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Compile Data Set for Download or QSAR

Found 240 hits of ec50 data for polymerid = 5127   
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


(Rattus norvegicus (Rat))
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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n/an/an/an/a 1n/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at rat alpha7 nAchR expressed in GH4C1 cells by whole cell patch clamp assay


J Med Chem 55: 9793-809 (2012)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
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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n/an/an/an/a 1n/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at rat alpha7 nAchR expressed in GH4C1 cells by whole cell patch clamp assay


J Med Chem 55: 9793-809 (2012)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
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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n/an/an/an/a 10n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Activation responses to that evoked by ACh at human Nicotinic acetylcholine receptor alpha-7 expressed in xenopus oocytes


Bioorg Med Chem Lett 14: 1849-53 (2004)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
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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n/an/an/an/a 11n/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at rat alpha7 nAchR expressed in GH4C1 cells by whole cell patch clamp assay


J Med Chem 55: 9793-809 (2012)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50399772
PNG
(CHEMBL2179882)
Show SMILES COc1cccc2cc(oc12)C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1
Show InChI InChI=1S/C23H25N3O3/c1-28-19-6-2-5-17-13-20(29-22(17)19)23(27)25-21-16-7-10-26(11-8-16)18(21)12-15-4-3-9-24-14-15/h2-6,9,13-14,16,18,21H,7-8,10-12H2,1H3,(H,25,27)/t18-,21+/m0/s1
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n/an/an/an/a 12n/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at rat alpha7 nAchR expressed in GH4C1 cells by whole cell patch clamp assay


J Med Chem 55: 9793-809 (2012)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50399783
PNG
(CHEMBL2179871)
Show SMILES O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)\C=C\c1ccccc1
Show InChI InChI=1S/C22H25N3O/c26-21(9-8-17-5-2-1-3-6-17)24-22-19-10-13-25(14-11-19)20(22)15-18-7-4-12-23-16-18/h1-9,12,16,19-20,22H,10-11,13-15H2,(H,24,26)/b9-8+/t20-,22+/m0/s1
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n/an/an/an/a 14n/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at rat alpha7 nAchR expressed in GH4C1 cells by whole cell patch clamp assay


J Med Chem 55: 9793-809 (2012)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50430251
PNG
(CHEMBL2332469)
Show SMILES CS(=O)(=O)NCc1cccc(c1)-c1cc(=O)n(CC2CN3CCC2CC3)c2ccccc12
Show InChI InChI=1S/C25H29N3O3S/c1-32(30,31)26-15-18-5-4-6-20(13-18)23-14-25(29)28(24-8-3-2-7-22(23)24)17-21-16-27-11-9-19(21)10-12-27/h2-8,13-14,19,21,26H,9-12,15-17H2,1H3
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n/an/an/an/a 14n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at rat alpha7 nAChR expressed in HEK293 cells assessed as calcium ion influx by FRET assay


Bioorg Med Chem Lett 23: 1684-8 (2013)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50399782
PNG
(CHEMBL2179872)
Show SMILES Cc1ccsc1\C=C\C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1
Show InChI InChI=1S/C21H25N3OS/c1-15-8-12-26-19(15)4-5-20(25)23-21-17-6-10-24(11-7-17)18(21)13-16-3-2-9-22-14-16/h2-5,8-9,12,14,17-18,21H,6-7,10-11,13H2,1H3,(H,23,25)/b5-4+/t18-,21+/m0/s1
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n/an/an/an/a 14n/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at rat alpha7 nAchR expressed in GH4C1 cells by whole cell patch clamp assay


J Med Chem 55: 9793-809 (2012)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
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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n/an/an/an/a 17n/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at rat alpha7 nAchR expressed in GH4C1 cells by whole cell patch clamp assay


J Med Chem 55: 9793-809 (2012)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50164924
PNG
(Benzofuran-2-carboxylic acid ((2R,3R)-2-pyridin-3-...)
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-/m1/s1
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n/an/an/an/a 20n/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at rat alpha7 nAchR expressed in GH4C1 cells by whole cell patch clamp assay


J Med Chem 55: 9793-809 (2012)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50430252
PNG
(CHEMBL2332470)
Show SMILES O=c1cc(-c2cccc3[nH]ccc23)c2ccccc2n1CC1CN2CCC1CC2
Show InChI InChI=1S/C25H25N3O/c29-25-14-22(19-5-3-6-23-20(19)8-11-26-23)21-4-1-2-7-24(21)28(25)16-18-15-27-12-9-17(18)10-13-27/h1-8,11,14,17-18,26H,9-10,12-13,15-16H2
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n/an/an/an/a 23n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at rat alpha7 nAChR expressed in HEK293 cells assessed as calcium ion influx by FRET assay


