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Compile Data Set for Download or QSAR

Found 1109 hits Enz. Inhib. hit(s) with Target = 'Neuronal acetylcholine receptor protein alpha-7 subunit'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Neuronal acetylcholine receptor protein alpha-7 subunit


(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/a 1.06n/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Dissociation constant for nicotinic acetylcholine receptor alpha 7 from human neuroblastoma SH-SY5Y cells; n=3


Bioorg Med Chem Lett 15: 877-81 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.069
BindingDB Entry DOI: 10.7270/Q2057FDR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50160557
PNG
(5-Methyl-4,13-diaza-tricyclo[8.2.1.0*2,7*]trideca-...)
Show SMILES Cc1cc2CCC3CCC(N3)c2cn1
Show InChI InChI=1S/C12H16N2/c1-8-6-9-2-3-10-4-5-12(14-10)11(9)7-13-8/h6-7,10,12,14H,2-5H2,1H3
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n/an/an/a 1.06n/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Dissociation constant for nicotinic acetylcholine receptor alpha 7 from human neuroblastoma SH-SY5Y cells; n=3


Bioorg Med Chem Lett 15: 877-81 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.069
BindingDB Entry DOI: 10.7270/Q2057FDR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50023331
PNG
((+)-pyrido[3,4-b]homotropane | (+/-)-pyrido[3,4-b]...)
Show SMILES C1CC2NC1CCc1ccncc21
Show InChI InChI=1S/C11H14N2/c1-2-9-3-4-11(13-9)10-7-12-6-5-8(1)10/h5-7,9,11,13H,1-4H2
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n/an/an/a 1.06n/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Dissociation constant for nicotinic acetylcholine receptor alpha 7 from human neuroblastoma SH-SY5Y cells; n=3


Bioorg Med Chem Lett 15: 877-81 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.069
BindingDB Entry DOI: 10.7270/Q2057FDR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50023328
PNG
(3-Pyrrolidin-2-yl-pyridine | CHEMBL1132 | Nornicot...)
Show SMILES C1CNC(C1)c1cccnc1
Show InChI InChI=1S/C9H12N2/c1-3-8(7-10-5-1)9-4-2-6-11-9/h1,3,5,7,9,11H,2,4,6H2
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n/an/an/a 1.06n/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Dissociation constant for nicotinic acetylcholine receptor alpha 7 from human neuroblastoma SH-SY5Y cells; n=3


Bioorg Med Chem Lett 15: 877-81 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.069
BindingDB Entry DOI: 10.7270/Q2057FDR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM82070
PNG
(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)
Show SMILES CN1CCC[C@H]1c1cccnc1
Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1
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n/an/an/a 1.06n/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Dissociation constant for nicotinic acetylcholine receptor alpha 7 from human neuroblastoma SH-SY5Y cells; n=3


Bioorg Med Chem Lett 15: 877-81 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.069
BindingDB Entry DOI: 10.7270/Q2057FDR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50264117
PNG
(3-[1-(4-Hydroxy-2-methoxy-phenyl)-meth-(E)-ylidene...)
Show SMILES COc1cc(O)ccc1\C=C1/CCC[NH+]=C1c1cccnc1
Show InChI InChI=1S/C18H18N2O2/c1-22-17-11-16(21)7-6-13(17)10-14-4-3-9-20-18(14)15-5-2-8-19-12-15/h2,5-8,10-12,21H,3-4,9H2,1H3/p+1/b14-10+
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n/an/an/a 23n/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from alpha7 nAChR


J Med Chem 51: 6293-302 (2008)


Article DOI: 10.1021/jm800607u
BindingDB Entry DOI: 10.7270/Q2NZ88JP
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50093255
PNG
((+)-Spiro[1-azabicyclo[2.2.2]octane-3,5'-oxazolidi...)
Show SMILES O=C1NCC2(CN3CCC2CC3)O1
Show InChI InChI=1S/C9H14N2O2/c12-8-10-5-9(13-8)6-11-3-1-7(9)2-4-11/h7H,1-6H2,(H,10,12)
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n/an/an/a 92n/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from alpha7 nAChR


J Med Chem 51: 6293-302 (2008)


