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Compile Data Set for Download or QSAR

Found 144 hits with Last Name = 'johnson' and Initial = 'rt'   
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 subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50164899
PNG
(5-Iodo-thiophene-2-carboxylic acid ((2R,3R)-2-pyri...)
Show SMILES Ic1ccc(s1)C(=O)N[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1 |wU:9.9,16.19,(12.83,1.4,;12.35,-.05,;13.24,-1.31,;12.35,-2.57,;10.88,-2.08,;10.88,-.54,;9.55,-2.85,;9.55,-4.39,;8.22,-2.08,;6.87,-2.85,;5.54,-2.06,;4.77,-3.39,;6.1,-4.16,;5.54,-5.14,;4.23,-4.39,;4.23,-2.85,;6.87,-4.39,;8.22,-5.16,;8.2,-6.7,;6.87,-7.45,;6.87,-8.99,;8.2,-9.76,;9.55,-8.99,;9.53,-7.45,)|
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-/m1/s1
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0.120n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against [3H]methyllycaconitine binding towards Nicotinic acetylcholine receptor alpha-7 of rat brain hippocampus


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


Article DOI: 10.1016/j.bmcl.2005.02.045
BindingDB Entry DOI: 10.7270/Q2GT5NX3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50164907
PNG
(5-Bromo-thiophene-3-carboxylic acid ((2R,3R)-2-pyr...)
Show SMILES Brc1cc(cs1)C(=O)N[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1 |wU:9.9,16.19,(10.46,1.7,;8.92,1.7,;8.03,.44,;6.56,.93,;6.56,2.47,;8.03,2.93,;5.23,.16,;5.23,-1.38,;3.9,.93,;2.55,.16,;1.22,.93,;.45,-.4,;1.78,-1.17,;1.22,-2.15,;-.09,-1.38,;-.09,.16,;2.55,-1.38,;3.9,-2.15,;3.88,-3.69,;2.55,-4.46,;2.55,-6,;3.88,-6.77,;5.23,-6,;5.21,-4.46,)|
Show InChI InChI=1S/C18H20BrN3OS/c19-16-9-14(11-24-16)18(23)21-17-13-3-6-22(7-4-13)15(17)8-12-2-1-5-20-10-12/h1-2,5,9-11,13,15,17H,3-4,6-8H2,(H,21,23)/t15-,17-/m1/s1
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0.400n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against [3H]methyllycaconitine binding towards Nicotinic acetylcholine receptor alpha-7 of rat brain hippocampus


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


Article DOI: 10.1016/j.bmcl.2005.02.045
BindingDB Entry DOI: 10.7270/Q2GT5NX3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50164951
PNG
((E)-3-Phenyl-N-((2R,3R)-2-pyridin-3-ylmethyl-1-aza...)
Show SMILES O=C(N[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1)\C=C\c1ccccc1 |wU:3.2,10.12,(6.07,.83,;6.07,2.36,;4.74,3.14,;3.39,2.38,;2.06,3.15,;.73,2.38,;.73,.83,;2.06,.06,;2.62,1.04,;1.28,1.82,;3.39,.83,;4.74,.06,;4.73,-1.49,;3.39,-2.26,;3.39,-3.81,;4.73,-4.57,;6.07,-3.81,;6.06,-2.26,;7.4,3.14,;8.72,2.36,;10.06,3.12,;10.06,4.65,;11.38,5.42,;12.71,4.64,;12.7,3.11,;11.38,2.36,)|
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-/m1/s1
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0.600n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against [3H]methyllycaconitine binding towards Nicotinic acetylcholine receptor alpha-7 of rat brain hippocampus


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


Article DOI: 10.1016/j.bmcl.2005.02.045
BindingDB Entry DOI: 10.7270/Q2GT5NX3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50164953
PNG
(5-Pyridin-2-yl-thiophene-2-carboxylic acid ((2R,3R...)
Show SMILES O=C(N[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1)c1ccc(s1)-c1ccccn1 |wU:3.2,10.12,(9.55,-6.55,;9.55,-5.01,;8.21,-4.24,;6.87,-5.01,;5.54,-4.24,;4.22,-5.01,;4.22,-6.55,;5.54,-7.33,;6.1,-6.34,;4.77,-5.57,;6.87,-6.55,;8.21,-7.33,;8.21,-8.87,;6.87,-9.64,;6.87,-11.18,;8.21,-11.96,;9.55,-11.18,;9.54,-9.64,;10.88,-4.24,;12.35,-4.73,;13.26,-3.47,;12.35,-2.23,;10.88,-2.7,;12.84,-.76,;11.81,.39,;12.28,1.82,;13.8,2.15,;14.82,1.02,;14.36,-.45,)|
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-/m1/s1
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0.700n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against [3H]methyllycaconitine binding towards Nicotinic acetylcholine receptor alpha-7 of rat brain hippocampus


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


Article DOI: 10.1016/j.bmcl.2005.02.045
BindingDB Entry DOI: 10.7270/Q2GT5NX3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(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 |wU:3.2,10.12,(5.23,-1.38,;5.23,.16,;3.9,.93,;2.55,.16,;1.22,.93,;.45,-.4,;1.78,-1.17,;1.22,-2.15,;-.09,-1.38,;-.09,.16,;2.55,-1.38,;3.9,-2.15,;3.88,-3.69,;2.55,-4.46,;2.55,-6,;3.88,-6.77,;5.23,-6,;5.21,-4.46,;6.56,.93,;8.03,.44,;8.94,1.7,;10.46,1.86,;11.08,3.27,;10.17,4.52,;8.64,4.36,;8.03,2.94,;6.56,2.47,)|
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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1n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against [3H]methyllycaconitine binding towards Nicotinic acetylcholine receptor alpha-7 of rat brain hippocampus