Bioorg Med Chem Lett 23: 1684-8 (2013)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50319936
PNG
((1S,4S)-2-methyl-5-(6-phenylpyridazin-3-yl)-2,5-di...)
Show SMILES CN1C[C@@H]2C[C@H]1CN2c1ccc(nn1)-c1ccccc1
Show InChI InChI=1S/C16H18N4/c1-19-10-14-9-13(19)11-20(14)16-8-7-15(17-18-16)12-5-3-2-4-6-12/h2-8,13-14H,9-11H2,1H3/t13-,14-/m0/s1
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n/an/an/an/a 25n/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Agonist activity at rat alpha7 nAChR expressed in GH4C1 cells by fluorescent calcium assay


Eur J Med Chem 95: 277-301 (2015)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
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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n/an/an/an/a 30n/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at rat alpha7 nAchR expressed in GH4C1 cells by whole cell patch clamp assay


J Med Chem 55: 9793-809 (2012)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
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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n/an/an/an/a 30n/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at rat alpha7 nAchR expressed in GH4C1 cells by whole cell patch clamp assay


J Med Chem 55: 9793-809 (2012)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
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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n/an/an/an/a 30n/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at rat alpha7 nAchR expressed in GH4C1 cells by whole cell patch clamp assay


J Med Chem 55: 9793-809 (2012)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50430250
PNG
(CHEMBL2332468)
Show SMILES CC(=O)NCc1cccc(c1)-c1cc(=O)n(CC2CN3CCC2CC3)c2ccccc12
Show InChI InChI=1S/C26H29N3O2/c1-18(30)27-15-19-5-4-6-21(13-19)24-14-26(31)29(25-8-3-2-7-23(24)25)17-22-16-28-11-9-20(22)10-12-28/h2-8,13-14,20,22H,9-12,15-17H2,1H3,(H,27,30)
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n/an/an/an/a 32n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at rat alpha7 nAChR expressed in HEK293 cells assessed as calcium ion influx by FRET assay


Bioorg Med Chem Lett 23: 1684-8 (2013)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50164924
PNG
(Benzofuran-2-carboxylic acid ((2R,3R)-2-pyridin-3-...)
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-/m1/s1
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n/an/an/an/a 33n/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Potency against rat nicotininic acetylcholine alpha-7 subunit expressed in Xenopus oocytes as current activation


Bioorg Med Chem Lett 15: 2073-7 (2005)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM91595
PNG
(PHA568487)
Show SMILES O=C(N[C@H]1CN2CCC1CC2)c1ccc2OCCOc2c1
Show InChI InChI=1S/C16H20N2O3/c19-16(17-13-10-18-5-3-11(13)4-6-18)12-1-2-14-15(9-12)21-8-7-20-14/h1-2,9,11,13H,3-8,10H2,(H,17,19)/t13-/m0/s1
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n/an/an/an/a 36.2n/an/an/an/a



Siena Biotech SpA

Curated by ChEMBL


Assay Description
Agonist activity at rat alpha7 nAChR expressed in GH4C1 cells assessed as calcium influx measured every 1 sec for 1 min followed by every 30 secs for...


J Med Chem 55: 4806-23 (2012)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50399765
PNG
(CHEMBL2180255)
Show SMILES Cc1c(oc2ccc(F)cc12)C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1
Show InChI InChI=1S/C23H24FN3O2/c1-14-18-12-17(24)4-5-20(18)29-22(14)23(28)26-21-16-6-9-27(10-7-16)19(21)11-15-3-2-8-25-13-15/h2-5,8,12-13,16,19,21H,6-7,9-11H2,1H3,(H,26,28)/t19-,21+/m0/s1
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n/an/an/an/a 50n/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at rat alpha7 nAchR expressed in GH4C1 cells by whole cell patch clamp assay


J Med Chem 55: 9793-809 (2012)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
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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n/an/an/an/a 50n/an/an/an/a



Targacept, Inc

Curated by ChEMBL


Assay Description
Agonist activity at rat alpha7 nAchR expressed in Xenopus oocyte


J Med Chem 54: 7943-61 (2011)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
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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Targacept, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at rat alpha7 nAchR expressed in GH4C1 cells by whole cell patch clamp assay