Article DOI: 10.1021/jm800607u
BindingDB Entry DOI: 10.7270/Q2NZ88JP
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50061564
PNG
((3E)-3-[(2,4-DIMETHOXYPHENYL)METHYLIDENE]-3,4,5,6-...)
Show SMILES COc1ccc(\C=C2/CCCN=C2c2cccnc2)c(OC)c1
Show InChI InChI=1S/C19H20N2O2/c1-22-17-8-7-14(18(12-17)23-2)11-15-5-4-10-21-19(15)16-6-3-9-20-13-16/h3,6-9,11-13H,4-5,10H2,1-2H3/b15-11+
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n/an/an/a 158n/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from alpha7 nAChR


J Med Chem 51: 6293-302 (2008)


Article DOI: 10.1021/jm800607u
BindingDB Entry DOI: 10.7270/Q2NZ88JP
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50248045
PNG
((S)-1-(2-fluorophenyl)ethyl (S)-quinuclidin-3-ylca...)
Show SMILES C[C@H](OC(=O)N[C@@H]1CN2CCC1CC2)c1ccccc1F
Show InChI InChI=1S/C16H21FN2O2/c1-11(13-4-2-3-5-14(13)17)21-16(20)18-15-10-19-8-6-12(15)7-9-19/h2-5,11-12,15H,6-10H2,1H3,(H,18,20)/t11-,15+/m0/s1
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n/an/an/a 200n/an/an/an/an/a



Targacept, Inc

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from human recombinant alpha7 nAchR


J Med Chem 54: 7943-61 (2011)


Article DOI: 10.1021/jm2007672
BindingDB Entry DOI: 10.7270/Q29P32QP
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50093253
PNG
((+)-3'-Methylspiro[1-azabicyclo[2.2.2]octane-3,5'-...)
Show SMILES CN1CC2(CN3CCC2CC3)OC1=O
Show InChI InChI=1S/C10H16N2O2/c1-11-6-10(14-9(11)13)7-12-4-2-8(10)3-5-12/h8H,2-7H2,1H3
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n/an/an/a 220n/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from alpha7 nAChR


J Med Chem 51: 6293-302 (2008)


Article DOI: 10.1021/jm800607u
BindingDB Entry DOI: 10.7270/Q2NZ88JP
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50093259
PNG
(3'-Ethylspiro[1-azabicyclo[2.2.2]octane-3,5'-oxazo...)
Show SMILES CCN1CC2(CN3CCC2CC3)OC1=O
Show InChI InChI=1S/C11H18N2O2/c1-2-13-8-11(15-10(13)14)7-12-5-3-9(11)4-6-12/h9H,2-8H2,1H3
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n/an/an/a 690n/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from alpha7 nAChR


J Med Chem 51: 6293-302 (2008)


Article DOI: 10.1021/jm800607u
BindingDB Entry DOI: 10.7270/Q2NZ88JP
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50393244
PNG
(CHEMBL2151438)
Show SMILES C1c2cc(cnc2O[C@]11CN2CCC1CC2)-c1ccoc1
Show InChI InChI=1S/C17H18N2O2/c1-4-19-5-2-15(1)17(11-19)8-13-7-14(9-18-16(13)21-17)12-3-6-20-10-12/h3,6-7,9-10,15H,1-2,4-5,8,11H2/t17-/m0/s1
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0.0300n/an/an/an/an/an/an/an/a



Targacept, Inc

Curated by ChEMBL


Assay Description
Binding affinity to human alpha7 nAchR


J Med Chem 54: 7943-61 (2011)


Article DOI: 10.1021/jm2007672
BindingDB Entry DOI: 10.7270/Q29P32QP
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50364875
PNG
(CHEMBL1950156)
Show SMILES CN1C[C@H]2CN(C[C@@H]12)c1ccc2-c3ccc(cc3C(=O)c2c1)N1C[C@@H]2CN(C)[C@@H]2C1
Show InChI InChI=1S/C25H28N4O/c1-26-9-15-11-28(13-23(15)26)17-3-5-19-20-6-4-18(8-22(20)25(30)21(19)7-17)29-12-16-10-27(2)24(16)14-29/h3-8,15-16,23-24H,9-14H2,1-2H3/t15-,16-,23+,24+/m0/s1
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0.0920n/an/an/an/an/an/an/an/a



The Johns Hopkins University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to alpha7 nAChR (unknown origin)


J Med Chem 56: 7574-89 (2013)