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


Article DOI: 10.1016/j.bmcl.2005.02.045
BindingDB Entry DOI: 10.7270/Q2GT5NX3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50164925
PNG
(1-Hydroxy-naphthalene-2-carboxylic acid ((2R,3R)-2...)
Show SMILES Oc1c(ccc2ccccc12)C(=O)N[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1 |wU:14.15,21.25,(10.27,6.38,;10.27,7.91,;8.96,8.68,;8.96,10.2,;10.27,10.97,;11.62,10.2,;12.94,10.97,;14.27,10.2,;14.27,8.66,;12.94,7.89,;11.61,8.67,;7.63,7.91,;7.63,6.38,;6.3,8.7,;4.96,7.91,;3.62,8.71,;2.3,7.91,;2.3,6.4,;3.62,5.63,;4.17,6.61,;2.84,7.38,;4.96,6.4,;6.3,5.61,;6.29,4.07,;4.94,3.31,;4.94,1.77,;6.29,1,;7.63,1.77,;7.62,3.31,)|
Show InChI InChI=1S/C24H25N3O2/c28-23-19-6-2-1-5-17(19)7-8-20(23)24(29)26-22-18-9-12-27(13-10-18)21(22)14-16-4-3-11-25-15-16/h1-8,11,15,18,21-22,28H,9-10,12-14H2,(H,26,29)/t21-,22-/m1/s1
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1n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against [3H]methyllycaconitine binding towards Nicotinic acetylcholine receptor alpha-7 of rat brain hippocampus


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


Article DOI: 10.1016/j.bmcl.2005.02.045
BindingDB Entry DOI: 10.7270/Q2GT5NX3
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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2.30n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against [3H]methyllycaconitine binding towards Nicotinic acetylcholine receptor alpha-7 of rat brain hippocampus


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


Article DOI: 10.1016/j.bmcl.2005.02.045
BindingDB Entry DOI: 10.7270/Q2GT5NX3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50164946
PNG
((4-Methoxy-phenyl)-carbamic acid (2R,3R)-2-pyridin...)
Show SMILES COc1ccc(NC(=O)O[C@@H]2C3CCN(CC3)[C@@H]2Cc2cccnc2)cc1 |wU:10.9,17.19,(17.48,-1.31,;17.5,.23,;16.15,1,;16.15,2.56,;14.82,3.33,;13.49,2.56,;12.16,3.33,;10.83,2.56,;10.83,1.02,;9.5,3.34,;8.17,2.57,;6.84,3.35,;6.05,2.02,;7.38,1.25,;6.84,.27,;5.51,1.03,;5.51,2.57,;8.17,1.03,;9.5,.26,;9.5,-1.28,;8.15,-2.04,;8.15,-3.58,;9.5,-4.35,;10.83,-3.58,;10.83,-2.04,;13.49,1.02,;14.82,.25,)|
Show InChI InChI=1S/C21H25N3O3/c1-26-18-6-4-17(5-7-18)23-21(25)27-20-16-8-11-24(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-/m1/s1
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5n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against [3H]methyllycaconitine binding towards Nicotinic acetylcholine receptor alpha-7 of rat brain hippocampus


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


Article DOI: 10.1016/j.bmcl.2005.02.045
BindingDB Entry DOI: 10.7270/Q2GT5NX3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50164930
PNG
((E)-2-Methyl-3-phenyl-N-((2R,3R)-2-pyridin-3-ylmet...)
Show SMILES C\C(=C/c1ccccc1)C(=O)N[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1 |wU:12.12,19.22,(7.42,4.67,;7.4,3.14,;8.72,2.36,;10.06,3.12,;11.38,2.36,;12.7,3.11,;12.71,4.64,;11.38,5.42,;10.06,4.65,;6.07,2.36,;6.07,.83,;4.74,3.14,;3.39,2.38,;2.06,3.15,;.73,2.38,;.73,.83,;2.06,.06,;2.62,1.04,;1.28,1.82,;3.39,.83,;4.74,.06,;4.73,-1.49,;3.39,-2.26,;3.39,-3.81,;4.73,-4.57,;6.07,-3.81,;6.06,-2.26,)|
Show InChI InChI=1S/C23H27N3O/c1-17(14-18-6-3-2-4-7-18)23(27)25-22-20-9-12-26(13-10-20)21(22)15-19-8-5-11-24-16-19/h2-8,11,14,16,20-22H,9-10,12-13,15H2,1H3,(H,25,27)/b17-14+/t21-,22-/m1/s1
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5n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against [3H]methyllycaconitine binding towards Nicotinic acetylcholine receptor alpha-7 of rat brain hippocampus


