49,-5.53,;18.26,-4.19,;19.81,-4.2,;20.57,-2.86,;22.11,-2.86,;22.87,-1.52,;24.41,-1.52,;25.19,-2.86,;24.42,-4.2,;22.88,-4.2,;22.11,-5.53,;20.57,-5.53,;15.96,-5.69,;15.64,-7.19,;15.62,-8.6,;13.46,-8.07,;13.47,-6.27,;14.04,-4.99,;14.11,-6.52,;12.71,-7.28,;12.39,-8.83,)|
Show InChI InChI=1S/C17H19N5O/c1-2-12-8-15(19-9-14(12)18-5-1)21-16-20-10-17(23-16)11-22-6-3-13(17)4-7-22/h1-2,5,8-9,13H,3-4,6-7,10-11H2,(H,19,20,21)/t17-/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
Acetylcholine receptor subunit alpha/beta/delta/epsilon


(Homo sapiens (Human))
BDBM50232609
PNG
(CHEMBL4098776)
Show SMILES C1N=C(Nc2nccc(n2)-c2ccccc2)O[C@]11CN2CCC1CC2 |r,wU:17.18,t:1,TLB:16:17:21.20:23.24,THB:0:17:21.20:23.24,(38.44,-28.23,;39.58,-27.21,;38.96,-25.8,;39.73,-24.47,;41.27,-24.47,;42.04,-25.8,;43.58,-25.8,;44.34,-24.47,;43.57,-23.13,;42.04,-23.13,;44.34,-21.8,;45.89,-21.8,;46.66,-20.47,;45.88,-19.13,;44.33,-19.13,;43.57,-20.47,;37.43,-25.96,;37.11,-27.46,;37.09,-28.88,;34.93,-28.34,;34.94,-26.54,;35.51,-25.27,;35.58,-26.79,;34.18,-27.55,;33.86,-29.1,)|
Show InChI InChI=1S/C19H21N5O/c1-2-4-14(5-3-1)16-6-9-20-17(22-16)23-18-21-12-19(25-18)13-24-10-7-15(19)8-11-24/h1-6,9,15H,7-8,10-13H2,(H,20,21,22,23)/t19-/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
Acetylcholine receptor subunit alpha/beta/delta/epsilon


(Homo sapiens (Human))
BDBM50232615
PNG
(CHEMBL4091037)
Show SMILES Cc1nccnc1NC1=NC[C@@]2(CN3CCC2CC3)O1 |r,wU:11.21,t:9,TLB:19:11:15.14:17.18,THB:10:11:15.14:17.18,(8.41,-30.01,;9.19,-31.34,;10.73,-31.33,;11.5,-32.68,;10.73,-34.01,;9.19,-34.01,;8.42,-32.67,;6.88,-32.67,;6.11,-34.01,;6.73,-35.42,;5.59,-36.44,;4.25,-35.67,;4.24,-37.09,;2.07,-36.55,;2.08,-34.75,;2.65,-33.47,;2.73,-35,;1.33,-35.76,;1,-37.31,;4.58,-34.17,)|
Show InChI InChI=1S/C14H19N5O/c1-10-12(16-5-4-15-10)18-13-17-8-14(20-13)9-19-6-2-11(14)3-7-19/h4-5,11H,2-3,6-9H2,1H3,(H,16,17,18)/t14-/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
Acetylcholine receptor subunit alpha/beta/delta/epsilon


