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Compile Data Set for Download or QSAR

Found 21 hits Enz. Inhib. hit(s) with Target = 'Neuronal acetylcholine receptor protein alpha-7 subunit' AND taxid = 10090   
Target
(Institution)
LigandTarget
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


(Mus musculus)
BDBM50096713
PNG
(1H-Indole-3-carboxylic acid 1-aza-bicyclo[2.2.2]oc...)
Show SMILES O=C(OC1CN2CCC1CC2)c1c[nH]c2ccccc12
Show InChI InChI=1S/C16H18N2O2/c19-16(13-9-17-14-4-2-1-3-12(13)14)20-15-10-18-7-5-11(15)6-8-18/h1-4,9,11,15,17H,5-8,10H2
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2.30n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
In vitro Binding affinity towards alpha-7 nAChR was determined


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

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Mus musculus)
BDBM50096712
PNG
(3-(1H-Indole-3-carbonyloxy)-8,8-dimethyl-8-azonia-...)
Show SMILES C[N+]1(C)C2CCC1CC(C2)OC(=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C18H22N2O2/c1-20(2)12-7-8-13(20)10-14(9-12)22-18(21)16-11-19-17-6-4-3-5-15(16)17/h3-6,11-14H,7-10H2,1-2H3/p+1
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6.40n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
In vitro Binding affinity towards alpha-7 nAChR was determined


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

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Mus musculus)
BDBM50108392
PNG
((3-ENDO)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-3-YL 1H-I...)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C17H20N2O2/c1-19-11-6-7-12(19)9-13(8-11)21-17(20)15-10-18-16-5-3-2-4-14(15)16/h2-5,10-13,18H,6-9H2,1H3/t11-,12+,13+
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6.90n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
In vitro Binding affinity towards alpha-7 nAChR was determined


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

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Mus musculus)
BDBM50393253
PNG
(CHEMBL2151573)
Show SMILES CC(C)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](CC(O)=O)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(=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
Show InChI InChI=1S/C89H143N37O31S4/c1-38(2)24-47-72(143)115-49(27-60(91)128)74(145)118-51(28-61(92)129)83(154)126-23-9-15-59(126)82(153)117-48(25-40-31-102-37-107-40)73(144)116-50(30-65(135)136)75(146)123-55(78(149)111-42(10-4-18-103-86(94)95)68(139)110-43(11-5-19-104-87(96)97)69(140)113-46(85(156)157)13-7-21-106-89(100)101)34-159-160-35-56-79(150)120-53(32-127)76(147)119-52(29-62(93)130)84(155)125-22-8-14-58(125)81(152)108-39(3)66(137)121-54(77(148)112-44(70(141)114-47)12-6-20-105-88(98)99)33-158-161-36-57(80(151)124-56)122-71(142)45(16-17-63(131)132)109-67(138)41(90)26-64(133)134/h31,37-39,41-59,127H,4-30,32-36,90H2,1-3H3,(H2,91,128)(H2,92,129)(H2,93,130)(H,102,107)(H,108,152)(H,109,138)(H,110,139)(H,111,149)(H,112,148)(H,113,140)(H,114,141)(H,115,143)(H,116,144)(H,117,153)(H,118,145)(H,119,147)(H,120,150)(H,121,137)(H,122,142)(H,123,146)(H,124,151)(H,131,132)(H,133,134)(H,135,136)(H,156,157)(H4,94,95,103)(H4,96,97,104)(H4,98,99,105)(H4,100,101,106)/t39-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-/m0/s1
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7.04n/an/an/an/an/an/an/an/a



Targacept, Inc

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-Bungarotoxin from alpha7 nAchR in mouse hippocampal membranes


J Med Chem 54: 7943-61 (2011)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Mus musculus)
BDBM50096711
PNG
(CHEMBL320963 | Indole-1-carboxylic acid 1-aza-bicy...)
Show SMILES O=C(OC1CN2CCC1CC2)n1ccc2ccccc12
Show InChI InChI=1S/C16H18N2O2/c19-16(18-10-7-12-3-1-2-4-14(12)18)20-15-11-17-8-5-13(15)6-9-17/h1-4,7,10,13,15H,5-6,8-9,11H2
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8.80n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
In vitro Binding affinity towards alpha-7 nAChR was determined


