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Compile Data Set for Download or QSAR

Found 274 hits of ic50 for UniProtKB: Q05941   
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
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50454430
PNG
(Nudicauline)
Show SMILES [H][C@]12CC3C([C@H]1OC(C)=O)[C@](O)(C[C@@H]2OC)[C@@]1(O)[C@@H](OC)C2[C@]33C1N(CC)C[C@]2(COC(=O)c1ccccc1N1C(=O)C[C@H](C)C1=O)CC[C@@H]3OC |TLB:16:23:21:49.47.48,3:22:16.18:28.24.27,THB:25:24:21:49.47.48,49:22:16.18:28.24.27,6:5:3.2:10.12.13,24:23:10.4.3:21.18|
Show InChI InChI=1S/C38H50N2O11/c1-7-39-17-35(18-50-33(44)21-10-8-9-11-24(21)40-27(42)14-19(2)32(40)43)13-12-26(48-5)37-23-15-22-25(47-4)16-36(45,28(23)29(22)51-20(3)41)38(46,34(37)39)31(49-6)30(35)37/h8-11,19,22-23,25-26,28-31,34,45-46H,7,12-18H2,1-6H3/t19-,22+,23?,25-,26-,28?,29-,30?,31-,34?,35-,36+,37-,38+/m0/s1
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n/an/a 1.70n/an/an/an/an/an/a



School of Pharmacy and Pharmacology

Curated by ChEMBL


Assay Description
Binding affinity of Norditerpenoid Alkaloids at rat neuronal alpha7-type nicotinic acetylcholine receptor

J Med Chem 39: 4860-6 (1997)


Article DOI: 10.1021/jm9604991
BindingDB Entry DOI: 10.7270/Q2BP03FP
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50587087
PNG
(CHEMBL5070268)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]2CSSC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O)C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N2 |r|
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n/an/a 2n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at rat alpha7 nAChR expressed in xenopus oocytes assessed as inhibition of Ach- induced response at -70 mV holding potential prei...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02079
BindingDB Entry DOI: 10.7270/Q2R78K4Q
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50016200
PNG
(CHEMBL3262146)
Show SMILES Cl.Clc1cnc2nc(sc2c1)N1CCNCC1COc1cccnc1
Show InChI InChI=1S/C16H16ClN5OS.ClH/c17-11-6-14-15(20-7-11)21-16(24-14)22-5-4-19-8-12(22)10-23-13-2-1-3-18-9-13;/h1-3,6-7,9,12,19H,4-5,8,10H2;1H
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n/an/a 4n/an/an/an/an/an/a



Critical Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of biotinylated alpha-bungarotoxin binding to alpha7 nAChR in rat PC12 cells by FACS analysis

J Med Chem 57: 3966-83 (2014)


Article DOI: 10.1021/jm5004599
BindingDB Entry DOI: 10.7270/Q2CV4K8S
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50016184
PNG
(CHEMBL3262131)
Show SMILES Cl.C(Oc1cccnc1)C1CNCCN1c1nc2ncccc2o1
Show InChI InChI=1S/C16H17N5O2.ClH/c1-3-13(10-17-5-1)22-11-12-9-18-7-8-21(12)16-20-15-14(23-16)4-2-6-19-15;/h1-6,10,12,18H,7-9,11H2;1H
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n/an/a 4n/an/an/an/an/an/a



Critical Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of biotinylated alpha-bungarotoxin binding to alpha7 nAChR in rat PC12 cells by FACS analysis

J Med Chem 57: 3966-83 (2014)


Article DOI: 10.1021/jm5004599
BindingDB Entry DOI: 10.7270/Q2CV4K8S
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50587095
PNG
(CHEMBL5084339)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O)C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N2 |r|
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n/an/a 5n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at rat alpha7 nAChR expressed in xenopus oocytes assessed as inhibition of Ach- induced response at -80 mV holding potential incu...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02079
BindingDB Entry DOI: 10.7270/Q2R78K4Q
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50016185
PNG
(CHEMBL3262132)
Show SMILES Cl.C(Oc1cccnc1)[C@H]1CNCCN1c1nc2ncccc2o1 |r|
Show InChI InChI=1S/C16H17N5O2.ClH/c1-3-13(10-17-5-1)22-11-12-9-18-7-8-21(12)16-20-15-14(23-16)4-2-6-19-15;/h1-6,10,12,18H,7-9,11H2;1H/t12-;/m1./s1
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n/an/a 5.5n/an/an/an/an/an/a



Critical Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of biotinylated alpha-bungarotoxin binding to alpha7 nAChR in rat PC12 cells by FACS analysis

J Med Chem 57: 3966-83 (2014)


Article DOI: 10.1021/jm5004599
BindingDB Entry DOI: 10.7270/Q2CV4K8S
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50587086
PNG
(CHEMBL5076977)
Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@H]1CSSC[C@H]2NC(=O)[C@H](C)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC2=O)C(C)C)C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O)NC1=O |r|
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n/an/a 6n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at rat alpha7 nAChR expressed in xenopus oocytes assessed as inhibition of Ach- induced response at -70 mV holding potential prei...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02079
BindingDB Entry DOI: 10.7270/Q2R78K4Q
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50454436
PNG
(Elatine)
Show SMILES [H][C@]12C[C@]3([H])[C@]([H])([C@H]1OC)[C@@]1(C[C@@H]2OC)OCO[C@]11[C@@H](OC)[C@@]2([H])[C@]33C1N(CC)C[C@]2(COC(=O)c1ccccc1N1C(=O)C[C@H](C)C1=O)CC[C@@H]3OC |r,TLB:18:25:22:51.50.49,3:24:18.19:30.29.26,THB:26:25:19.22:10.3.5,8:7:3.2:10.12.11,51:24:18.19:30.29.26,27:26:22:51.50.49|
Show InChI InChI=1S/C38H50N2O10/c1-7-39-17-35(18-48-33(43)21-10-8-9-11-24(21)40-27(41)14-20(2)32(40)42)13-12-26(45-4)37-23-15-22-25(44-3)16-36(28(23)29(22)46-5)38(34(37)39,50-19-49-36)31(47-6)30(35)37/h8-11,20,22-23,25-26,28-31,34H,7,12-19H2,1-6H3/t20-,22+,23+,25-,26-,28+,29-,30+,31-,34?,35-,36+,37-,38-/m0/s1
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n/an/a 6.10n/an/an/an/an/an/a