(Homo sapiens (Human))
BDBM50232593
PNG
(CHEMBL4087500)
Show SMILES C1N=C(Nc2cnccn2)OC11CN2CCC1CC2 |t:1,TLB:10:11:15.14:17.18,THB:0:11:15.14:17.18,(28.22,-17.23,;29.37,-16.2,;28.74,-14.79,;29.51,-13.46,;31.06,-13.46,;31.82,-12.12,;33.36,-12.12,;34.13,-13.46,;33.36,-14.8,;31.82,-14.79,;27.21,-14.95,;26.89,-16.46,;26.87,-17.87,;24.71,-17.34,;24.72,-15.53,;25.28,-14.26,;25.36,-15.78,;23.96,-16.54,;23.64,-18.1,)|
Show InChI InChI=1S/C13H17N5O/c1-5-18-6-2-10(1)13(9-18)8-16-12(19-13)17-11-7-14-3-4-15-11/h3-4,7,10H,1-2,5-6,8-9H2,(H,15,16,17)
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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
Acetylcholine receptor subunit alpha/beta/delta/epsilon


(Homo sapiens (Human))
BDBM50232613
PNG
(CHEMBL4061082)
Show SMILES Cc1cnc(NC2=NC[C@@]3(CN4CCC3CC4)O2)nc1 |r,wU:9.18,t:6,TLB:17:9:13.12:15.16,THB:8:9:13.12:15.16,(22.65,-23.58,;21.11,-23.58,;20.35,-24.92,;18.81,-24.91,;18.04,-23.58,;16.5,-23.58,;15.73,-24.91,;16.35,-26.32,;15.21,-27.34,;13.88,-26.57,;13.86,-27.99,;11.7,-27.45,;11.71,-25.65,;12.27,-24.38,;12.35,-25.9,;10.95,-26.66,;10.63,-28.21,;14.2,-25.07,;18.8,-22.24,;20.34,-22.24,)|
Show InChI InChI=1S/C14H19N5O/c1-10-6-15-12(16-7-10)18-13-17-8-14(20-13)9-19-4-2-11(14)3-5-19/h6-7,11H,2-5,8-9H2,1H3,(H,15,16,17,18)/t14-/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
Acetylcholine receptor subunit alpha/beta/delta/epsilon


(Homo sapiens (Human))
BDBM50211215
PNG
(CHEMBL3898922)
Show SMILES C1N=C(Nc2ccccn2)O[C@]11CN2CCC1CC2 |r,wU:11.11,t:1,THB:10:11:14.15:18.17,(46.07,-8.61,;46.9,-7.32,;45.93,-6.12,;46.33,-4.64,;47.81,-4.23,;48.2,-2.75,;49.68,-2.35,;50.78,-3.44,;50.38,-4.92,;48.9,-5.33,;44.5,-6.68,;44.58,-8.22,;44.88,-9.74,;43.39,-9.05,;41.73,-9.76,;41.51,-8.26,;43.11,-7.57,;43.19,-5.78,;43.67,-6.99,)|
Show InChI InChI=1S/C14H18N4O/c1-2-6-15-12(3-1)17-13-16-9-14(19-13)10-18-7-4-11(14)5-8-18/h1-3,6,11H,4-5,7-10H2,(H,15,16,17)/t14-/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
Acetylcholine receptor subunit alpha/beta/delta/epsilon


(Homo sapiens (Human))
BDBM50232597
PNG
(CHEMBL4092614)
Show SMILES C1N=C(Nc2cncnc2)O[C@]11CN2CCC1CC2 |r,wU:11.11,t:1,TLB:10:11:15.14:17.18,THB:0:11:15.14:17.18,(16.17,-17.15,;17.32,-16.12,;16.69,-14.71,;17.47,-13.38,;19.01,-13.38,;19.77,-14.72,;21.32,-14.72,;22.08,-13.38,;21.31,-12.04,;19.77,-12.05,;15.16,-14.87,;14.84,-16.38,;14.83,-17.79,;12.66,-17.26,;12.67,-15.46,;13.24,-14.18,;13.31,-15.71,;11.91,-16.47,;11.59,-18.02,)|
Show InChI InChI=1S/C13H17N5O/c1-3-18-4-2-10(1)13(8-18)7-16-12(19-13)17-11-5-14-9-15-6-11/h5-6,9-10H,1-4,7-8H2,(H,16,17)/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
Acetylcholine receptor subunit alpha/beta/delta/epsilon