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

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Mus musculus)
BDBM50346176
PNG
(2-(pyridin-3-yl)quinuclidine dihydrochloride | CHE...)
Show SMILES C1CN2CCC1CC2c1cccnc1
Show InChI InChI=1S/C12H16N2/c1-2-11(9-13-5-1)12-8-10-3-6-14(12)7-4-10/h1-2,5,9-10,12H,3-4,6-8H2
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69n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from alpha7 nAChR in C57BL/6J mouse hippocampal membrane


Bioorg Med Chem Lett 19: 4359-63 (2009)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Mus musculus)
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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244n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-alpha-Btx from alpha7 nAChR in mouse hippocampal membranes


J Med Chem 55: 9929-45 (2012)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Mus musculus)
BDBM50346172
PNG
(2-(pyridin-3-ylmethyl)quinuclidine bis(2,2,2-trifl...)
Show SMILES C(C1CC2CCN1CC2)c1cccnc1
Show InChI InChI=1S/C13H18N2/c1-2-12(10-14-5-1)9-13-8-11-3-6-15(13)7-4-11/h1-2,5,10-11,13H,3-4,6-9H2
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449n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from alpha7 nAChR in C57BL/6J mouse hippocampal membrane


Bioorg Med Chem Lett 19: 4359-63 (2009)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Mus musculus)
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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480n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
In vitro Binding affinity towards alpha-7 nAChR was determined


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

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Mus musculus)
BDBM50346168
PNG
((R)-3-(pyrrolidin-2-ylethynyl)pyridine hemigalacta...)
Show SMILES O[C@@H]([C@@H](O)[C@H](O)C(O)=O)[C@@H](O)C(O)=O
Show InChI InChI=1S/C6H10O8/c7-1(3(9)5(11)12)2(8)4(10)6(13)14/h1-4,7-10H,(H,11,12)(H,13,14)/t1-,2+,3+,4-
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733n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from alpha7 nAChR in C57BL/6J mouse hippocampal membrane


Bioorg Med Chem Lett 19: 4359-63 (2009)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Mus musculus)
BDBM50346177
PNG
(2-(pyrimidin-5-yl)quinuclidine bis(2,2,2-trifluoro...)
Show SMILES C1CN2CCC1CC2c1cncnc1
Show InChI InChI=1S/C11H15N3/c1-3-14-4-2-9(1)5-11(14)10-6-12-8-13-7-10/h6-9,11H,1-5H2
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1.10E+3n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from alpha7 nAChR in C57BL/6J mouse hippocampal membrane


Bioorg Med Chem Lett 19: 4359-63 (2009)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Mus musculus)
BDBM50346178
PNG
(8-methyl-3-(pyridin-3-yl)-8-azabicyclo[3.2.1]oct-2...)
Show SMILES CN1C2CCC1C=C(C2)c1cccnc1
Show InChI InChI=1S/C13H16N2/c1-15-12-4-5-13(15)8-11(7-12)10-3-2-6-14-9-10/h2-3,6-7,9,12-13H,4-5,8H2,1H3
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2.11E+3n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from alpha7 nAChR in C57BL/6J mouse hippocampal membrane


Bioorg Med Chem Lett 19: 4359-63 (2009)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Mus musculus)
BDBM50346173
PNG
(2-(pyrimidin-5-ylmethyl)quinuclidine bis(2,2,2-tri...)
Show SMILES C(C1CC2CCN1CC2)c1cncnc1
Show InChI InChI=1S/C12H17N3/c1-3-15-4-2-10(1)5-12(15)6-11-7-13-9-14-8-11/h7-10,12H,1-6H2
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2.59E+3n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from alpha7 nAChR in C57BL/6J mouse hippocampal membrane


Bioorg Med Chem Lett 19: 4359-63 (2009)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Mus musculus)
BDBM85330
PNG
(CAS_68647 | NSC_68647 | ONDANSETRON | Ondansetron ...)
Show SMILES Cc1nccn1CC1CCc2c(C1=O)c1ccccc1n2C
Show InChI InChI=1S/C18H19N3O/c1-12-19-9-10-21(12)11-13-7-8-16-17(18(13)22)14-5-3-4-6-15(14)20(16)2/h3-6,9-10,13H,7-8,11H2,1-2H3
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>3.00E+3n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
In vitro Binding affinity towards alpha-7 nAChR was determined