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


Article DOI: 10.1016/j.bmcl.2005.02.045
BindingDB Entry DOI: 10.7270/Q2GT5NX3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50164963
PNG
((4-Bromo-phenyl)-carbamic acid (2R,3R)-2-pyridin-3...)
Show SMILES Brc1ccc(NC(=O)O[C@@H]2C3CCN(CC3)[C@@H]2Cc2cccnc2)cc1 |wU:9.8,16.18,(13.94,-1.03,;12.6,-.26,;12.6,1.28,;11.27,2.05,;9.94,1.28,;8.61,2.07,;7.26,1.3,;7.26,-.24,;5.93,2.07,;4.6,1.3,;3.27,2.08,;2.5,.75,;3.83,-.02,;3.27,-1,;1.94,-.24,;1.94,1.3,;4.6,-.24,;5.93,-1.01,;5.93,-2.55,;4.6,-3.31,;4.6,-4.85,;5.93,-5.62,;7.26,-4.85,;7.26,-3.31,;9.92,-.26,;11.25,-1.03,)|
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-/m1/s1
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5n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against [3H]methyllycaconitine binding towards Nicotinic acetylcholine receptor alpha-7 of rat brain hippocampus


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


Article DOI: 10.1016/j.bmcl.2005.02.045
BindingDB Entry DOI: 10.7270/Q2GT5NX3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50164928
PNG
((4-Fluoro-phenyl)-carbamic acid (2R,3R)-2-pyridin-...)
Show SMILES Fc1ccc(NC(=O)O[C@@H]2C3CCN(CC3)[C@@H]2Cc2cccnc2)cc1 |wU:9.8,16.18,(17.5,.23,;16.15,1,;16.15,2.56,;14.82,3.33,;13.49,2.56,;12.16,3.33,;10.83,2.56,;10.83,1.02,;9.5,3.34,;8.17,2.57,;6.84,3.35,;6.05,2.02,;7.38,1.25,;6.84,.27,;5.51,1.03,;5.51,2.57,;8.17,1.03,;9.5,.26,;9.5,-1.28,;8.15,-2.04,;8.15,-3.58,;9.5,-4.35,;10.83,-3.58,;10.83,-2.04,;13.49,1.02,;14.82,.25,)|
Show InChI InChI=1S/C20H22FN3O2/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-/m1/s1
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6n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against [3H]methyllycaconitine binding towards Nicotinic acetylcholine receptor alpha-7 of rat brain hippocampus


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


Article DOI: 10.1016/j.bmcl.2005.02.045
BindingDB Entry DOI: 10.7270/Q2GT5NX3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50164935
PNG
(1-(3-Fluoro-phenyl)-3-((2R,3R)-2-pyridin-3-ylmethy...)
Show SMILES Fc1cccc(NC(=O)N[C@@H]2C3CCN(CC3)[C@@H]2Cc2cccnc2)c1 |wU:10.9,17.19,(16.12,4.38,;14.78,3.61,;14.78,2.07,;13.45,1.3,;12.12,2.07,;12.12,3.62,;10.79,4.39,;9.46,3.62,;9.46,2.08,;8.13,4.4,;6.79,3.63,;5.46,4.4,;4.67,3.07,;6,2.3,;5.46,1.32,;4.14,2.09,;4.14,3.63,;6.79,2.09,;8.13,1.32,;8.12,-.22,;6.77,-.99,;6.77,-2.53,;8.12,-3.3,;9.46,-2.53,;9.45,-.99,;13.45,4.38,)|
Show InChI InChI=1S/C20H23FN4O/c21-16-4-1-5-17(12-16)23-20(26)24-19-15-6-9-25(10-7-15)18(19)11-14-3-2-8-22-13-14/h1-5,8,12-13,15,18-19H,6-7,9-11H2,(H2,23,24,26)/t18-,19-/m1/s1
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6n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against [3H]methyllycaconitine binding towards Nicotinic acetylcholine receptor alpha-7 of rat brain hippocampus


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


Article DOI: 10.1016/j.bmcl.2005.02.045
BindingDB Entry DOI: 10.7270/Q2GT5NX3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50164956
PNG
(1-(4-Methylsulfanyl-phenyl)-3-((2R,3R)-2-pyridin-3...)
Show SMILES CSc1ccc(NC(=O)N[C@@H]2C3CCN(CC3)[C@@H]2Cc2cccnc2)cc1 |wU:10.9,17.19,(17.45,2.05,;16.12,1.28,;14.78,2.07,;14.78,3.61,;13.45,4.38,;12.12,3.62,;10.79,4.39,;9.46,3.62,;9.46,2.08,;8.13,4.4,;6.79,3.63,;5.46,4.4,;4.67,3.07,;6,2.3,;5.46,1.32,;4.14,2.09,;4.14,3.63,;6.79,2.09,;8.13,1.32,;8.12,-.22,;6.77,-.99,;6.77,-2.53,;8.12,-3.3,;9.46,-2.53,;9.45,-.99,;12.12,2.07,;13.45,1.3,)|
Show InChI InChI=1S/C21H26N4OS/c1-27-18-6-4-17(5-7-18)23-21(26)24-20-16-8-11-25(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,(H2,23,24,26)/t19-,20-/m1/s1
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6n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against [3H]methyllycaconitine binding towards Nicotinic acetylcholine receptor alpha-7 of rat brain hippocampus