(Homo sapiens (Human))
BDBM50206243
PNG
(CHEMBL3918431)
Show SMILES C1N=C(Nc2cc3ccccc3cn2)O[C@]11CN2CCC1CC2 |r,wU:15.16,t:1,TLB:14:15:18.19:22.21,THB:0:15:18.19:22.21,(17.63,-8.02,;19,-7.33,;18.76,-5.81,;19.85,-4.72,;21.34,-5.11,;22.41,-4.02,;23.9,-4.41,;24.98,-3.32,;26.47,-3.71,;26.88,-5.2,;25.79,-6.3,;24.3,-5.9,;23.22,-7,;21.73,-6.6,;17.24,-5.56,;16.54,-6.93,;15.8,-8.21,;14.52,-7.62,;14.52,-5.71,;15.36,-4.63,;15.36,-6.25,;13.79,-6.93,;13,-8.11,)|
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 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
Acetylcholine receptor subunit alpha/beta/delta/epsilon


(Homo sapiens (Human))
BDBM50232604
PNG
(CHEMBL4093500)
Show SMILES C1N=C(Nc2cnc(cn2)-c2ccccc2)O[C@]11CN2CCC1CC2 |r,wU:17.18,t:1,TLB:16:17:21.20:23.24,THB:0:17:21.20:23.24,(5.45,-45.54,;6.6,-44.51,;5.98,-43.11,;6.75,-41.77,;8.29,-41.77,;9.05,-40.44,;10.59,-40.43,;11.36,-41.77,;10.6,-43.11,;9.06,-43.11,;12.9,-41.77,;13.67,-43.11,;15.21,-43.11,;15.99,-41.77,;15.21,-40.43,;13.67,-40.44,;4.44,-43.26,;4.12,-44.77,;4.11,-46.18,;1.94,-45.65,;1.95,-43.85,;2.52,-42.57,;2.59,-44.1,;1.2,-44.86,;.87,-46.41,)|
Show InChI InChI=1S/C19H21N5O/c1-2-4-14(5-3-1)16-10-21-17(11-20-16)23-18-22-12-19(25-18)13-24-8-6-15(19)7-9-24/h1-5,10-11,15H,6-9,12-13H2,(H,21,22,23)/t19-/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
Acetylcholine receptor subunit alpha/beta/delta/epsilon


(Homo sapiens (Human))
BDBM50232603
PNG
(CHEMBL4075880)
Show SMILES Cc1cc(NC2=NC[C@@]3(CN4CCC3CC4)O2)ncn1 |r,wU:8.17,t:5,TLB:16:8:12.11:14.15,THB:7:8:12.11:14.15,(24.2,-40.79,;23.43,-42.13,;21.89,-42.13,;21.13,-43.47,;19.59,-43.46,;18.81,-44.8,;19.44,-46.21,;18.29,-47.24,;16.96,-46.47,;16.95,-47.88,;14.78,-47.34,;14.79,-45.54,;15.36,-44.27,;15.43,-45.79,;14.03,-46.55,;13.71,-48.11,;17.28,-44.96,;21.89,-44.8,;23.44,-44.81,;24.2,-43.47,)|
Show InChI InChI=1S/C14H19N5O/c1-10-6-12(17-9-16-10)18-13-15-7-14(20-13)8-19-4-2-11(14)3-5-19/h6,9,11H,2-5,7-8H2,1H3,(H,15,16,17,18)/t14-/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
Acetylcholine receptor subunit alpha/beta/delta/epsilon