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

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Mus musculus)
BDBM50346174
PNG
((S)-3-(2-(pyrrolidin-3-yl)vinyl)pyridine bis(2,2,2...)
Show SMILES C1C[C@H](CN1)\C=C\c1cccnc1
Show InChI InChI=1S/C11H14N2/c1-2-10(8-12-6-1)3-4-11-5-7-13-9-11/h1-4,6,8,11,13H,5,7,9H2/b4-3+/t11-/m1/s1
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3.16E+3n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from alpha7 nAChR in C57BL/6J mouse hippocampal membrane


Bioorg Med Chem Lett 19: 4359-63 (2009)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Mus musculus)
BDBM50346168
PNG
((R)-3-(pyrrolidin-2-ylethynyl)pyridine hemigalacta...)
Show SMILES O[C@@H]([C@@H](O)[C@H](O)C(O)=O)[C@@H](O)C(O)=O
Show InChI InChI=1S/C6H10O8/c7-1(3(9)5(11)12)2(8)4(10)6(13)14/h1-4,7-10H,(H,11,12)(H,13,14)/t1-,2+,3+,4-
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5.77E+3n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from alpha7 nAChR in C57BL/6J mouse hippocampal membrane


Bioorg Med Chem Lett 19: 4359-63 (2009)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Mus musculus)
BDBM50346179
PNG
(8-methyl-3-(pyrimidin-5-yl)-8-azabicyclo[3.2.1]oct...)
Show SMILES CN1C2CCC1C=C(C2)c1cncnc1
Show InChI InChI=1S/C12H15N3/c1-15-11-2-3-12(15)5-9(4-11)10-6-13-8-14-7-10/h4,6-8,11-12H,2-3,5H2,1H3
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9.10E+3n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from alpha7 nAChR in C57BL/6J mouse hippocampal membrane


Bioorg Med Chem Lett 19: 4359-63 (2009)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Mus musculus)
BDBM50346168
PNG
((R)-3-(pyrrolidin-2-ylethynyl)pyridine hemigalacta...)
Show SMILES O[C@@H]([C@@H](O)[C@H](O)C(O)=O)[C@@H](O)C(O)=O
Show InChI InChI=1S/C6H10O8/c7-1(3(9)5(11)12)2(8)4(10)6(13)14/h1-4,7-10H,(H,11,12)(H,13,14)/t1-,2+,3+,4-
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>1.00E+4n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from alpha7 nAChR in C57BL/6J mouse hippocampal membrane


Bioorg Med Chem Lett 19: 4359-63 (2009)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Mus musculus)
BDBM50346168
PNG
((R)-3-(pyrrolidin-2-ylethynyl)pyridine hemigalacta...)
Show SMILES O[C@@H]([C@@H](O)[C@H](O)C(O)=O)[C@@H](O)C(O)=O
Show InChI InChI=1S/C6H10O8/c7-1(3(9)5(11)12)2(8)4(10)6(13)14/h1-4,7-10H,(H,11,12)(H,13,14)/t1-,2+,3+,4-
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>1.00E+4n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from alpha7 nAChR in C57BL/6J mouse hippocampal membrane


Bioorg Med Chem Lett 19: 4359-63 (2009)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Mus musculus)
BDBM50449636
PNG
(BRL-43694 | GRANISETRON | Kytril | LY-278584 | San...)
Show SMILES CN1[C@H]2CCC[C@@H]1C[C@H](C2)NC(=O)c1nn(C)c2ccccc12
Show InChI InChI=1S/C18H24N4O/c1-21-13-6-5-7-14(21)11-12(10-13)19-18(23)17-15-8-3-4-9-16(15)22(2)20-17/h3-4,8-9,12-14H,5-7,10-11H2,1-2H3,(H,19,23)/t12-,13-,14+
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>1.00E+4n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
In vitro Binding affinity towards alpha-7 nAChR was determined


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

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Mus musculus)
BDBM50346168
PNG
((R)-3-(pyrrolidin-2-ylethynyl)pyridine hemigalacta...)
Show SMILES O[C@@H]([C@@H](O)[C@H](O)C(O)=O)[C@@H](O)C(O)=O
Show InChI InChI=1S/C6H10O8/c7-1(3(9)5(11)12)2(8)4(10)6(13)14/h1-4,7-10H,(H,11,12)(H,13,14)/t1-,2+,3+,4-
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>1.00E+4n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from alpha7 nAChR in C57BL/6J mouse hippocampal membrane


Bioorg Med Chem Lett 19: 4359-63 (2009)

More data for this
Ligand-Target Pair