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


Article DOI: 10.1016/j.bmcl.2005.02.045
BindingDB Entry DOI: 10.7270/Q2GT5NX3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50164913
PNG
(4-Bromo-N-((2R,3R)-2-pyridin-3-ylmethyl-1-aza-bicy...)
Show SMILES Brc1ccc(cc1)C(=O)N[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1 |wU:10.10,17.20,(14.57,4.83,;13.24,4.06,;11.9,4.83,;10.57,4.06,;10.57,2.53,;11.9,1.75,;13.24,2.52,;9.24,1.75,;9.24,.21,;7.9,2.54,;6.55,1.77,;5.22,2.54,;4.45,1.21,;5.78,.44,;5.22,-.55,;3.9,.23,;3.9,1.77,;6.55,.23,;7.9,-.55,;7.89,-2.09,;6.55,-2.86,;6.55,-4.4,;7.89,-5.18,;9.24,-4.4,;9.22,-2.86,)|
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-/m1/s1
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7n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against [3H]methyllycaconitine binding towards Nicotinic acetylcholine receptor alpha-7 of rat brain hippocampus


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


Article DOI: 10.1016/j.bmcl.2005.02.045
BindingDB Entry DOI: 10.7270/Q2GT5NX3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50164906
PNG
(CHEMBL194115 | Phenyl-carbamic acid (2R,3R)-2-pyri...)
Show SMILES O=C(Nc1ccccc1)O[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1 |wU:10.10,17.20,(7.26,-.24,;7.26,1.3,;8.61,2.07,;9.94,1.28,;9.92,-.26,;11.25,-1.03,;12.6,-.26,;12.6,1.28,;11.27,2.05,;5.93,2.07,;4.6,1.3,;3.27,2.08,;2.5,.75,;3.83,-.02,;3.27,-1,;1.94,-.24,;1.94,1.3,;4.6,-.24,;5.93,-1.01,;5.93,-2.55,;4.6,-3.31,;4.6,-4.85,;5.93,-5.62,;7.26,-4.85,;7.26,-3.31,)|
Show InChI InChI=1S/C20H23N3O2/c24-20(22-17-6-2-1-3-7-17)25-19-16-8-11-23(12-9-16)18(19)13-15-5-4-10-21-14-15/h1-7,10,14,16,18-19H,8-9,11-13H2,(H,22,24)/t18-,19-/m1/s1
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7n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against [3H]methyllycaconitine binding towards Nicotinic acetylcholine receptor alpha-7 of rat brain hippocampus


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


Article DOI: 10.1016/j.bmcl.2005.02.045
BindingDB Entry DOI: 10.7270/Q2GT5NX3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50164923
PNG
(1H-Indole-3-carboxylic acid ((2R,3R)-2-pyridin-3-y...)
Show SMILES O=C(N[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1)c1c[nH]c2ccccc12 |wU:3.2,10.12,(5.24,-1.39,;5.24,.16,;3.91,.93,;2.56,.16,;1.22,.94,;.45,-.4,;1.79,-1.17,;1.22,-2.15,;-.09,-1.39,;-.09,.16,;2.56,-1.39,;3.91,-2.16,;3.89,-3.7,;2.56,-4.47,;2.56,-6.01,;3.89,-6.78,;5.24,-6.01,;5.22,-4.47,;6.57,.93,;6.73,2.45,;8.23,2.76,;9,1.43,;10.48,1.11,;10.95,-.34,;9.92,-1.48,;8.43,-1.15,;7.97,.3,)|
Show InChI InChI=1S/C22H24N4O/c27-22(18-14-24-19-6-2-1-5-17(18)19)25-21-16-7-10-26(11-8-16)20(21)12-15-4-3-9-23-13-15/h1-6,9,13-14,16,20-21,24H,7-8,10-12H2,(H,25,27)/t20-,21-/m1/s1
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8n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against [3H]methyllycaconitine binding towards Nicotinic acetylcholine receptor alpha-7 of rat brain hippocampus


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


Article DOI: 10.1016/j.bmcl.2005.02.045
BindingDB Entry DOI: 10.7270/Q2GT5NX3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50164903
PNG
(1-(4-Bromo-phenyl)-3-((2R,3R)-2-pyridin-3-ylmethyl...)
Show SMILES Brc1ccc(NC(=O)N[C@@H]2C3CCN(CC3)[C@@H]2Cc2cccnc2)cc1 |wU:9.8,16.18,(17.5,.23,;16.15,1,;14.82,.25,;13.49,1.02,;13.49,2.56,;12.16,3.33,;10.83,2.56,;10.83,1.02,;9.5,3.34,;8.17,2.57,;6.84,3.35,;6.05,2.02,;7.38,1.25,;6.84,.27,;5.51,1.03,;5.51,2.57,;8.17,1.03,;9.5,.26,;9.5,-1.28,;8.15,-2.04,;8.15,-3.58,;9.5,-4.35,;10.83,-3.58,;10.83,-2.04,;14.82,3.33,;16.15,2.56,)|
Show InChI InChI=1S/C20H23BrN4O/c21-16-3-5-17(6-4-16)23-20(26)24-19-15-7-10-25(11-8-15)18(19)12-14-2-1-9-22-13-14/h1-6,9,13,15,18-19H,7-8,10-12H2,(H2,23,24,26)/t18-,19-/m1/s1
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9n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against [3H]methyllycaconitine binding towards Nicotinic acetylcholine receptor alpha-7 of rat brain hippocampus