School of Pharmacy and Pharmacology

Curated by ChEMBL


Assay Description
Binding affinity of Norditerpenoid Alkaloids at rat neuronal alpha7-type nicotinic acetylcholine receptor

J Med Chem 39: 4860-6 (1997)


Article DOI: 10.1021/jm9604991
BindingDB Entry DOI: 10.7270/Q2BP03FP
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50366779
PNG
(METHYLLYCACONITINE)
Show SMILES CCN1C[C@]2(COC(=O)c3ccccc3-n3c(O)cc(C)c3O)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@](O)([C@@H](OC)[C@H]23)[C@H]14 |r,wU:4.4,48.54,44.48,42.46,36.39,39.43,wD:28.52,35.36,31.32,29.31,47.50,25.27,32.34,TLB:23:4:28:44.42,4:47:36.29.35:48,1:2:28:44.42,45:44:36.29.35:48,44:47:24.23.25:3.48.2,42:36:32:29.30,THB:37:36:32:29.30,40:39:32:29.30,5:4:28:44.42,(5.29,-1.99,;6.48,-1.02,;7.91,-1.57,;7.91,-4.71,;8.6,-3.19,;9.67,-4.27,;9.27,-5.75,;10.35,-6.84,;11.83,-6.45,;9.94,-8.32,;8.46,-8.7,;8.06,-10.18,;9.14,-11.27,;10.63,-10.87,;11.02,-9.39,;12.51,-8.99,;13.7,-9.95,;13.62,-11.48,;14.98,-9.12,;14.58,-7.64,;15.55,-6.45,;13.05,-7.56,;11.52,-7.55,;7.27,-2.43,;7.27,-.88,;8.6,-.11,;8.59,1.42,;7.27,2.19,;9.93,-.88,;11.13,.09,;10.97,1.62,;12.38,2.24,;13.41,1.1,;17.14,1.1,;17.91,-.25,;12.64,-.24,;13.31,-1.62,;14.39,-2.7,;15.18,-1.64,;15.11,2.18,;16.19,3.26,;15.8,4.74,;12.66,-3.02,;13.74,-4.1,;11.15,-3.38,;10.82,-4.87,;12.29,-5.26,;9.94,-2.42,;9.88,1.15,)|
Show InChI InChI=1S/C37H50N2O10/c1-7-38-17-34(18-49-32(42)20-10-8-9-11-23(20)39-26(40)14-19(2)31(39)41)13-12-25(46-4)36-22-15-21-24(45-3)16-35(43,27(22)28(21)47-5)37(44,33(36)38)30(48-6)29(34)36/h8-11,14,21-22,24-25,27-30,33,40-41,43-44H,7,12-13,15-18H2,1-6H3/t21-,22-,24+,25+,27-,28+,29-,30+,33-,34+,35-,36+,37+/m1/s1
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n/an/a 8n/an/an/an/an/an/a



School of Pharmacy and Pharmacology

Curated by ChEMBL


Assay Description
Binding affinity of Norditerpenoid Alkaloids at rat neuronal alpha7-type nicotinic acetylcholine receptor

J Med Chem 39: 4860-6 (1997)


Article DOI: 10.1021/jm9604991
BindingDB Entry DOI: 10.7270/Q2BP03FP
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50016209
PNG
(CHEMBL3262155)
Show SMILES Cl.Clc1ccc(OC(=O)N2CCNCC2COc2cccnc2)cc1
Show InChI InChI=1S/C17H18ClN3O3.ClH/c18-13-3-5-15(6-4-13)24-17(22)21-9-8-20-10-14(21)12-23-16-2-1-7-19-11-16;/h1-7,11,14,20H,8-10,12H2;1H
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n/an/a 9.5n/an/an/an/an/an/a



Critical Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of biotinylated alpha-bungarotoxin binding to alpha7 nAChR in rat PC12 cells by FACS analysis

J Med Chem 57: 3966-83 (2014)


Article DOI: 10.1021/jm5004599
BindingDB Entry DOI: 10.7270/Q2CV4K8S
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50081729
PNG
(4-{5-[1-Aza-bicyclo[2.2.2]oct-(3Z)-ylidenemethyl]-...)
Show SMILES N#Cc1ccc(cc1)-c1cc(\C=C2/CN3CCC2CC3)on1 |(17.18,-15.18,;15.63,-15.18,;14.07,-15.18,;13.29,-16.5,;11.75,-16.48,;11,-15.15,;11.78,-13.82,;13.3,-13.82,;9.48,-15.14,;8.57,-13.89,;7.11,-14.36,;5.77,-13.56,;4.39,-14.34,;4.39,-15.86,;3.06,-16.64,;1.75,-15.86,;1.75,-14.34,;3.06,-13.56,;2.31,-15.27,;3.8,-14.86,;7.1,-15.89,;8.56,-16.37,)|
Show InChI InChI=1S/C18H17N3O/c19-11-13-1-3-15(4-2-13)18-10-17(22-20-18)9-16-12-21-7-5-14(16)6-8-21/h1-4,9-10,14H,5-8,12H2/b16-9+
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n/an/a>10n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
The compound was tested for its binding affinity against nicotinic receptor in synaptic membrane fractions from rat cerebral cortices.