Article DOI: 10.1021/jm401184f
BindingDB Entry DOI: 10.7270/Q2Z3215R
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50393252
PNG
(CHEMBL2151570)
Show SMILES C1CN2CCC1[C@H](C2)Oc1ccc(nn1)-c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C19H20N4O/c1-2-16-15(5-8-20-16)11-14(1)17-3-4-19(22-21-17)24-18-12-23-9-6-13(18)7-10-23/h1-5,8,11,13,18,20H,6-7,9-10,12H2/t18-/m0/s1
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0.200n/an/an/an/an/an/an/an/a



Targacept, Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]A-585539 from alpha7 nAChR human cortex


J Med Chem 54: 7943-61 (2011)


Article DOI: 10.1021/jm2007672
BindingDB Entry DOI: 10.7270/Q29P32QP
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50393251
PNG
(CHEMBL2151569)
Show SMILES CN1CC2CN(CC2C1)c1ccc(nn1)-c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C19H21N5/c1-23-9-15-11-24(12-16(15)10-23)19-5-4-18(21-22-19)13-2-3-17-14(8-13)6-7-20-17/h2-8,15-16,20H,9-12H2,1H3
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0.240n/an/an/an/an/an/an/an/a



Targacept, Inc

Curated by ChEMBL


Assay Description
Binding affinity to alpha7 nAChR


J Med Chem 54: 7943-61 (2011)


Article DOI: 10.1021/jm2007672
BindingDB Entry DOI: 10.7270/Q29P32QP
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50393251
PNG
(CHEMBL2151569)
Show SMILES CN1CC2CN(CC2C1)c1ccc(nn1)-c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C19H21N5/c1-23-9-15-11-24(12-16(15)10-23)19-5-4-18(21-22-19)13-2-3-17-14(8-13)6-7-20-17/h2-8,15-16,20H,9-12H2,1H3
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0.240n/an/an/an/an/an/an/an/a



The Johns Hopkins University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to alpha7 nAChR (unknown origin)


J Med Chem 56: 7574-89 (2013)


Article DOI: 10.1021/jm401184f
BindingDB Entry DOI: 10.7270/Q2Z3215R
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50399780
PNG
(CHEMBL2179874)
Show SMILES Ic1ccc(s1)C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1
Show InChI InChI=1S/C18H20IN3OS/c19-16-4-3-15(24-16)18(23)21-17-13-5-8-22(9-6-13)14(17)10-12-2-1-7-20-11-12/h1-4,7,11,13-14,17H,5-6,8-10H2,(H,21,23)/t14-,17+/m0/s1
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0.510n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine form human alpha7 nAchR expressed in HEK293 cells


J Med Chem 55: 9793-809 (2012)


Article DOI: 10.1021/jm301048a
BindingDB Entry DOI: 10.7270/Q2J67J2T
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50399779
PNG
(CHEMBL2179875)
Show SMILES O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1ccc(s1)-c1ccccc1
Show InChI InChI=1S/C24H25N3OS/c28-24(22-9-8-21(29-22)18-6-2-1-3-7-18)26-23-19-10-13-27(14-11-19)20(23)15-17-5-4-12-25-16-17/h1-9,12,16,19-20,23H,10-11,13-15H2,(H,26,28)/t20-,23+/m0/s1
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0.800n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine form human alpha7 nAchR expressed in HEK293 cells


J Med Chem 55: 9793-809 (2012)


Article DOI: 10.1021/jm301048a
BindingDB Entry DOI: 10.7270/Q2J67J2T
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50399777
PNG
(CHEMBL2179877)
Show SMILES O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1ccc(s1)-c1ccccn1
Show InChI InChI=1S/C23H24N4OS/c28-23(21-7-6-20(29-21)18-5-1-2-11-25-18)26-22-17-8-12-27(13-9-17)19(22)14-16-4-3-10-24-15-16/h1-7,10-11,15,17,19,22H,8-9,12-14H2,(H,26,28)/t19-,22+/m0/s1
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0.900n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine form human alpha7 nAchR expressed in HEK293 cells


J Med Chem 55: 9793-809 (2012)


Article DOI: 10.1021/jm301048a
BindingDB Entry DOI: 10.7270/Q2J67J2T
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50309873
PNG
(4-(6-Chlorooxazolo[4,5-b]pyridin-2-yl)-1,4-diazabi...)
Show SMILES Clc1cnc2nc(oc2c1)N1CCN2CCC1CC2
Show InChI InChI=1S/C13H15ClN4O/c14-9-7-11-12(15-8-9)16-13(19-11)18-6-5-17-3-1-10(18)2-4-17/h7-8,10H,1-6H2
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1n/an/an/an/an/an/an/an/a