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


Article DOI: 10.1016/j.bmcl.2005.02.045
BindingDB Entry DOI: 10.7270/Q2GT5NX3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50164937
PNG
((4-Phenylsulfanyl-phenyl)-carbamic acid (2R,3R)-2-...)
Show SMILES O=C(Nc1ccc(Sc2ccccc2)cc1)O[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1 |wU:17.18,24.28,(7.26,-.24,;7.26,1.3,;8.61,2.07,;9.94,1.28,;11.27,2.05,;12.6,1.28,;12.6,-.26,;13.94,-1.03,;13.93,-2.57,;15.26,-3.34,;15.27,-4.88,;13.93,-5.65,;12.58,-4.88,;12.6,-3.34,;11.25,-1.03,;9.92,-.26,;5.93,2.07,;4.6,1.3,;3.27,2.08,;1.94,1.3,;1.94,-.24,;3.27,-1,;3.83,-.02,;2.5,.75,;4.6,-.24,;5.93,-1.01,;5.93,-2.55,;4.6,-3.31,;4.6,-4.85,;5.93,-5.62,;7.26,-4.85,;7.26,-3.31,)|
Show InChI InChI=1S/C26H27N3O2S/c30-26(28-21-8-10-23(11-9-21)32-22-6-2-1-3-7-22)31-25-20-12-15-29(16-13-20)24(25)17-19-5-4-14-27-18-19/h1-11,14,18,20,24-25H,12-13,15-17H2,(H,28,30)/t24-,25-/m1/s1
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9n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against [3H]methyllycaconitine binding towards Nicotinic acetylcholine receptor alpha-7 of rat brain hippocampus


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


Article DOI: 10.1016/j.bmcl.2005.02.045
BindingDB Entry DOI: 10.7270/Q2GT5NX3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50164898
PNG
(4-Phenylsulfanyl-N-((2R,3R)-2-pyridin-3-ylmethyl-1...)
Show SMILES O=C(N[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1)c1ccc(Sc2ccccc2)cc1 |wU:3.2,10.12,(10.48,-1.13,;10.48,.41,;9.15,1.18,;7.8,.41,;6.47,1.19,;5.16,.41,;5.16,-1.13,;6.47,-1.89,;7.03,-.91,;5.7,-.14,;7.8,-1.13,;9.15,-1.9,;9.13,-3.44,;7.8,-4.2,;7.8,-5.74,;9.13,-6.51,;10.48,-5.74,;10.46,-4.2,;11.81,1.18,;11.81,2.71,;13.14,3.48,;14.48,2.7,;15.81,3.47,;17.15,2.7,;18.47,3.47,;19.8,2.71,;19.81,1.16,;18.47,.39,;17.14,1.16,;14.48,1.16,;13.14,.4,)|
Show InChI InChI=1S/C26H27N3OS/c30-26(21-8-10-23(11-9-21)31-22-6-2-1-3-7-22)28-25-20-12-15-29(16-13-20)24(25)17-19-5-4-14-27-18-19/h1-11,14,18,20,24-25H,12-13,15-17H2,(H,28,30)/t24-,25-/m1/s1
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9n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against [3H]methyllycaconitine binding towards Nicotinic acetylcholine receptor alpha-7 of rat brain hippocampus


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


Article DOI: 10.1016/j.bmcl.2005.02.045
BindingDB Entry DOI: 10.7270/Q2GT5NX3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50164934
PNG
((4-Bromo-phenyl)-carbamic acid (2R,3R)-2-imidazol-...)
Show SMILES Brc1ccc(NC(=O)O[C@@H]2C3CCN(CC3)[C@@H]2Cn2ccnc2)cc1 |wU:9.8,16.18,(17.32,1.56,;15.98,2.33,;14.64,1.56,;13.31,2.33,;13.32,3.89,;11.99,4.66,;10.65,3.89,;10.65,2.35,;9.32,4.66,;7.99,3.89,;6.66,4.67,;5.88,3.34,;7.21,2.57,;6.66,1.59,;5.33,2.35,;5.33,3.89,;7.99,2.35,;9.32,1.58,;9.32,.04,;10.57,-.85,;10.09,-2.32,;8.55,-2.32,;8.07,-.85,;14.65,4.64,;15.98,3.89,)|
Show InChI InChI=1S/C18H21BrN4O2/c19-14-1-3-15(4-2-14)21-18(24)25-17-13-5-8-23(9-6-13)16(17)11-22-10-7-20-12-22/h1-4,7,10,12-13,16-17H,5-6,8-9,11H2,(H,21,24)/t16-,17-/m1/s1
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10n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against [3H]methyllycaconitine binding towards Nicotinic acetylcholine receptor alpha-7 of rat brain hippocampus


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


Article DOI: 10.1016/j.bmcl.2005.02.045
BindingDB Entry DOI: 10.7270/Q2GT5NX3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50164911
PNG
(4-Fluoro-N-((2R,3R)-2-pyridin-3-ylmethyl-1-aza-bic...)
Show SMILES Fc1ccc(cc1)C(=O)N[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1 |wU:10.10,17.20,(14.57,4.83,;13.24,4.06,;11.9,4.83,;10.57,4.06,;10.57,2.53,;11.9,1.75,;13.24,2.52,;9.24,1.75,;9.24,.21,;7.9,2.54,;6.55,1.77,;5.22,2.54,;4.45,1.21,;5.78,.44,;5.22,-.55,;3.9,.23,;3.9,1.77,;6.55,.23,;7.9,-.55,;7.89,-2.09,;6.55,-2.86,;6.55,-4.4,;7.89,-5.18,;9.24,-4.4,;9.22,-2.86,)|
Show InChI InChI=1S/C20H22FN3O/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-/m1/s1
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12n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against [3H]methyllycaconitine binding towards Nicotinic acetylcholine receptor alpha-7 of rat brain hippocampus