J Med Chem 55: 9793-809 (2012)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50399766
PNG
(CHEMBL2180254)
Show SMILES Fc1ccc2oc(cc2c1)C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1
Show InChI InChI=1S/C22H22FN3O2/c23-17-3-4-19-16(11-17)12-20(28-19)22(27)25-21-15-5-8-26(9-6-15)18(21)10-14-2-1-7-24-13-14/h1-4,7,11-13,15,18,21H,5-6,8-10H2,(H,25,27)/t18-,21+/m0/s1
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Targacept, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at rat alpha7 nAchR expressed in GH4C1 cells by whole cell patch clamp assay


J Med Chem 55: 9793-809 (2012)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
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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Targacept, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at rat alpha7 nAchR expressed in GH4C1 cells by whole cell patch clamp assay


J Med Chem 55: 9793-809 (2012)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50393248
PNG
(CHEMBL1258005)
Show SMILES Brc1ccc(cc1)C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1
Show InChI InChI=1S/C20H22BrN3O/c21-17-5-3-16(4-6-17)20(25)23-19-15-7-10-24(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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Targacept, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at rat alpha7 nAchR expressed in GH4C1 cells by whole cell patch clamp assay


J Med Chem 55: 9793-809 (2012)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50399810
PNG
(CHEMBL2179844)
Show SMILES COc1ccc(cc1)C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1
Show InChI InChI=1S/C21H25N3O2/c1-26-18-6-4-17(5-7-18)21(25)23-20-16-8-11-24(12-9-16)19(20)13-15-3-2-10-22-14-15/h2-7,10,14,16,19-20H,8-9,11-13H2,1H3,(H,23,25)/t19-,20+/m0/s1
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Targacept, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at rat alpha7 nAchR expressed in GH4C1 cells by whole cell patch clamp assay


J Med Chem 55: 9793-809 (2012)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50399775
PNG
(CHEMBL2179879)
Show SMILES Clc1ccc2oc(cc2c1)C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1
Show InChI InChI=1S/C22H22ClN3O2/c23-17-3-4-19-16(11-17)12-20(28-19)22(27)25-21-15-5-8-26(9-6-15)18(21)10-14-2-1-7-24-13-14/h1-4,7,11-13,15,18,21H,5-6,8-10H2,(H,25,27)/t18-,21+/m0/s1
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Targacept, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at rat alpha7 nAchR expressed in GH4C1 cells by whole cell patch clamp assay


J Med Chem 55: 9793-809 (2012)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50319673
PNG
(1-[6-(4-Fluorophenyl)pyridin-3-yl]-3-(4-piperidin-...)
Show SMILES Fc1ccc(cc1)-c1ccc(NC(=O)NCCCCN2CCCCC2)cn1
Show InChI InChI=1S/C21H27FN4O/c22-18-8-6-17(7-9-18)20-11-10-19(16-24-20)25-21(27)23-12-2-5-15-26-13-3-1-4-14-26/h6-11,16H,1-5,12-15H2,(H2,23,25,27)
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Siena Biotech SpA

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha7 nAChR expressed in rat GH4C1 cells


J Med Chem 53: 4379-89 (2010)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50430249
PNG
(CHEMBL2332473)
Show SMILES CS(=O)(=O)NCc1cccc(c1)-c1cc(=O)n(CC2CCCNC2)c2ccccc12
Show InChI InChI=1S/C23H27N3O3S/c1-30(28,29)25-15-17-6-4-8-19(12-17)21-13-23(27)26(16-18-7-5-11-24-14-18)22-10-3-2-9-20(21)22/h2-4,6,8-10,12-13,18,24-25H,5,7,11,14-16H2,1H3
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n/an/an/an/a 77n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at rat alpha7 nAChR expressed in HEK293 cells assessed as calcium ion influx by FRET assay


Bioorg Med Chem Lett 23: 1684-8 (2013)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50300815
PNG
(4'-(5-Piperidin-1-yl-pentanoylamino)biphenyl-3-car...)
Show SMILES NC(=O)c1cccc(c1)-c1ccc(NC(=O)CCCCN2CCCCC2)cc1
Show InChI InChI=1S/C23H29N3O2/c24-23(28)20-8-6-7-19(17-20)18-10-12-21(13-11-18)25-22(27)9-2-5-16-26-14-3-1-4-15-26/h6-8,10-13,17H,1-5,9,14-16H2,(H2,24,28)(H,25,27)
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n/an/an/an/a 90n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Agonist activity at rat alpha7 nAChR expressed in rat GH4C1 cells assessed as calcium flux by FLIPR assay