Targacept, Inc

Curated by ChEMBL


Assay Description
Binding affinity to alpha7 nAChR


J Med Chem 54: 7943-61 (2011)


Article DOI: 10.1021/jm2007672
BindingDB Entry DOI: 10.7270/Q29P32QP
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
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
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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1n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]methyllycaconitine from human alpha-7 in tsA201 cells coexpressed with 5HT3A receptor


J Med Chem 50: 4616-29 (2007)


Article DOI: 10.1021/jm070574f
BindingDB Entry DOI: 10.7270/Q2J67HRC
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50393247
PNG
(CHEMBL1258006)
Show SMILES O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1cc2ccccc2o1
Show InChI InChI=1S/C22H23N3O2/c26-22(20-13-17-5-1-2-6-19(17)27-20)24-21-16-7-10-25(11-8-16)18(21)12-15-4-3-9-23-14-15/h1-6,9,13-14,16,18,21H,7-8,10-12H2,(H,24,26)/t18-,21+/m0/s1
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1n/an/an/an/an/an/an/an/a



Targacept, Inc

Curated by ChEMBL


Assay Description
Binding affinity to human alpha7 nAChR expressed in HEK293 cells co-expressing RIC3 cDNA


J Med Chem 54: 7943-61 (2011)


Article DOI: 10.1021/jm2007672
BindingDB Entry DOI: 10.7270/Q29P32QP
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50393247
PNG
(CHEMBL1258006)
Show SMILES O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1cc2ccccc2o1
Show InChI InChI=1S/C22H23N3O2/c26-22(20-13-17-5-1-2-6-19(17)27-20)24-21-16-7-10-25(11-8-16)18(21)12-15-4-3-9-23-14-15/h1-6,9,13-14,16,18,21H,7-8,10-12H2,(H,24,26)/t18-,21+/m0/s1
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1n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine form human alpha7 nAchR expressed in HEK293 cells


J Med Chem 55: 9793-809 (2012)


Article DOI: 10.1021/jm301048a
BindingDB Entry DOI: 10.7270/Q2J67J2T
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50173945
PNG
(CHEMBL195190 | [2,2']Bithiophenyl-5-carboxylic aci...)
Show SMILES O=C(NC1CN2CCC1CC2)c1ccc(s1)-c1cccs1
Show InChI InChI=1S/C16H18N2OS2/c19-16(17-12-10-18-7-5-11(12)6-8-18)15-4-3-14(21-15)13-2-1-9-20-13/h1-4,9,11-12H,5-8,10H2,(H,17,19)
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1.10n/an/an/an/an/an/an/an/a



Eli Lilly and Company Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards human nicotinic acetylcholine receptor alpha 7 expressed in GH4C1 cell using [3H]methyllycaconitine


Bioorg Med Chem Lett 15: 4727-30 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.070
BindingDB Entry DOI: 10.7270/Q28K79W0
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50399781
PNG
(CHEMBL2179873)
Show SMILES Brc1ccc(s1)C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1
Show InChI InChI=1S/C18H20BrN3OS/c19-16-4-3-15(24-16)18(23)21-17-13-5-8-22(9-6-13)14(17)10-12-2-1-7-20-11-12/h1-4,7,11,13-14,17H,5-6,8-10H2,(H,21,23)/t14-,17+/m0/s1
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1.10n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine form human alpha7 nAchR expressed in HEK293 cells


J Med Chem 55: 9793-809 (2012)


Article DOI: 10.1021/jm301048a
BindingDB Entry DOI: 10.7270/Q2J67J2T
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50399776
PNG
(CHEMBL2179878)
Show SMILES O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1ccc(s1)-c1cccs1
Show InChI InChI=1S/C22H23N3OS2/c26-22(20-6-5-19(28-20)18-4-2-12-27-18)24-21-16-7-10-25(11-8-16)17(21)13-15-3-1-9-23-14-15/h1-6,9,12,14,16-17,21H,7-8,10-11,13H2,(H,24,26)/t17-,21+/m0/s1
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1.20n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine form human alpha7 nAchR expressed in HEK293 cells


J Med Chem 55: 9793-809 (2012)