(Homo sapiens (Human))
BDBM50232605
PNG
(CHEMBL4077222)
Show SMILES Clc1cnc(NC2=NC[C@@]3(CN4CCC3CC4)O2)cn1 |r,wU:9.18,t:6,TLB:17:9:13.12:15.16,THB:8:9:13.12:15.16,(59.32,-34.01,;57.78,-34.01,;57.01,-35.35,;55.47,-35.35,;54.7,-34.01,;53.16,-34.01,;52.39,-35.34,;53.01,-36.75,;51.87,-37.78,;50.53,-37.01,;50.52,-38.42,;48.35,-37.89,;48.36,-36.08,;48.93,-34.81,;49,-36.34,;47.61,-37.09,;47.28,-38.65,;50.85,-35.5,;55.47,-32.67,;57,-32.67,)|
Show InChI InChI=1S/C13H16ClN5O/c14-10-5-16-11(6-15-10)18-12-17-7-13(20-12)8-19-3-1-9(13)2-4-19/h5-6,9H,1-4,7-8H2,(H,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
Acetylcholine receptor subunit alpha/beta/delta/epsilon


(Homo sapiens (Human))
BDBM50232614
PNG
(CHEMBL4102804)
Show SMILES C1N=C(Nc2cnccn2)O[C@]11CN2CCC1CC2 |r,wU:11.11,t:1,TLB:10:11:15.14:17.18,THB:0:11:15.14:17.18,(28.22,-17.23,;29.37,-16.2,;28.74,-14.79,;29.51,-13.46,;31.06,-13.46,;31.82,-12.12,;33.36,-12.12,;34.13,-13.46,;33.36,-14.8,;31.82,-14.79,;27.21,-14.95,;26.89,-16.46,;26.87,-17.87,;24.71,-17.34,;24.72,-15.53,;25.28,-14.26,;25.36,-15.78,;23.96,-16.54,;23.64,-18.1,)|
Show InChI InChI=1S/C13H17N5O/c1-5-18-6-2-10(1)13(9-18)8-16-12(19-13)17-11-7-14-3-4-15-11/h3-4,7,10H,1-2,5-6,8-9H2,(H,15,16,17)/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
Acetylcholine receptor subunit alpha/beta/delta/epsilon


(Homo sapiens (Human))
BDBM50232608
PNG
(CHEMBL4071766)
Show SMILES Cc1cccc(c1)-c1cnc(NC2=NC[C@@]3(CN4CCC3CC4)O2)nc1 |r,wU:15.25,t:13,TLB:23:15:19.18:21.22,THB:14:15:19.18:21.22,(60.25,-21.45,;59.49,-22.79,;60.27,-24.13,;59.49,-25.47,;57.95,-25.47,;57.18,-24.13,;57.95,-22.8,;55.65,-24.13,;54.88,-25.47,;53.34,-25.47,;52.58,-24.13,;51.04,-24.13,;50.27,-25.46,;50.89,-26.87,;49.75,-27.9,;48.42,-27.13,;48.4,-28.54,;46.24,-28.01,;46.25,-26.21,;46.81,-24.93,;46.89,-26.46,;45.49,-27.21,;45.17,-28.77,;48.74,-25.62,;53.34,-22.8,;54.88,-22.79,)|
Show InChI InChI=1S/C20H23N5O/c1-14-3-2-4-15(9-14)16-10-21-18(22-11-16)24-19-23-12-20(26-19)13-25-7-5-17(20)6-8-25/h2-4,9-11,17H,5-8,12-13H2,1H3,(H,21,22,23,24)/t20-/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
Acetylcholine receptor subunit alpha/beta/delta/epsilon


(Homo sapiens (Human))
BDBM50232607
PNG
(CHEMBL4063152)
Show SMILES Cc1cnc(NC2=NC[C@@]3(CN4CCC3CC4)O2)cn1 |r,wU:9.18,t:6,TLB:17:9:13.12:15.16,THB:8:9:13.12:15.16,(23.81,-33.08,;22.27,-33.08,;21.5,-34.42,;19.96,-34.42,;19.19,-33.08,;17.65,-33.08,;16.88,-34.41,;17.5,-35.82,;16.36,-36.85,;15.02,-36.08,;15.01,-37.49,;12.84,-36.96,;12.85,-35.15,;13.42,-33.88,;13.5,-35.41,;12.1,-36.16,;11.77,-37.72,;15.35,-34.57,;19.96,-31.74,;21.5,-31.74,)|
Show InChI InChI=1S/C14H19N5O/c1-10-6-16-12(7-15-10)18-13-17-8-14(20-13)9-19-4-2-11(14)3-5-19/h6-7,11H,2-5,8-9H2,1H3,(H,16,17,18)/t14-/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
Acetylcholine receptor subunit alpha/beta/delta/epsilon