Bioorg Med Chem 17: 5247-58 (2009)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50399769
PNG
(CHEMBL2180251)
Show SMILES Cc1ccc2oc(cc2c1)C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1
Show InChI InChI=1S/C23H25N3O2/c1-15-4-5-20-18(11-15)13-21(28-20)23(27)25-22-17-6-9-26(10-7-17)19(22)12-16-3-2-8-24-14-16/h2-5,8,11,13-14,17,19,22H,6-7,9-10,12H2,1H3,(H,25,27)/t19-,22+/m0/s1
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Targacept, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at rat alpha7 nAchR expressed in GH4C1 cells by whole cell patch clamp assay


J Med Chem 55: 9793-809 (2012)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
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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Targacept, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at rat alpha7 nAchR expressed in GH4C1 cells by whole cell patch clamp assay


J Med Chem 55: 9793-809 (2012)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50399774
PNG
(CHEMBL2179880)
Show SMILES Brc1ccc2oc(cc2c1)C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1
Show InChI InChI=1S/C22H22BrN3O2/c23-17-3-4-19-16(11-17)12-20(28-19)22(27)25-21-15-5-8-26(9-6-15)18(21)10-14-2-1-7-24-13-14/h1-4,7,11-13,15,18,21H,5-6,8-10H2,(H,25,27)/t18-,21+/m0/s1
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Targacept, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at rat alpha7 nAchR expressed in GH4C1 cells by whole cell patch clamp assay


J Med Chem 55: 9793-809 (2012)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50430248
PNG
(CHEMBL2331566)
Show SMILES CC(=O)NCc1cccc(c1)-c1cc(=O)n(CC2CCCNC2)c2ccccc12
Show InChI InChI=1S/C24H27N3O2/c1-17(28)26-15-18-6-4-8-20(12-18)22-13-24(29)27(16-19-7-5-11-25-14-19)23-10-3-2-9-21(22)23/h2-4,6,8-10,12-13,19,25H,5,7,11,14-16H2,1H3,(H,26,28)
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Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at rat alpha7 nAChR expressed in HEK293 cells assessed as calcium ion influx by FRET assay


Bioorg Med Chem Lett 23: 1684-8 (2013)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50399764
PNG
(CHEMBL2180256)
Show SMILES Cc1c(oc2c(F)cccc12)C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1
Show InChI InChI=1S/C23H24FN3O2/c1-14-17-5-2-6-18(24)22(17)29-21(14)23(28)26-20-16-7-10-27(11-8-16)19(20)12-15-4-3-9-25-13-15/h2-6,9,13,16,19-20H,7-8,10-12H2,1H3,(H,26,28)/t19-,20+/m0/s1
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Targacept, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at rat alpha7 nAchR expressed in GH4C1 cells by whole cell patch clamp assay


J Med Chem 55: 9793-809 (2012)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50399768
PNG
(CHEMBL2180252)
Show SMILES Cc1ccc2cc(oc2c1)C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1
Show InChI InChI=1S/C23H25N3O2/c1-15-4-5-18-13-21(28-20(18)11-15)23(27)25-22-17-6-9-26(10-7-17)19(22)12-16-3-2-8-24-14-16/h2-5,8,11,13-14,17,19,22H,6-7,9-10,12H2,1H3,(H,25,27)/t19-,22+/m0/s1
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Targacept, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at rat alpha7 nAchR expressed in GH4C1 cells by whole cell patch clamp assay


J Med Chem 55: 9793-809 (2012)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50430247
PNG
(CHEMBL2332472)
Show SMILES O=c1cc(-c2cccc3[nH]ccc23)c2ccccc2n1CC1CCCNC1
Show InChI InChI=1S/C23H23N3O/c27-23-13-20(17-7-3-8-21-18(17)10-12-25-21)19-6-1-2-9-22(19)26(23)15-16-5-4-11-24-14-16/h1-3,6-10,12-13,16,24-25H,4-5,11,14-15H2
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Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at rat alpha7 nAChR expressed in HEK293 cells assessed as calcium ion influx by FRET assay