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


Article DOI: 10.1016/j.bmcl.2005.02.045
BindingDB Entry DOI: 10.7270/Q2GT5NX3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50164952
PNG
(1-Phenyl-3-((2R,3R)-2-pyridin-3-ylmethyl-1-aza-bic...)
Show SMILES O=C(N[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1)Nc1ccccc1 |wU:3.2,10.12,(9.15,-.02,;9.15,1.52,;7.82,2.3,;6.49,1.53,;5.16,2.3,;4.37,.97,;5.7,.2,;5.16,-.78,;3.83,-.01,;3.83,1.53,;6.49,-.01,;7.82,-.78,;7.82,-2.32,;6.47,-3.09,;6.47,-4.63,;7.82,-5.4,;9.15,-4.63,;9.15,-3.09,;10.48,2.29,;11.81,1.52,;13.14,2.28,;14.47,1.51,;14.47,-.03,;13.14,-.8,;11.81,-.03,)|
Show InChI InChI=1S/C20H24N4O/c25-20(22-17-6-2-1-3-7-17)23-19-16-8-11-24(12-9-16)18(19)13-15-5-4-10-21-14-15/h1-7,10,14,16,18-19H,8-9,11-13H2,(H2,22,23,25)/t18-,19-/m1/s1
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16n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against [3H]methyllycaconitine binding towards Nicotinic acetylcholine receptor alpha-7 of rat brain hippocampus


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


Article DOI: 10.1016/j.bmcl.2005.02.045
BindingDB Entry DOI: 10.7270/Q2GT5NX3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50164919
PNG
(1-(4-Phenoxy-phenyl)-3-((2R,3R)-2-pyridin-3-ylmeth...)
Show SMILES O=C(N[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1)Nc1ccc(Oc2ccccc2)cc1 |wU:3.2,10.12,(9.46,2.08,;9.46,3.62,;8.13,4.4,;6.79,3.63,;5.46,4.4,;4.67,3.07,;6,2.3,;5.46,1.32,;4.14,2.09,;4.14,3.63,;6.79,2.09,;8.13,1.32,;8.12,-.22,;6.77,-.99,;6.77,-2.53,;8.12,-3.3,;9.46,-2.53,;9.45,-.99,;10.79,4.39,;12.12,3.62,;12.12,2.07,;13.45,1.3,;14.78,2.07,;16.12,1.28,;17.45,2.05,;17.45,3.59,;18.78,4.36,;20.12,3.59,;20.12,2.05,;18.78,1.28,;14.78,3.61,;13.45,4.38,)|
Show InChI InChI=1S/C26H28N4O2/c31-26(28-21-8-10-23(11-9-21)32-22-6-2-1-3-7-22)29-25-20-12-15-30(16-13-20)24(25)17-19-5-4-14-27-18-19/h1-11,14,18,20,24-25H,12-13,15-17H2,(H2,28,29,31)/t24-,25-/m1/s1
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16n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against [3H]methyllycaconitine binding towards Nicotinic acetylcholine receptor alpha-7 of rat brain hippocampus


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


Article DOI: 10.1016/j.bmcl.2005.02.045
BindingDB Entry DOI: 10.7270/Q2GT5NX3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50164912
PNG
((4-Bromo-phenyl)-carbamic acid (2R,3R)-2-(4-methox...)
Show SMILES COc1ccncc1C[C@@H]1[C@H](OC(=O)Nc2ccc(Br)cc2)C2CCN1CC2 |wU:9.9,10.11,(17.76,-4.14,;16.43,-3.38,;15.08,-4.15,;15.1,-5.69,;13.75,-6.46,;12.42,-5.69,;12.42,-4.15,;13.75,-3.39,;13.77,-1.85,;12.42,-1.08,;12.42,.46,;13.77,1.23,;15.1,.46,;15.1,-1.08,;16.44,1.23,;17.77,.44,;19.1,1.21,;20.43,.44,;20.43,-1.1,;21.76,-1.87,;19.09,-1.87,;17.76,-1.1,;11.09,1.24,;10.32,-.09,;11.65,-.86,;11.09,-1.84,;9.78,-1.08,;9.78,.46,)|
Show InChI InChI=1S/C21H24BrN3O3/c1-27-19-6-9-23-13-15(19)12-18-20(14-7-10-25(18)11-8-14)28-21(26)24-17-4-2-16(22)3-5-17/h2-6,9,13-14,18,20H,7-8,10-12H2,1H3,(H,24,26)/t18-,20-/m1/s1
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29n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against [3H]methyllycaconitine binding towards Nicotinic acetylcholine receptor alpha-7 of rat brain hippocampus