Article DOI: 10.1021/jm301048a
BindingDB Entry DOI: 10.7270/Q2J67J2T
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50398820
PNG
(CHEMBL2177538)
Show SMILES C1NC[C@@H]2C[C@H]1CC(=C2)c1cccnc1
Show InChI InChI=1S/C13H16N2/c1-2-12(9-14-3-1)13-5-10-4-11(6-13)8-15-7-10/h1-3,5,9-11,15H,4,6-8H2/t10-,11+/m1/s1
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1.20n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from human alpha7 nAChR expressed in human HEK/RIC3 cells


J Med Chem 55: 9929-45 (2012)


Article DOI: 10.1021/jm3011299
BindingDB Entry DOI: 10.7270/Q2474C0B
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50173953
PNG
(CHEMBL364069 | N-[(3R)-1-azabicyclo[2.2.2]oct-3-yl...)
Show SMILES O=C(N[C@H]1CN2CCC1CC2)c1ccc(s1)-c1ccccn1
Show InChI InChI=1S/C17H19N3OS/c21-17(19-14-11-20-9-6-12(14)7-10-20)16-5-4-15(22-16)13-3-1-2-8-18-13/h1-5,8,12,14H,6-7,9-11H2,(H,19,21)/t14-/m0/s1
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1.30n/an/an/an/an/an/an/an/a



Eli Lilly and Company Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards human nicotinic acetylcholine receptor alpha 7 expressed in GH4C1 cell using [3H]methyllycaconitine


Bioorg Med Chem Lett 15: 4727-30 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.070
BindingDB Entry DOI: 10.7270/Q28K79W0
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50398821
PNG
(CHEMBL2177537)
Show SMILES C1NC[C@H]2C[C@@H]1CC(=C2)c1cccnc1
Show InChI InChI=1S/C13H16N2/c1-2-12(9-14-3-1)13-5-10-4-11(6-13)8-15-7-10/h1-3,5,9-11,15H,4,6-8H2/t10-,11+/m0/s1
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1.30n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from human alpha7 nAChR expressed in human HEK/RIC3 cells


J Med Chem 55: 9929-45 (2012)


Article DOI: 10.1021/jm3011299
BindingDB Entry DOI: 10.7270/Q2474C0B
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50190788
PNG
(CHEMBL378471 | N-[(3R)-1-azabicyclo[2.2.2]oct-3-yl...)
Show SMILES O=C(N[C@H]1CN2CCC1CC2)c1ccc2occc2c1
Show InChI InChI=1S/C16H18N2O2/c19-16(13-1-2-15-12(9-13)5-8-20-15)17-14-10-18-6-3-11(14)4-7-18/h1-2,5,8-9,11,14H,3-4,6-7,10H2,(H,17,19)/t14-/m0/s1
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1.60n/an/an/an/an/an/an/an/a



Targacept, Inc

Curated by ChEMBL


Assay Description
Binding affinity to alpha7 nAChR


J Med Chem 54: 7943-61 (2011)


Article DOI: 10.1021/jm2007672
BindingDB Entry DOI: 10.7270/Q29P32QP
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50397944
PNG
(CHEMBL2177512)
Show SMILES C1NCC2CC1CN(C2)c1cccnc1
Show InChI InChI=1S/C12H17N3/c1-2-12(7-13-3-1)15-8-10-4-11(9-15)6-14-5-10/h1-3,7,10-11,14H,4-6,8-9H2
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1.60n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from human alpha7 nAChR expressed in human HEK/RIC3 cells


J Med Chem 55: 9929-45 (2012)


Article DOI: 10.1021/jm3011299
BindingDB Entry DOI: 10.7270/Q2474C0B
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50398849
PNG
(CHEMBL2177553)
Show SMILES Fc1cncc(c1)C1=C[C@@H]2CNC[C@@H](C2)C1
Show InChI InChI=1S/C13H15FN2/c14-13-4-12(7-16-8-13)11-2-9-1-10(3-11)6-15-5-9/h2,4,7-10,15H,1,3,5-6H2/t9-,10+/m1/s1
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1.60n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from human alpha7 nAChR expressed in human HEK/RIC3 cells


J Med Chem 55: 9929-45 (2012)


Article DOI: 10.1021/jm3011299
BindingDB Entry DOI: 10.7270/Q2474C0B
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50399767
PNG
(CHEMBL2180253)
Show SMILES Oc1ccc2oc(cc2c1)C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1
Show InChI InChI=1S/C22H23N3O3/c26-17-3-4-19-16(11-17)12-20(28-19)22(27)24-21-15-5-8-25(9-6-15)18(21)10-14-2-1-7-23-13-14/h1-4,7,11-13,15,18,21,26H,5-6,8-10H2,(H,24,27)/t18-,21+/m0/s1
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1.80n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine form human alpha7 nAchR expressed in HEK293 cells