Bioorg Med Chem Lett 9: 2795-800 (1999)


BindingDB Entry DOI: 10.7270/Q26H4GM1
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50016210
PNG
(CHEMBL3262156)
Show SMILES Cl.COc1ccc(OC(=O)N2CCNCC2COc2cccnc2)cc1
Show InChI InChI=1S/C18H21N3O4.ClH/c1-23-15-4-6-16(7-5-15)25-18(22)21-10-9-20-11-14(21)13-24-17-3-2-8-19-12-17;/h2-8,12,14,20H,9-11,13H2,1H3;1H
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n/an/a 11n/an/an/an/an/an/a



Critical Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of biotinylated alpha-bungarotoxin binding to alpha7 nAChR in rat PC12 cells by FACS analysis

J Med Chem 57: 3966-83 (2014)


Article DOI: 10.1021/jm5004599
BindingDB Entry DOI: 10.7270/Q2CV4K8S
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50373059
PNG
(CHEMBL429317)
Show SMILES Cc1cc(on1)C(C=Nc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1 |w:7.7|
Show InChI InChI=1S/C19H15Cl2N3O2/c1-12-10-18(26-24-12)17(11-22-15-6-2-13(20)3-7-15)19(25)23-16-8-4-14(21)5-9-16/h2-11,17H,1H3,(H,23,25)
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n/an/a 12n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from alpha-7 nAChR in rat hipocampus

Proc Natl Acad Sci USA 104: 8059-64 (2007)


Article DOI: 10.1073/pnas.0701321104
BindingDB Entry DOI: 10.7270/Q2NS0VS3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50373059
PNG
(CHEMBL429317)
Show SMILES Cc1cc(on1)C(C=Nc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1 |w:7.7|
Show InChI InChI=1S/C19H15Cl2N3O2/c1-12-10-18(26-24-12)17(11-22-15-6-2-13(20)3-7-15)19(25)23-16-8-4-14(21)5-9-16/h2-11,17H,1H3,(H,23,25)
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n/an/a 12n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from alpha-7 nAChR in rat amygdala

Proc Natl Acad Sci USA 104: 8059-64 (2007)


Article DOI: 10.1073/pnas.0701321104
BindingDB Entry DOI: 10.7270/Q2NS0VS3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50081733
PNG
(3-(3-Methyl-isoxazol-5-ylmethylene)-1-aza-bicyclo[...)
Show SMILES Cc1cc(\C=C2/CN3CCC2CC3)on1 |THB:4:5:11.12:9.8,(26.44,-10.99,;26.13,-9.47,;24.73,-8.83,;24.91,-7.3,;23.77,-6.26,;22.3,-6.71,;22.6,-8.11,;21.23,-7.48,;19.68,-8.13,;19.47,-6.75,;20.96,-6.11,;21.02,-4.47,;21.48,-5.59,;26.43,-6.99,;27.19,-8.35,)|
Show InChI InChI=1S/C12H16N2O/c1-9-6-12(15-13-9)7-11-8-14-4-2-10(11)3-5-14/h6-7,10H,2-5,8H2,1H3/b11-7+
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n/an/a 12n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity against nicotinic receptor in synaptic membrane fractions from rat cerebral cortices.

Bioorg Med Chem Lett 9: 2795-800 (1999)


BindingDB Entry DOI: 10.7270/Q26H4GM1
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50016227
PNG
(CHEMBL3262173)
Show SMILES Cl.O=C(Nc1ccc(cc1)-c1ccccc1)N1CCNCC1COc1cccnc1
Show InChI InChI=1S/C23H24N4O2.ClH/c28-23(26-20-10-8-19(9-11-20)18-5-2-1-3-6-18)27-14-13-25-15-21(27)17-29-22-7-4-12-24-16-22;/h1-12,16,21,25H,13-15,17H2,(H,26,28);1H
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n/an/a 13n/an/an/an/an/an/a



Critical Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of biotinylated alpha-bungarotoxin binding to alpha7 nAChR in rat PC12 cells by FACS analysis

J Med Chem 57: 3966-83 (2014)


Article DOI: 10.1021/jm5004599
BindingDB Entry DOI: 10.7270/Q2CV4K8S
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50016225
PNG
(CHEMBL3262171)
Show SMILES Cl.Cc1cc(NC(=O)N2CCNCC2COc2cccnc2)ccc1Br
Show InChI InChI=1S/C18H21BrN4O2.ClH/c1-13-9-14(4-5-17(13)19)22-18(24)23-8-7-21-10-15(23)12-25-16-3-2-6-20-11-16;/h2-6,9,11,15,21H,7-8,10,12H2,1H3,(H,22,24);1H
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n/an/a 14n/an/an/an/an/an/a



Critical Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of biotinylated alpha-bungarotoxin binding to alpha7 nAChR in rat PC12 cells by FACS analysis

J Med Chem 57: 3966-83 (2014)


Article DOI: 10.1021/jm5004599
BindingDB Entry DOI: 10.7270/Q2CV4K8S
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))		BDBM248004
PNG
(US9434724, 13)
Show SMILES Fc1cccc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c12
Show InChI InChI=1S/C17H19FN2O2/c18-13-2-1-3-14-15(13)12(10-19-14)16(21)22-11-17-4-7-20(8-5-17)9-6-17/h1-3,10,19H,4-9,11H2
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US Patent
 12.2 -11.2 14.1n/an/an/an/a7.437



ALPHARMAGEN, LLC

US Patent


Assay Description
Protocol 1: The assay was conducted following the literature reference Meyer E. M., et al., Analysis of 3-(4-Hydroxy, 2-Methoxybenzylidene) Anabasein...