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


Article DOI: 10.1016/j.bmcl.2005.02.045
BindingDB Entry DOI: 10.7270/Q2GT5NX3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50164957
PNG
(1-(2-Methoxy-phenyl)-3-((2R,3R)-2-pyridin-3-ylmeth...)
Show SMILES COc1ccccc1NC(=O)N[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1 |wU:12.12,19.22,(13.49,5.64,;14.84,4.87,;14.82,3.33,;16.15,2.56,;16.15,1,;14.82,.25,;13.49,1.02,;13.49,2.56,;12.16,3.33,;10.83,2.56,;10.83,1.02,;9.5,3.34,;8.17,2.57,;6.84,3.35,;6.05,2.02,;7.38,1.25,;6.84,.27,;5.51,1.03,;5.51,2.57,;8.17,1.03,;9.5,.26,;9.5,-1.28,;8.15,-2.04,;8.15,-3.58,;9.5,-4.35,;10.83,-3.58,;10.83,-2.04,)|
Show InChI InChI=1S/C21H26N4O2/c1-27-19-7-3-2-6-17(19)23-21(26)24-20-16-8-11-25(12-9-16)18(20)13-15-5-4-10-22-14-15/h2-7,10,14,16,18,20H,8-9,11-13H2,1H3,(H2,23,24,26)/t18-,20-/m1/s1
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30n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against [3H]methyllycaconitine binding towards Nicotinic acetylcholine receptor alpha-7 of rat brain hippocampus


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


Article DOI: 10.1016/j.bmcl.2005.02.045
BindingDB Entry DOI: 10.7270/Q2GT5NX3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50164904
PNG
(1-(2,4-Dimethoxy-phenyl)-3-((2R,3R)-2-pyridin-3-yl...)
Show SMILES COc1ccc(NC(=O)N[C@@H]2C3CCN(CC3)[C@@H]2Cc2cccnc2)c(OC)c1 |wU:10.9,17.19,(17.81,-.05,;16.48,-.82,;15.14,-.03,;13.8,-.8,;12.47,-.03,;12.48,1.52,;11.15,2.29,;9.81,1.52,;9.81,-.02,;8.48,2.3,;7.15,1.53,;5.82,2.3,;5.04,.97,;6.37,.2,;5.82,-.78,;4.49,-.01,;4.49,1.53,;7.15,-.01,;8.48,-.78,;8.48,-2.32,;7.14,-3.09,;7.14,-4.63,;8.48,-5.4,;9.81,-4.63,;9.81,-3.09,;13.81,2.28,;13.82,3.82,;12.48,4.59,;15.14,1.51,)|
Show InChI InChI=1S/C22H28N4O3/c1-28-17-5-6-18(20(13-17)29-2)24-22(27)25-21-16-7-10-26(11-8-16)19(21)12-15-4-3-9-23-14-15/h3-6,9,13-14,16,19,21H,7-8,10-12H2,1-2H3,(H2,24,25,27)/t19-,21-/m1/s1
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31n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against [3H]methyllycaconitine binding towards Nicotinic acetylcholine receptor alpha-7 of rat brain hippocampus


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


Article DOI: 10.1016/j.bmcl.2005.02.045
BindingDB Entry DOI: 10.7270/Q2GT5NX3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50164949
PNG
(1-(3,4-Dichloro-phenyl)-3-((2R,3R)-2-pyridin-3-ylm...)
Show SMILES Clc1ccc(NC(=O)N[C@@H]2C3CCN(CC3)[C@@H]2Cc2cccnc2)cc1Cl |wU:9.8,16.18,(16.12,1.3,;14.78,2.07,;13.45,1.3,;12.12,2.07,;12.12,3.62,;10.79,4.39,;9.46,3.62,;9.46,2.08,;8.13,4.4,;6.79,3.63,;5.46,4.4,;4.67,3.07,;6,2.3,;5.46,1.32,;4.14,2.09,;4.14,3.63,;6.79,2.09,;8.13,1.32,;8.12,-.22,;6.77,-.99,;6.77,-2.53,;8.12,-3.3,;9.46,-2.53,;9.45,-.99,;13.45,4.38,;14.78,3.61,;16.12,4.38,)|
Show InChI InChI=1S/C20H22Cl2N4O/c21-16-4-3-15(11-17(16)22)24-20(27)25-19-14-5-8-26(9-6-14)18(19)10-13-2-1-7-23-12-13/h1-4,7,11-12,14,18-19H,5-6,8-10H2,(H2,24,25,27)/t18-,19-/m1/s1
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34n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against [3H]methyllycaconitine binding towards Nicotinic acetylcholine receptor alpha-7 of rat brain hippocampus


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


Article DOI: 10.1016/j.bmcl.2005.02.045
BindingDB Entry DOI: 10.7270/Q2GT5NX3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50164955
PNG
(1-(4-Methoxy-phenyl)-3-((2R,3R)-2-pyridin-3-ylmeth...)
Show SMILES COc1ccc(NC(=O)N[C@@H]2C3CCN(CC3)[C@@H]2Cc2cccnc2)cc1 |wU:10.9,17.19,(17.81,-.05,;16.48,-.82,;15.14,-.03,;13.8,-.8,;12.47,-.03,;12.48,1.52,;11.15,2.29,;9.81,1.52,;9.81,-.02,;8.48,2.3,;7.15,1.53,;5.82,2.3,;5.04,.97,;6.37,.2,;5.82,-.78,;4.49,-.01,;4.49,1.53,;7.15,-.01,;8.48,-.78,;8.48,-2.32,;7.14,-3.09,;7.14,-4.63,;8.48,-5.4,;9.81,-4.63,;9.81,-3.09,;13.81,2.28,;15.14,1.51,)|
Show InChI InChI=1S/C21H26N4O2/c1-27-18-6-4-17(5-7-18)23-21(26)24-20-16-8-11-25(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,(H2,23,24,26)/t19-,20-/m1/s1
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37n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against [3H]methyllycaconitine binding towards Nicotinic acetylcholine receptor alpha-7 of rat brain hippocampus