J Med Chem 55: 9793-809 (2012)


Article DOI: 10.1021/jm301048a
BindingDB Entry DOI: 10.7270/Q2J67J2T
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50173956
PNG
(CHEMBL370535 | N-[(3R)-1-azabicyclo[2.2.2]oct-3-yl...)
Show SMILES O=C(N[C@H]1CN2CCC1CC2)c1ccc(s1)-c1ccccc1
Show InChI InChI=1S/C18H20N2OS/c21-18(19-15-12-20-10-8-13(15)9-11-20)17-7-6-16(22-17)14-4-2-1-3-5-14/h1-7,13,15H,8-12H2,(H,19,21)/t15-/m0/s1
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1.80n/an/an/an/an/an/an/an/a



Eli Lilly and Company Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards human nicotinic acetylcholine receptor alpha 7 expressed in GH4C1 cell using [3H]methyllycaconitine


Bioorg Med Chem Lett 15: 4727-30 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.070
BindingDB Entry DOI: 10.7270/Q28K79W0
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM139032
PNG
(US8884017, 68)
Show SMILES Nc1cccc2cc(sc12)C(=O)N[C@H]1CN2CCC1CC2
Show InChI InChI=1S/C16H19N3OS/c17-12-3-1-2-11-8-14(21-15(11)12)16(20)18-13-9-19-6-4-10(13)5-7-19/h1-3,8,10,13H,4-7,9,17H2,(H,18,20)/t13-/m0/s1
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2n/an/an/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
The [3H]-methyllycaconitine binding assay is a modification of the method described by Davies et al. in Neuropharmacol. 1999, 38, 679-690.Rat brain t...


US Patent US8884017 (2014)


BindingDB Entry DOI: 10.7270/Q2MK6BK3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50399773
PNG
(CHEMBL2179881)
Show SMILES COc1ccc2oc(cc2c1)C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1
Show InChI InChI=1S/C23H25N3O3/c1-28-18-4-5-20-17(12-18)13-21(29-20)23(27)25-22-16-6-9-26(10-7-16)19(22)11-15-3-2-8-24-14-15/h2-5,8,12-14,16,19,22H,6-7,9-11H2,1H3,(H,25,27)/t19-,22+/m0/s1
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2.10n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine form human alpha7 nAchR expressed in HEK293 cells


J Med Chem 55: 9793-809 (2012)


Article DOI: 10.1021/jm301048a
BindingDB Entry DOI: 10.7270/Q2J67J2T
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50190785
PNG
(CHEMBL378349 | N-[(3R)-1-azabicyclo[2.2.2]oct-3-yl...)
Show SMILES O=C(N[C@H]1CN2CCC1CC2)c1ccc2ccsc2c1
Show InChI InChI=1S/C16H18N2OS/c19-16(13-2-1-12-5-8-20-15(12)9-13)17-14-10-18-6-3-11(14)4-7-18/h1-2,5,8-9,11,14H,3-4,6-7,10H2,(H,17,19)/t14-/m0/s1
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2.10n/an/an/an/an/an/an/an/a



Targacept, Inc

Curated by ChEMBL


Assay Description
Binding affinity to alpha7 nAChR


J Med Chem 54: 7943-61 (2011)


Article DOI: 10.1021/jm2007672
BindingDB Entry DOI: 10.7270/Q29P32QP
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50399770
PNG
(CHEMBL2180250)
Show SMILES Cc1c(oc2ccccc12)C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1
Show InChI InChI=1S/C23H25N3O2/c1-15-18-6-2-3-7-20(18)28-22(15)23(27)25-21-17-8-11-26(12-9-17)19(21)13-16-5-4-10-24-14-16/h2-7,10,14,17,19,21H,8-9,11-13H2,1H3,(H,25,27)/t19-,21+/m0/s1
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2.20n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine form human alpha7 nAchR expressed in HEK293 cells


J Med Chem 55: 9793-809 (2012)


Article DOI: 10.1021/jm301048a
BindingDB Entry DOI: 10.7270/Q2J67J2T
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50433470
PNG
(CHEMBL2380928)
Show SMILES FCCn1ccc2ccc(cc12)-c1nnc(o1)N1CCN2CCC1CC2
Show InChI InChI=1S/C19H22FN5O/c20-6-10-24-9-3-14-1-2-15(13-17(14)24)18-21-22-19(26-18)25-12-11-23-7-4-16(25)5-8-23/h1-3,9,13,16H,4-8,10-12H2
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2.5n/an/an/an/an/an/an/an/a



Helmholtz-Zentrum Dresden-Rossendorf

Curated by ChEMBL


Assay Description
Displacement of [3H]-methyllycaconitine from human alpha7 nAChR transfected in human SH-SY5Y cells after 240 mins by liquid scintillation counting an...