(Homo sapiens (Human))
BDBM50232610
PNG
(CHEMBL4089244)
Show SMILES COc1cnc(NC2=NC[C@@]3(CN4CCC3CC4)O2)nc1 |r,wU:10.19,t:7,TLB:18:10:14.13:16.17,THB:9:10:14.13:16.17,(35.32,-21.48,;34.55,-22.82,;33.02,-22.82,;32.25,-24.16,;30.71,-24.16,;29.95,-22.82,;28.4,-22.82,;27.63,-24.15,;28.26,-25.56,;27.11,-26.59,;25.78,-25.82,;25.77,-27.23,;23.6,-26.69,;23.61,-24.89,;24.18,-23.62,;24.25,-25.14,;22.86,-25.9,;22.53,-27.46,;26.1,-24.31,;30.71,-21.49,;32.25,-21.48,)|
Show InChI InChI=1S/C14H19N5O2/c1-20-11-6-15-12(16-7-11)18-13-17-8-14(21-13)9-19-4-2-10(14)3-5-19/h6-7,10H,2-5,8-9H2,1H3,(H,15,16,17,18)/t14-/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
Acetylcholine receptor subunit alpha/beta/delta/epsilon


(Homo sapiens (Human))
BDBM50232595
PNG
(CHEMBL4100355)
Show SMILES C1N=C(Nc2ncccn2)O[C@]11CN2CCC1CC2 |r,wU:11.11,t:1,TLB:10:11:15.14:17.18,THB:0:11:15.14:17.18,(52.08,-7.56,;53.22,-6.53,;52.6,-5.12,;53.37,-3.79,;54.91,-3.79,;55.68,-5.13,;57.22,-5.13,;57.98,-3.79,;57.21,-2.45,;55.68,-2.46,;51.07,-5.28,;50.75,-6.79,;50.73,-8.2,;48.57,-7.67,;48.58,-5.86,;49.15,-4.59,;49.22,-6.12,;47.82,-6.87,;47.5,-8.43,)|
Show InChI InChI=1S/C13H17N5O/c1-4-14-11(15-5-1)17-12-16-8-13(19-12)9-18-6-2-10(13)3-7-18/h1,4-5,10H,2-3,6-9H2,(H,14,15,16,17)/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
Acetylcholine receptor subunit alpha/beta/delta/epsilon


(Homo sapiens (Human))
BDBM50232598
PNG
(CHEMBL4084852)
Show SMILES Cc1ccnc(NC2=NC[C@@]3(CN4CCC3CC4)O2)n1 |r,wU:10.19,t:7,TLB:18:10:14.13:16.17,THB:9:10:14.13:16.17,(45.92,-10.63,;45.15,-11.97,;45.92,-13.31,;45.15,-14.64,;43.61,-14.64,;42.85,-13.3,;41.31,-13.3,;40.53,-14.64,;41.16,-16.04,;40.01,-17.07,;38.68,-16.3,;38.67,-17.71,;36.5,-17.18,;36.51,-15.38,;37.08,-14.1,;37.15,-15.63,;35.76,-16.39,;35.43,-17.94,;39,-14.8,;43.61,-11.97,)|
Show InChI InChI=1S/C14H19N5O/c1-10-2-5-15-12(17-10)18-13-16-8-14(20-13)9-19-6-3-11(14)4-7-19/h2,5,11H,3-4,6-9H2,1H3,(H,15,16,17,18)/t14-/m0/s1
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Reactome pathway
KEGG

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antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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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