US Patent US9434724 (2016)


BindingDB Entry DOI: 10.7270/Q2M32TPW
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50516307
PNG
(CHEMBL4445542)
Show SMILES CCCC[C@@H]1NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@H](CCCCC(O)=O)NC1=O)[C@@H](C)CC)C(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N2 |r|
Show InChI InChI=1S/C72H107N23O21S4/c1-5-7-12-41-60(104)83-42(13-8-9-16-55(98)99)61(105)87-45(22-39-26-76-34-79-39)71(115)95-20-11-15-53(95)69(113)85-43(17-18-56(100)101)62(106)93-57(36(3)6-2)70(114)90-48(58(74)102)29-117-119-32-51-67(111)89-47(28-96)64(108)88-46(23-40-27-77-35-80-40)72(116)94-19-10-14-52(94)68(112)81-37(4)59(103)91-50(31-120-118-30-49(65(109)92-51)82-54(97)24-73)66(110)86-44(63(107)84-41)21-38-25-75-33-78-38/h25-27,33-37,41-53,57,96H,5-24,28-32,73H2,1-4H3,(H2,74,102)(H,75,78)(H,76,79)(H,77,80)(H,81,112)(H,82,97)(H,83,104)(H,84,107)(H,85,113)(H,86,110)(H,87,105)(H,88,108)(H,89,111)(H,90,114)(H,91,103)(H,92,109)(H,93,106)(H,98,99)(H,100,101)/t36-,37-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,57-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



Veterans Affairs Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at rat alpha7 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of Ach-induced response at -70 mV holding potentia...

J Med Chem 62: 6262-6275 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00566
BindingDB Entry DOI: 10.7270/Q2GQ7231
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))		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/a 16n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity against nicotinic receptor in synaptic membrane fractions from rat cerebral cortices.

Bioorg Med Chem Lett 9: 2795-800 (1999)


BindingDB Entry DOI: 10.7270/Q26H4GM1
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50016197
PNG
(CHEMBL3262143)
Show SMILES Cl.Fc1cccc2sc(nc12)N1CCNCC1COc1cccnc1
Show InChI InChI=1S/C17H17FN4OS.ClH/c18-14-4-1-5-15-16(14)21-17(24-15)22-8-7-20-9-12(22)11-23-13-3-2-6-19-10-13;/h1-6,10,12,20H,7-9,11H2;1H
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n/an/a 17n/an/an/an/an/an/a



Critical Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of biotinylated alpha-bungarotoxin binding to alpha7 nAChR in rat PC12 cells by FACS analysis

J Med Chem 57: 3966-83 (2014)


Article DOI: 10.1021/jm5004599
BindingDB Entry DOI: 10.7270/Q2CV4K8S
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50016198
PNG
(CHEMBL3262144)
Show SMILES Cl.Fc1cc(F)c2nc(sc2c1)N1CCNCC1COc1cccnc1
Show InChI InChI=1S/C17H16F2N4OS.ClH/c18-11-6-14(19)16-15(7-11)25-17(22-16)23-5-4-21-8-12(23)10-24-13-2-1-3-20-9-13;/h1-3,6-7,9,12,21H,4-5,8,10H2;1H
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n/an/a 19n/an/an/an/an/an/a



Critical Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of biotinylated alpha-bungarotoxin binding to alpha7 nAChR in rat PC12 cells by FACS analysis

J Med Chem 57: 3966-83 (2014)


Article DOI: 10.1021/jm5004599
BindingDB Entry DOI: 10.7270/Q2CV4K8S
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50516325
PNG
(CHEMBL4463089)
Show SMILES CCCC[C@@H]1NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@H](CCCCC(O)=O)NC1=O)C(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N2 |r|
Show InChI InChI=1S/C72H107N23O21S4/c1-5-6-11-41-60(104)83-42(12-7-8-15-56(98)99)61(105)88-46(22-39-26-76-34-79-39)71(115)95-19-10-14-54(95)70(114)85-43(16-17-57(100)101)62(106)86-44(20-36(2)3)63(107)91-49(58(74)102)29-117-119-32-52-68(112)90-48(28-96)65(109)89-47(23-40-27-77-35-80-40)72(116)94-18-9-13-53(94)69(113)81-37(4)59(103)92-51(31-120-118-30-50(66(110)93-52)82-55(97)24-73)67(111)87-45(64(108)84-41)21-38-25-75-33-78-38/h25-27,33-37,41-54,96H,5-24,28-32,73H2,1-4H3,(H2,74,102)(H,75,78)(H,76,79)(H,77,80)(H,81,113)(H,82,97)(H,83,104)(H,84,108)(H,85,114)(H,86,106)(H,87,111)(H,88,105)(H,89,109)(H,90,112)(H,91,107)(H,92,103)(H,93,110)(H,98,99)(H,100,101)/t37-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-/m0/s1
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n/an/a 19n/an/an/an/an/an/a



Veterans Affairs Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at rat alpha7 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of Ach-induced response at -70 mV holding potentia...

J Med Chem 62: 6262-6275 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00566
BindingDB Entry DOI: 10.7270/Q2GQ7231
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50016217
PNG
(CHEMBL3262163)
Show SMILES Cl.COc1ccc(NC(=O)N2CCNC[C@@H]2COc2cccnc2)cc1 |r|
Show InChI InChI=1S/C18H22N4O3.ClH/c1-24-16-6-4-14(5-7-16)21-18(23)22-10-9-20-11-15(22)13-25-17-3-2-8-19-12-17;/h2-8,12,15,20H,9-11,13H2,1H3,(H,21,23);1H/t15-;/m1./s1
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n/an/a 19n/an/an/an/an/an/a



Critical Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of biotinylated alpha-bungarotoxin binding to alpha7 nAChR in rat PC12 cells by FACS analysis

J Med Chem 57: 3966-83 (2014)


Article DOI: 10.1021/jm5004599
BindingDB Entry DOI: 10.7270/Q2CV4K8S
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50016179
PNG
(CHEMBL3262126)
Show SMILES Cl.COc1ccc2nc(oc2c1)N1CCNCC1COc1cccnc1
Show InChI InChI=1S/C18H20N4O3.ClH/c1-23-14-4-5-16-17(9-14)25-18(21-16)22-8-7-20-10-13(22)12-24-15-3-2-6-19-11-15;/h2-6,9,11,13,20H,7-8,10,12H2,1H3;1H
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n/an/a 22n/an/an/an/an/an/a