Bioorg Med Chem Lett 23: 1684-8 (2013)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50399803
PNG
(CHEMBL2179851)
Show SMILES O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1ccc2OCCOc2c1
Show InChI InChI=1S/C22H25N3O3/c26-22(17-3-4-19-20(13-17)28-11-10-27-19)24-21-16-5-8-25(9-6-16)18(21)12-15-2-1-7-23-14-15/h1-4,7,13-14,16,18,21H,5-6,8-12H2,(H,24,26)/t18-,21+/m0/s1
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Targacept, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at rat alpha7 nAchR expressed in GH4C1 cells by whole cell patch clamp assay


J Med Chem 55: 9793-809 (2012)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50300813
PNG
(5-Piperidin-1-ylpentanoic acid(3'-acetylaminobiphe...)
Show SMILES CC(=O)Nc1cccc(c1)-c1ccc(NC(=O)CCCCN2CCCCC2)cc1
Show InChI InChI=1S/C24H31N3O2/c1-19(28)25-23-9-7-8-21(18-23)20-11-13-22(14-12-20)26-24(29)10-3-6-17-27-15-4-2-5-16-27/h7-9,11-14,18H,2-6,10,15-17H2,1H3,(H,25,28)(H,26,29)
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n/an/an/an/a 120n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Agonist activity at rat alpha7 nAChR expressed in rat GH4C1 cells assessed as calcium flux by FLIPR assay


Bioorg Med Chem 17: 5247-58 (2009)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50399762
PNG
(CHEMBL2180258)
Show SMILES Cc1c(oc2ccc(Cl)cc12)C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1
Show InChI InChI=1S/C23H24ClN3O2/c1-14-18-12-17(24)4-5-20(18)29-22(14)23(28)26-21-16-6-9-27(10-7-16)19(21)11-15-3-2-8-25-13-15/h2-5,8,12-13,16,19,21H,6-7,9-11H2,1H3,(H,26,28)/t19-,21+/m0/s1
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Targacept, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at rat alpha7 nAchR expressed in GH4C1 cells by whole cell patch clamp assay


J Med Chem 55: 9793-809 (2012)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50319680
PNG
(1-(6-phenylpyridin-3-yl)-3-(4-(piperidin-1-yl)buty...)
Show SMILES O=C(NCCCCN1CCCCC1)Nc1ccc(nc1)-c1ccccc1
Show InChI InChI=1S/C21H28N4O/c26-21(22-13-5-8-16-25-14-6-2-7-15-25)24-19-11-12-20(23-17-19)18-9-3-1-4-10-18/h1,3-4,9-12,17H,2,5-8,13-16H2,(H2,22,24,26)
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n/an/an/an/a 120n/an/an/an/a



Siena Biotech SpA

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha7 nAChR expressed in rat GH4C1 cells


J Med Chem 53: 4379-89 (2010)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50319678
PNG
(1-(4-(6-fluoropyridin-3-yl)phenyl)-3-(4-(piperidin...)
Show SMILES Fc1ccc(cn1)-c1ccc(NC(=O)NCCCCN2CCCCC2)cc1
Show InChI InChI=1S/C21H27FN4O/c22-20-11-8-18(16-24-20)17-6-9-19(10-7-17)25-21(27)23-12-2-5-15-26-13-3-1-4-14-26/h6-11,16H,1-5,12-15H2,(H2,23,25,27)
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n/an/an/an/a 120n/an/an/an/a



Siena Biotech SpA

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha7 nAChR expressed in rat GH4C1 cells


J Med Chem 53: 4379-89 (2010)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50319671
PNG
(1-(4-Piperidin-1-yl)butyl-3-(4-pyridin-3-ylphenyl)...)
Show SMILES O=C(NCCCCN1CCCCC1)Nc1ccc(cc1)-c1cccnc1
Show InChI InChI=1S/C21H28N4O/c26-21(23-13-2-5-16-25-14-3-1-4-15-25)24-20-10-8-18(9-11-20)19-7-6-12-22-17-19/h6-12,17H,1-5,13-16H2,(H2,23,24,26)
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n/an/an/an/a 120n/an/an/an/a



Siena Biotech SpA

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha7 nAChR expressed in rat GH4C1 cells


J Med Chem 53: 4379-89 (2010)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50399293
PNG
(CHEMBL2086582)
Show SMILES COc1ccc(cc1)-c1cc(NC(=O)CCCCN2CCCN(CC2)C(C)=O)[nH]n1
Show InChI InChI=1S/C22H31N5O3/c1-17(28)27-13-5-12-26(14-15-27)11-4-3-6-22(29)23-21-16-20(24-25-21)18-7-9-19(30-2)10-8-18/h7-10,16H,3-6,11-15H2,1-2H3,(H2,23,24,25,29)
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n/an/an/an/a 126n/an/an/an/a