Bioorg Med Chem 21: 2635-42 (2013)


Article DOI: 10.1016/j.bmc.2013.02.018
BindingDB Entry DOI: 10.7270/Q28K7BFK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50417105
PNG
(CHEMBL1258240)
Show SMILES Brc1ccc(NC(=O)O[C@@H]2C3CCN(CC3)[C@H]2Cc2cccnc2)cc1
Show InChI InChI=1S/C20H22BrN3O2/c21-16-3-5-17(6-4-16)23-20(25)26-19-15-7-10-24(11-8-15)18(19)12-14-2-1-9-22-13-14/h1-6,9,13,15,18-19H,7-8,10-12H2,(H,23,25)/t18-,19+/m0/s1
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2.69n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]-MLA from human alpha7 nAChR expressed in human SH-SY5Y cells


J Med Chem 53: 7192-201 (2010)


Article DOI: 10.1021/jm100834y
BindingDB Entry DOI: 10.7270/Q21J9C1V
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50393247
PNG
(CHEMBL1258006)
Show SMILES O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1cc2ccccc2o1
Show InChI InChI=1S/C22H23N3O2/c26-22(20-13-17-5-1-2-6-19(17)27-20)24-21-16-7-10-25(11-8-16)18(21)12-15-4-3-9-23-14-15/h1-6,9,13-14,16,18,21H,7-8,10-12H2,(H,24,26)/t18-,21+/m0/s1
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2.75n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]-MLA from human alpha7 nAChR expressed in human SH-SY5Y cells


J Med Chem 53: 7192-201 (2010)


Article DOI: 10.1021/jm100834y
BindingDB Entry DOI: 10.7270/Q21J9C1V
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM139033
PNG
(US8884017, 73)
Show SMILES Nc1ccc2cc(sc2c1)C(=O)N[C@H]1CN2CCC1CC2
Show InChI InChI=1S/C16H19N3OS/c17-12-2-1-11-7-15(21-14(11)8-12)16(20)18-13-9-19-5-3-10(13)4-6-19/h1-2,7-8,10,13H,3-6,9,17H2,(H,18,20)/t13-/m0/s1
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2.80n/an/an/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
The [3H]-methyllycaconitine binding assay is a modification of the method described by Davies et al. in Neuropharmacol. 1999, 38, 679-690.Rat brain t...


US Patent US8884017 (2014)


BindingDB Entry DOI: 10.7270/Q2MK6BK3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50399792
PNG
(CHEMBL2179862)
Show SMILES O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1cc2ccccc2cn1
Show InChI InChI=1S/C23H24N4O/c28-23(20-13-18-5-1-2-6-19(18)15-25-20)26-22-17-7-10-27(11-8-17)21(22)12-16-4-3-9-24-14-16/h1-6,9,13-15,17,21-22H,7-8,10-12H2,(H,26,28)/t21-,22+/m0/s1
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2.80n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine form human alpha7 nAchR expressed in HEK293 cells


J Med Chem 55: 9793-809 (2012)


Article DOI: 10.1021/jm301048a
BindingDB Entry DOI: 10.7270/Q2J67J2T
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50393249
PNG
(CHEMBL2151441)
Show SMILES Cc1ccc(s1)C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1
Show InChI InChI=1S/C19H23N3OS/c1-13-4-5-17(24-13)19(23)21-18-15-6-9-22(10-7-15)16(18)11-14-3-2-8-20-12-14/h2-5,8,12,15-16,18H,6-7,9-11H2,1H3,(H,21,23)/t16-,18+/m0/s1
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3n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine form human alpha7 nAchR expressed in HEK293 cells


J Med Chem 55: 9793-809 (2012)