Critical Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of biotinylated alpha-bungarotoxin binding to alpha7 nAChR in rat PC12 cells by FACS analysis

J Med Chem 57: 3966-83 (2014)


Article DOI: 10.1021/jm5004599
BindingDB Entry DOI: 10.7270/Q2CV4K8S
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50149143
PNG
(3-(2-Benzo[b]thiophen-2-yl-ethyl)-1-aza-bicyclo[2....)
Show SMILES C(Cc1cc2ccccc2s1)C1CN2CCC1CC2 |(-1.35,1.7,;-.02,.93,;1.31,1.7,;2.75,1.14,;3.72,2.33,;5.26,2.4,;5.96,3.77,;5.12,5.08,;3.58,4.99,;2.88,3.63,;1.38,3.24,;-2.68,.93,;-2.68,-.61,;-4.01,-1.36,;-5.34,-.61,;-5.34,.93,;-4.01,1.72,;-4.64,.55,;-3.59,-.17,)|
Show InChI InChI=1S/C17H21NS/c1-2-4-17-14(3-1)11-16(19-17)6-5-15-12-18-9-7-13(15)8-10-18/h1-4,11,13,15H,5-10,12H2
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n/an/a 23n/an/an/an/an/an/a



Mitsubishi Pharma Corporation

Curated by ChEMBL


Assay Description
Alpha 7 nicotinic acetylcholine receptor binding activity in PC12 cells

Bioorg Med Chem Lett 14: 3781-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.091
BindingDB Entry DOI: 10.7270/Q2X066G1
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50149143
PNG
(3-(2-Benzo[b]thiophen-2-yl-ethyl)-1-aza-bicyclo[2....)
Show SMILES C(Cc1cc2ccccc2s1)C1CN2CCC1CC2 |(-1.35,1.7,;-.02,.93,;1.31,1.7,;2.75,1.14,;3.72,2.33,;5.26,2.4,;5.96,3.77,;5.12,5.08,;3.58,4.99,;2.88,3.63,;1.38,3.24,;-2.68,.93,;-2.68,-.61,;-4.01,-1.36,;-5.34,-.61,;-5.34,.93,;-4.01,1.72,;-4.64,.55,;-3.59,-.17,)|
Show InChI InChI=1S/C17H21NS/c1-2-4-17-14(3-1)11-16(19-17)6-5-15-12-18-9-7-13(15)8-10-18/h1-4,11,13,15H,5-10,12H2
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n/an/a 23n/an/an/an/an/an/a



Mitsubishi Pharma Corporation

Curated by ChEMBL


Assay Description
Alpha 7 nicotinic acetylcholine receptor binding activity in PC12 cells

Bioorg Med Chem Lett 14: 3781-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.091
BindingDB Entry DOI: 10.7270/Q2X066G1
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50149143
PNG
(3-(2-Benzo[b]thiophen-2-yl-ethyl)-1-aza-bicyclo[2....)
Show SMILES C(Cc1cc2ccccc2s1)C1CN2CCC1CC2 |(-1.35,1.7,;-.02,.93,;1.31,1.7,;2.75,1.14,;3.72,2.33,;5.26,2.4,;5.96,3.77,;5.12,5.08,;3.58,4.99,;2.88,3.63,;1.38,3.24,;-2.68,.93,;-2.68,-.61,;-4.01,-1.36,;-5.34,-.61,;-5.34,.93,;-4.01,1.72,;-4.64,.55,;-3.59,-.17,)|
Show InChI InChI=1S/C17H21NS/c1-2-4-17-14(3-1)11-16(19-17)6-5-15-12-18-9-7-13(15)8-10-18/h1-4,11,13,15H,5-10,12H2
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n/an/a 23n/an/an/an/an/an/a



Mitsubishi Pharma Corporation

Curated by ChEMBL


Assay Description
Alpha 7 nicotinic acetylcholine receptor binding activity in PC12 cells

Bioorg Med Chem Lett 14: 3781-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.091
BindingDB Entry DOI: 10.7270/Q2X066G1
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))		BDBM247960
PNG
(US9434724, 34)
Show SMILES COc1ccc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c2c1C
Show InChI InChI=1S/C19H24N2O3/c1-13-16(23-2)4-3-15-17(13)14(11-20-15)18(22)24-12-19-5-8-21(9-6-19)10-7-19/h3-4,11,20H,5-10,12H2,1-2H3
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US Patent
 20.4 -10.9 23.6n/an/an/an/a7.437



ALPHARMAGEN, LLC

US Patent


Assay Description
Protocol 1: The assay was conducted following the literature reference Meyer E. M., et al., Analysis of 3-(4-Hydroxy, 2-Methoxybenzylidene) Anabasein...

US Patent US9434724 (2016)


BindingDB Entry DOI: 10.7270/Q2M32TPW
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))		BDBM248024
PNG
(US9434724, 39)
Show SMILES COc1ccc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c2c1Cl
Show InChI InChI=1S/C18H21ClN2O3/c1-23-14-3-2-13-15(16(14)19)12(10-20-13)17(22)24-11-18-4-7-21(8-5-18)9-6-18/h2-3,10,20H,4-9,11H2,1H3
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 20.6 -10.9 23.9n/an/an/an/a7.437



ALPHARMAGEN, LLC

US Patent


Assay Description
Protocol 1: The assay was conducted following the literature reference Meyer E. M., et al., Analysis of 3-(4-Hydroxy, 2-Methoxybenzylidene) Anabasein...