Siena Biotech SpA

Curated by ChEMBL


Assay Description
Agonist activity at rat alpha7 nAchR expressed in rat GH4C1 cells assessed as stimulation of calcium flux by FLIPR


J Med Chem 55: 10277-81 (2012)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50082083
PNG
(CHEMBL3422596)
Show SMILES CN1C[C@@H]2C[C@H]1CN2c1ccc(cc1)-c1cccnc1
Show InChI InChI=1/C17H19N3/c1-19-11-17-9-16(19)12-20(17)15-6-4-13(5-7-15)14-3-2-8-18-10-14/h2-8,10,16-17H,9,11-12H2,1H3/t16-,17-/s2
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n/an/an/an/a 126n/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Agonist activity at rat alpha7 nAChR expressed in GH4C1 cells by fluorescent calcium assay


Eur J Med Chem 95: 277-301 (2015)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
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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n/an/an/an/a 130n/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at rat alpha7 nAchR expressed in GH4C1 cells by whole cell patch clamp assay


J Med Chem 55: 9793-809 (2012)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50319679
PNG
(1-(4-Piperidin-1-ylbutyl)-3-(4-pyridin-2-ylphenyl)...)
Show SMILES O=C(NCCCCN1CCCCC1)Nc1ccc(cc1)-c1ccccn1
Show InChI InChI=1S/C21H28N4O/c26-21(23-14-4-7-17-25-15-5-1-6-16-25)24-19-11-9-18(10-12-19)20-8-2-3-13-22-20/h2-3,8-13H,1,4-7,14-17H2,(H2,23,24,26)
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n/an/an/an/a 130n/an/an/an/a



Siena Biotech SpA

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha7 nAChR expressed in rat GH4C1 cells


J Med Chem 53: 4379-89 (2010)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50319676
PNG
(1-(2'-fluorobiphenyl-4-yl)-3-(4-(piperidin-1-yl)bu...)
Show SMILES Fc1ccccc1-c1ccc(NC(=O)NCCCCN2CCCCC2)cc1
Show InChI InChI=1S/C22H28FN3O/c23-21-9-3-2-8-20(21)18-10-12-19(13-11-18)25-22(27)24-14-4-7-17-26-15-5-1-6-16-26/h2-3,8-13H,1,4-7,14-17H2,(H2,24,25,27)
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n/an/an/an/a 130n/an/an/an/a



Siena Biotech SpA

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha7 nAChR expressed in rat GH4C1 cells


J Med Chem 53: 4379-89 (2010)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50319675
PNG
(1-(2'-methoxybiphenyl-4-yl)-3-(4-(piperidin-1-yl)b...)
Show SMILES COc1ccccc1-c1ccc(NC(=O)NCCCCN2CCCCC2)cc1
Show InChI InChI=1S/C23H31N3O2/c1-28-22-10-4-3-9-21(22)19-11-13-20(14-12-19)25-23(27)24-15-5-8-18-26-16-6-2-7-17-26/h3-4,9-14H,2,5-8,15-18H2,1H3,(H2,24,25,27)
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n/an/an/an/a 140n/an/an/an/a



Siena Biotech SpA

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha7 nAChR expressed in rat GH4C1 cells


J Med Chem 53: 4379-89 (2010)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50399819
PNG
(CHEMBL2180264)
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+/m1/s1
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n/an/an/an/a 140n/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at rat alpha7 nAchR expressed in GH4C1 cells by whole cell patch clamp assay


J Med Chem 55: 9793-809 (2012)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50399821
PNG
(CHEMBL2180262)
Show SMILES COc1ccccc1-c1cccc2cc(oc12)C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1
Show InChI InChI=1S/C29H29N3O3/c1-34-25-10-3-2-8-22(25)23-9-4-7-21-17-26(35-28(21)23)29(33)31-27-20-11-14-32(15-12-20)24(27)16-19-6-5-13-30-18-19/h2-10,13,17-18,20,24,27H,11-12,14-16H2,1H3,(H,31,33)/t24-,27+/m0/s1
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Targacept, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at rat alpha7 nAchR expressed in GH4C1 cells by whole cell patch clamp assay


J Med Chem 55: 9793-809 (2012)

More data for this
Ligand-Target Pair
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