Article DOI: 10.1021/jm301048a
BindingDB Entry DOI: 10.7270/Q2J67J2T
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50393243
PNG
(CHEMBL2151437)
Show SMILES C1c2cccnc2O[C@]11CN2CCC1CC2
Show InChI InChI=1S/C13H16N2O/c1-2-10-8-13(16-12(10)14-5-1)9-15-6-3-11(13)4-7-15/h1-2,5,11H,3-4,6-9H2/t13-/m0/s1
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3n/an/an/an/an/an/an/an/a



Targacept, Inc

Curated by ChEMBL


Assay Description
Binding affinity to human alpha7 nAchR


J Med Chem 54: 7943-61 (2011)


Article DOI: 10.1021/jm2007672
BindingDB Entry DOI: 10.7270/Q29P32QP
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM139027
PNG
(US8884017, 58)
Show SMILES Fc1cccc2cc(sc12)C(=O)N[C@H]1CN2CCC1CC2
Show InChI InChI=1S/C16H17FN2OS/c17-12-3-1-2-11-8-14(21-15(11)12)16(20)18-13-9-19-6-4-10(13)5-7-19/h1-3,8,10,13H,4-7,9H2,(H,18,20)/t13-/m0/s1
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3.10n/an/an/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
The [3H]-methyllycaconitine binding assay is a modification of the method described by Davies et al. in Neuropharmacol. 1999, 38, 679-690.Rat brain t...


US Patent US8884017 (2014)


BindingDB Entry DOI: 10.7270/Q2MK6BK3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50173944
PNG
(5'-phenyl-(2'R)-spiro[4-azabicyclo[2.2.2]octane-2,...)
Show SMILES C1c2cc(cnc2O[C@]11CN2CCC1CC2)-c1ccccc1
Show InChI InChI=1S/C19H20N2O/c1-2-4-14(5-3-1)16-10-15-11-19(22-18(15)20-12-16)13-21-8-6-17(19)7-9-21/h1-5,10,12,17H,6-9,11,13H2/t19-/m0/s1
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3.10n/an/an/an/an/an/an/an/a



Eli Lilly and Company Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards human nicotinic acetylcholine receptor alpha 7 expressed in GH4C1 cell using [3H]methyllycaconitine


Bioorg Med Chem Lett 15: 4727-30 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.070
BindingDB Entry DOI: 10.7270/Q28K79W0
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50309888
PNG
(4-(6-Chloro-5-methyloxazolo[4,5-b]pyridin-2-yl)-1,...)
Show SMILES Cc1nc2nc(oc2cc1Cl)N1CCN2CCC1CC2
Show InChI InChI=1S/C14H17ClN4O/c1-9-11(15)8-12-13(16-9)17-14(20-12)19-7-6-18-4-2-10(19)3-5-18/h8,10H,2-7H2,1H3
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3.20n/an/an/an/an/an/an/an/a



Targacept, Inc

Curated by ChEMBL


Assay Description
Binding affinity to alpha7 nAChR


J Med Chem 54: 7943-61 (2011)


Article DOI: 10.1021/jm2007672
BindingDB Entry DOI: 10.7270/Q29P32QP
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50398850
PNG
(CHEMBL2177552)
Show SMILES Fc1cncc(c1)C1=C[C@H]2CNC[C@H](C2)C1
Show InChI InChI=1S/C13H15FN2/c14-13-4-12(7-16-8-13)11-2-9-1-10(3-11)6-15-5-9/h2,4,7-10,15H,1,3,5-6H2/t9-,10+/m0/s1
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3.30n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from human alpha7 nAChR expressed in human HEK/RIC3 cells


J Med Chem 55: 9929-45 (2012)


Article DOI: 10.1021/jm3011299
BindingDB Entry DOI: 10.7270/Q2474C0B
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50173942
PNG
(CHEMBL195329 | N-[(3R)-1-azabicyclo[2.2.2]oct-3-yl...)
Show SMILES O=C(N[C@H]1CN2CCC1CC2)c1ccc(s1)-c1ccccc1
Show InChI InChI=1S/C18H20N2OS/c21-18(19-15-12-20-10-8-13(15)9-11-20)17-7-6-16(22-17)14-4-2-1-3-5-14/h1-7,13,15H,8-12H2,(H,19,21)/t15-/m0/s1
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3.40n/an/an/an/an/an/an/an/a



Eli Lilly and Company Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards human nicotinic acetylcholine receptor alpha 7 expressed in GH4C1 cell using [3H]methyllycaconitine


Bioorg Med Chem Lett 15: 4727-30 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.070
BindingDB Entry DOI: 10.7270/Q28K79W0
More data for this
Ligand-Target Pair
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