US Patent US9434724 (2016)


BindingDB Entry DOI: 10.7270/Q2M32TPW
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50149146
PNG
((S)-3-(Benzo[b]thiophen-2-ylmethoxy)-1-aza-bicyclo...)
Show SMILES C(O[C@@H]1CN2CCC1CC2)c1cc2ccccc2s1 |wD:2.1,(.52,2.64,;-.81,3.43,;-2.15,2.66,;-2.15,1.11,;-3.48,.34,;-3.04,1.54,;-4.11,2.26,;-3.48,3.43,;-4.81,2.66,;-4.81,1.11,;1.86,3.41,;3.26,2.78,;4.29,3.92,;5.83,3.9,;6.62,5.24,;5.85,6.59,;4.31,6.59,;3.53,5.26,;2.02,4.95,)|
Show InChI InChI=1S/C16H19NOS/c1-2-4-16-13(3-1)9-14(19-16)11-18-15-10-17-7-5-12(15)6-8-17/h1-4,9,12,15H,5-8,10-11H2/t15-/m1/s1
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n/an/a 26n/an/an/an/an/an/a



Mitsubishi Pharma Corporation

Curated by ChEMBL


Assay Description
Alpha 7 nicotinic acetylcholine receptor binding activity in PC12 cells

Bioorg Med Chem Lett 14: 3781-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.091
BindingDB Entry DOI: 10.7270/Q2X066G1
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))		BDBM247988
PNG
(US9434724, 35)
Show SMILES Clc1cccc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c12
Show InChI InChI=1S/C17H19ClN2O2/c18-13-2-1-3-14-15(13)12(10-19-14)16(21)22-11-17-4-7-20(8-5-17)9-6-17/h1-3,10,19H,4-9,11H2
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US Patent
 22.9 -10.8 26.6n/an/an/an/a7.437



ALPHARMAGEN, LLC

US Patent


Assay Description
Protocol 1: The assay was conducted following the literature reference Meyer E. M., et al., Analysis of 3-(4-Hydroxy, 2-Methoxybenzylidene) Anabasein...

US Patent US9434724 (2016)


BindingDB Entry DOI: 10.7270/Q2M32TPW
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50516336
PNG
(CHEMBL4465982)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC1=O)C(=O)NCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N2)C(C)C |r|
Show InChI InChI=1S/C67H101N25O21S4/c1-6-30(4)52-65(111)88-40(54(100)75-21-49(72)97)23-114-117-26-43-61(107)85-39(22-93)58(104)83-37(14-33-20-74-28-77-33)66(112)91-11-7-9-44(91)62(108)78-31(5)53(99)86-42(25-116-115-24-41(59(105)87-43)79-50(98)18-68)60(106)80-36(16-47(70)95)57(103)89-51(29(2)3)64(110)82-35(15-46(69)94)55(101)84-38(17-48(71)96)67(113)92-12-8-10-45(92)63(109)81-34(56(102)90-52)13-32-19-73-27-76-32/h19-20,27-31,34-45,51-52,93H,6-18,21-26,68H2,1-5H3,(H2,69,94)(H2,70,95)(H2,71,96)(H2,72,97)(H,73,76)(H,74,77)(H,75,100)(H,78,108)(H,79,98)(H,80,106)(H,81,109)(H,82,110)(H,83,104)(H,84,101)(H,85,107)(H,86,99)(H,87,105)(H,88,111)(H,89,103)(H,90,102)/t30-,31-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,51-,52-/m0/s1
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n/an/a 27n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at rat alpha7 nAChR expressed in xenopus oocytes assessed as inhibition of Ach- induced response at -70 mV holding potential prei...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02079
BindingDB Entry DOI: 10.7270/Q2R78K4Q
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50373059
PNG
(CHEMBL429317)
Show SMILES Cc1cc(on1)C(C=Nc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1 |w:7.7|
Show InChI InChI=1S/C19H15Cl2N3O2/c1-12-10-18(26-24-12)17(11-22-15-6-2-13(20)3-7-15)19(25)23-16-8-4-14(21)5-9-16/h2-11,17H,1H3,(H,23,25)
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n/an/a 28n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from alpha-7 nAChR in rat cortex

Proc Natl Acad Sci USA 104: 8059-64 (2007)


Article DOI: 10.1073/pnas.0701321104
BindingDB Entry DOI: 10.7270/Q2NS0VS3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50587088
PNG
(CHEMBL5082749)
Show SMILES CSCC[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](Cc3ccc(OS(O)(=O)=O)cc3)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O)C(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2 |r|
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TBA

Assay Description
Antagonist activity at rat alpha7 nAChR expressed in xenopus oocytes assessed as inhibition of Ach- induced response at -70 mV holding potential prei...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02079
BindingDB Entry DOI: 10.7270/Q2R78K4Q
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))		BDBM247999
PNG
(US9434724, 1)
Show SMILES O=C(OCC12CCN(CC1)CC2)c1c[nH]c2ccccc12
Show InChI InChI=1S/C17H20N2O2/c20-16(14-11-18-15-4-2-1-3-13(14)15)21-12-17-5-8-19(9-6-17)10-7-17/h1-4,11,18H,5-10,12H2
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US Patent
 27.6 -10.7 31.8n/an/an/an/a7.437



ALPHARMAGEN, LLC

US Patent


Assay Description
Protocol 1: The assay was conducted following the literature reference Meyer E. M., et al., Analysis of 3-(4-Hydroxy, 2-Methoxybenzylidene) Anabasein...

US Patent US9434724 (2016)


BindingDB Entry DOI: 10.7270/Q2M32TPW
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))		BDBM247980
PNG
(US9434724, 83)
Show SMILES Cc1cc(O)cc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c12
Show InChI InChI=1S/C18H22N2O3/c1-12-8-13(21)9-15-16(12)14(10-19-15)17(22)23-11-18-2-5-20(6-3-18)7-4-18/h8-10,19,21H,2-7,11H2,1H3
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 27.9 -10.7 31.8n/an/an/an/a7.437



ALPHARMAGEN, LLC

US Patent


Assay Description
Protocol 1: The assay was conducted following the literature reference Meyer E. M., et al., Analysis of 3-(4-Hydroxy, 2-Methoxybenzylidene) Anabasein...

US Patent US9434724 (2016)


BindingDB Entry DOI: 10.7270/Q2M32TPW
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50516308
PNG
(CHEMBL4469829)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@H](CCCCC(O)=O)NC1=O)C(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N2 |r|
Show InChI InChI=1S/C72H107N23O21S4/c1-6-36(4)57-70(114)84-41(11-7-8-14-55(98)99)60(104)87-45(21-39-25-76-33-79-39)71(115)95-18-10-13-53(95)69(113)83-42(15-16-56(100)101)61(105)85-43(19-35(2)3)62(106)90-48(58(74)102)28-117-119-31-51-67(111)89-47(27-96)64(108)88-46(22-40-26-77-34-80-40)72(116)94-17-9-12-52(94)68(112)81-37(5)59(103)91-50(30-120-118-29-49(65(109)92-51)82-54(97)23-73)66(110)86-44(63(107)93-57)20-38-24-75-32-78-38/h24-26,32-37,41-53,57,96H,6-23,27-31,73H2,1-5H3,(H2,74,102)(H,75,78)(H,76,79)(H,77,80)(H,81,112)(H,82,97)(H,83,113)(H,84,114)(H,85,105)(H,86,110)(H,87,104)(H,88,108)(H,89,111)(H,90,106)(H,91,103)(H,92,109)(H,93,107)(H,98,99)(H,100,101)/t36-,37-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,57-/m0/s1
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n/an/a 32n/an/an/an/an/an/a



Veterans Affairs Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at rat alpha7 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of Ach-induced response at -70 mV holding potentia...

J Med Chem 62: 6262-6275 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00566
BindingDB Entry DOI: 10.7270/Q2GQ7231
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50016199
PNG
(CHEMBL3262145)
Show SMILES Cl.C(Oc1cccnc1)C1CNCCN1c1nc2ncccc2s1
Show InChI InChI=1S/C16H17N5OS.ClH/c1-3-13(10-17-5-1)22-11-12-9-18-7-8-21(12)16-20-15-14(23-16)4-2-6-19-15;/h1-6,10,12,18H,7-9,11H2;1H
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n/an/a 32n/an/an/an/an/an/a



Critical Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of biotinylated alpha-bungarotoxin binding to alpha7 nAChR in rat PC12 cells by FACS analysis

J Med Chem 57: 3966-83 (2014)


Article DOI: 10.1021/jm5004599
BindingDB Entry DOI: 10.7270/Q2CV4K8S
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))		BDBM248009
PNG
(US9434724, 18)
Show SMILES COc1ccc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c2c1
Show InChI InChI=1S/C18H22N2O3/c1-22-13-2-3-16-14(10-13)15(11-19-16)17(21)23-12-18-4-7-20(8-5-18)9-6-18/h2-3,10-11,19H,4-9,12H2,1H3
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 28.3 -10.7 32.6n/an/an/an/a7.437



ALPHARMAGEN, LLC

US Patent


Assay Description
Protocol 1: The assay was conducted following the literature reference Meyer E. M., et al., Analysis of 3-(4-Hydroxy, 2-Methoxybenzylidene) Anabasein...

US Patent US9434724 (2016)


BindingDB Entry DOI: 10.7270/Q2M32TPW
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))		BDBM247967
PNG
(US9434724, 47)
Show SMILES COc1ccc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c2c1Br
Show InChI InChI=1S/C18H21BrN2O3/c1-23-14-3-2-13-15(16(14)19)12(10-20-13)17(22)24-11-18-4-7-21(8-5-18)9-6-18/h2-3,10,20H,4-9,11H2,1H3
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 28.5 -10.7 33.3n/an/an/an/a7.437



ALPHARMAGEN, LLC

US Patent


Assay Description
Protocol 1: The assay was conducted following the literature reference Meyer E. M., et al., Analysis of 3-(4-Hydroxy, 2-Methoxybenzylidene) Anabasein...

US Patent US9434724 (2016)


BindingDB Entry DOI: 10.7270/Q2M32TPW
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))		BDBM247990
PNG
(US9434724, 46)
Show SMILES Oc1cc(Cl)c2c(c[nH]c2c1)C(=O)OCC12CCN(CC1)CC2
Show InChI InChI=1S/C17H19ClN2O3/c18-13-7-11(21)8-14-15(13)12(9-19-14)16(22)23-10-17-1-4-20(5-2-17)6-3-17/h7-9,19,21H,1-6,10H2
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 28.6 -10.7 33.4n/an/an/an/a7.437



ALPHARMAGEN, LLC

US Patent


Assay Description
Protocol 1: The assay was conducted following the literature reference Meyer E. M., et al., Analysis of 3-(4-Hydroxy, 2-Methoxybenzylidene) Anabasein...

US Patent US9434724 (2016)


BindingDB Entry DOI: 10.7270/Q2M32TPW
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50516329
PNG
(CHEMBL4467363)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@H](CCCCC(O)=O)NC1=O)[C@@H](C)CC)C(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N2 |r|
Show InChI InChI=1S/C72H107N23O21S4/c1-6-35(3)56-69(113)84-41(12-8-9-15-54(98)99)60(104)86-44(21-39-25-76-33-79-39)71(115)95-19-11-14-52(95)68(112)83-42(16-17-55(100)101)61(105)92-57(36(4)7-2)70(114)89-47(58(74)102)28-117-119-31-50-66(110)88-46(27-96)63(107)87-45(22-40-26-77-34-80-40)72(116)94-18-10-13-51(94)67(111)81-37(5)59(103)90-49(30-120-118-29-48(64(108)91-50)82-53(97)23-73)65(109)85-43(62(106)93-56)20-38-24-75-32-78-38/h24-26,32-37,41-52,56-57,96H,6-23,27-31,73H2,1-5H3,(H2,74,102)(H,75,78)(H,76,79)(H,77,80)(H,81,111)(H,82,97)(H,83,112)(H,84,113)(H,85,109)(H,86,104)(H,87,107)(H,88,110)(H,89,114)(H,90,103)(H,91,108)(H,92,105)(H,93,106)(H,98,99)(H,100,101)/t35-,36-,37-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,56-,57-/m0/s1
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n/an/a 35n/an/an/an/an/an/a



Veterans Affairs Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at rat alpha7 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of Ach-induced response at -70 mV holding potentia...

J Med Chem 62: 6262-6275 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00566
BindingDB Entry DOI: 10.7270/Q2GQ7231
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50016208
PNG
(CHEMBL3262154)
Show SMILES Cl.O=C(Oc1ccccc1)N1CCNCC1COc1cccnc1
Show InChI InChI=1S/C17H19N3O3.ClH/c21-17(23-15-5-2-1-3-6-15)20-10-9-19-11-14(20)13-22-16-7-4-8-18-12-16;/h1-8,12,14,19H,9-11,13H2;1H
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n/an/a 37n/an/an/an/an/an/a



Critical Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of biotinylated alpha-bungarotoxin binding to alpha7 nAChR in rat PC12 cells by FACS analysis

J Med Chem 57: 3966-83 (2014)


Article DOI: 10.1021/jm5004599
BindingDB Entry DOI: 10.7270/Q2CV4K8S
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50016212
PNG
(CHEMBL3262158)
Show SMILES Cl.Clc1ccc(NC(=O)N2CCNCC2COc2cccnc2)cc1Cl
Show InChI InChI=1S/C17H18Cl2N4O2.ClH/c18-15-4-3-12(8-16(15)19)22-17(24)23-7-6-21-9-13(23)11-25-14-2-1-5-20-10-14;/h1-5,8,10,13,21H,6-7,9,11H2,(H,22,24);1H
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Critical Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of biotinylated alpha-bungarotoxin binding to alpha7 nAChR in rat PC12 cells by FACS analysis

J Med Chem 57: 3966-83 (2014)


Article DOI: 10.1021/jm5004599
BindingDB Entry DOI: 10.7270/Q2CV4K8S
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50016228
PNG
(CHEMBL3262174)
Show SMILES Cl.O=C(Nc1ccc(cc1)C(=O)c1ccccc1)N1CCNCC1COc1cccnc1
Show InChI InChI=1S/C24H24N4O3.ClH/c29-23(18-5-2-1-3-6-18)19-8-10-20(11-9-19)27-24(30)28-14-13-26-15-21(28)17-31-22-7-4-12-25-16-22;/h1-12,16,21,26H,13-15,17H2,(H,27,30);1H
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Critical Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of biotinylated alpha-bungarotoxin binding to alpha7 nAChR in rat PC12 cells by FACS analysis

J Med Chem 57: 3966-83 (2014)


Article DOI: 10.1021/jm5004599
BindingDB Entry DOI: 10.7270/Q2CV4K8S
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50016226
PNG
(CHEMBL3262172)
Show SMILES Cl.Fc1cc(Br)ccc1NC(=O)N1CCNCC1COc1cccnc1
Show InChI InChI=1S/C17H18BrFN4O2.ClH/c18-12-3-4-16(15(19)8-12)22-17(24)23-7-6-21-9-13(23)11-25-14-2-1-5-20-10-14;/h1-5,8,10,13,21H,6-7,9,11H2,(H,22,24);1H
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Critical Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of biotinylated alpha-bungarotoxin binding to alpha7 nAChR in rat PC12 cells by FACS analysis

J Med Chem 57: 3966-83 (2014)


Article DOI: 10.1021/jm5004599
BindingDB Entry DOI: 10.7270/Q2CV4K8S
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50016222
PNG
(CHEMBL3262168)
Show SMILES Cl.COc1ccc(NC(=O)N2CCNCC2COc2cccnc2)cc1Cl
Show InChI InChI=1S/C18H21ClN4O3.ClH/c1-25-17-5-4-13(9-16(17)19)22-18(24)23-8-7-21-10-14(23)12-26-15-3-2-6-20-11-15;/h2-6,9,11,14,21H,7-8,10,12H2,1H3,(H,22,24);1H
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UniChem

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Article
PubMed
n/an/a 45n/an/an/an/an/an/a



Critical Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of biotinylated alpha-bungarotoxin binding to alpha7 nAChR in rat PC12 cells by FACS analysis

J Med Chem 57: 3966-83 (2014)


Article DOI: 10.1021/jm5004599
BindingDB Entry DOI: 10.7270/Q2CV4K8S
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50016189
PNG
(CHEMBL3262135)
Show SMILES Cl.COc1ccc2nc(sc2c1)N1CCNC[C@@H]1COc1cccnc1 |r|
Show InChI InChI=1S/C18H20N4O2S.ClH/c1-23-14-4-5-16-17(9-14)25-18(21-16)22-8-7-20-10-13(22)12-24-15-3-2-6-19-11-15;/h2-6,9,11,13,20H,7-8,10,12H2,1H3;1H/t13-;/m1./s1
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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 46n/an/an/an/an/an/a



Critical Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of biotinylated alpha-bungarotoxin binding to alpha7 nAChR in rat PC12 cells by FACS analysis

J Med Chem 57: 3966-83 (2014)


Article DOI: 10.1021/jm5004599
BindingDB Entry DOI: 10.7270/Q2CV4K8S
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))		BDBM248023
PNG
(US9434724, 36)
Show SMILES COc1cccc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c12
Show InChI InChI=1S/C18H22N2O3/c1-22-15-4-2-3-14-16(15)13(11-19-14)17(21)23-12-18-5-8-20(9-6-18)10-7-18/h2-4,11,19H,5-10,12H2,1H3
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US Patent
 42.3 -10.5 48.9n/an/an/an/a7.437



ALPHARMAGEN, LLC

US Patent


Assay Description
Protocol 1: The assay was conducted following the literature reference Meyer E. M., et al., Analysis of 3-(4-Hydroxy, 2-Methoxybenzylidene) Anabasein...

US Patent US9434724 (2016)


BindingDB Entry DOI: 10.7270/Q2M32TPW
More data for this
Ligand-Target Pair
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