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


Article DOI: 10.1016/j.bmcl.2005.02.045
BindingDB Entry DOI: 10.7270/Q2GT5NX3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50164938
PNG
(1-(4-Dimethylamino-phenyl)-3-((2R,3R)-2-pyridin-3-...)
Show SMILES CN(C)c1ccc(NC(=O)N[C@@H]2C3CCN(CC3)[C@@H]2Cc2cccnc2)cc1 |wU:11.10,18.20,(16.11,-.24,;16.12,1.3,;17.45,2.07,;14.78,2.07,;14.78,3.61,;13.45,4.38,;12.12,3.62,;10.79,4.39,;9.46,3.62,;9.46,2.08,;8.13,4.4,;6.79,3.63,;5.46,4.4,;4.67,3.07,;6,2.3,;5.46,1.32,;4.14,2.09,;4.14,3.63,;6.79,2.09,;8.13,1.32,;8.12,-.22,;6.77,-.99,;6.77,-2.53,;8.12,-3.3,;9.46,-2.53,;9.45,-.99,;12.12,2.07,;13.45,1.3,)|
Show InChI InChI=1S/C22H29N5O/c1-26(2)19-7-5-18(6-8-19)24-22(28)25-21-17-9-12-27(13-10-17)20(21)14-16-4-3-11-23-15-16/h3-8,11,15,17,20-21H,9-10,12-14H2,1-2H3,(H2,24,25,28)/t20-,21-/m1/s1
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38n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against [3H]methyllycaconitine binding towards Nicotinic acetylcholine receptor alpha-7 of rat brain hippocampus


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


Article DOI: 10.1016/j.bmcl.2005.02.045
BindingDB Entry DOI: 10.7270/Q2GT5NX3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50164959
PNG
((4-Bromo-phenyl)-carbamic acid 1-aza-bicyclo[2.2.2...)
Show SMILES Brc1ccc(NC(=O)OC2CN3CCC2CC3)cc1 |(13.94,-1.03,;12.6,-.26,;11.25,-1.03,;9.92,-.26,;9.94,1.28,;8.61,2.07,;7.26,1.3,;7.26,-.24,;5.93,2.07,;4.6,1.3,;4.6,-.24,;3.27,-1,;1.94,-.24,;1.94,1.3,;3.27,2.08,;2.5,.75,;3.83,-.02,;11.27,2.05,;12.6,1.28,)|
Show InChI InChI=1S/C14H17BrN2O2/c15-11-1-3-12(4-2-11)16-14(18)19-13-9-17-7-5-10(13)6-8-17/h1-4,10,13H,5-9H2,(H,16,18)
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40n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against [3H]methyllycaconitine binding towards Nicotinic acetylcholine receptor alpha-7 of rat brain hippocampus


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


Article DOI: 10.1016/j.bmcl.2005.02.045
BindingDB Entry DOI: 10.7270/Q2GT5NX3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50164931
PNG
((4-Bromo-phenyl)-carbamic acid (2R,3R)-2-pyrimidin...)
Show SMILES Brc1ccc(NC(=O)O[C@@H]2C3CCN(CC3)[C@@H]2Cc2cncnc2)cc1 |wU:9.8,16.18,(16.8,-.4,;15.45,.35,;15.45,1.91,;14.12,2.68,;12.79,1.91,;11.46,2.68,;10.13,1.91,;10.13,.37,;8.8,2.68,;7.47,1.91,;6.14,2.7,;4.81,1.91,;4.81,.37,;6.14,-.38,;6.68,.6,;5.35,1.37,;7.47,.37,;8.8,-.4,;8.8,-1.94,;10.13,-2.69,;10.13,-4.23,;8.8,-5,;7.45,-4.23,;7.45,-2.69,;12.79,.37,;14.12,-.4,)|
Show InChI InChI=1S/C19H21BrN4O2/c20-15-1-3-16(4-2-15)23-19(25)26-18-14-5-7-24(8-6-14)17(18)9-13-10-21-12-22-11-13/h1-4,10-12,14,17-18H,5-9H2,(H,23,25)/t17-,18-/m1/s1
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40n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against [3H]methyllycaconitine binding towards Nicotinic acetylcholine receptor alpha-7 of rat brain hippocampus


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


Article DOI: 10.1016/j.bmcl.2005.02.045
BindingDB Entry DOI: 10.7270/Q2GT5NX3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50164943
PNG
(1-(3-Methoxy-phenyl)-3-((2R,3R)-2-pyridin-3-ylmeth...)
Show SMILES COc1cccc(NC(=O)N[C@@H]2C3CCN(CC3)[C@@H]2Cc2cccnc2)c1 |wU:11.10,18.20,(17.5,4.87,;17.51,3.33,;16.15,2.56,;16.15,1,;14.82,.25,;13.49,1.02,;13.49,2.56,;12.16,3.33,;10.83,2.56,;10.83,1.02,;9.5,3.34,;8.17,2.57,;6.84,3.35,;6.05,2.02,;7.38,1.25,;6.84,.27,;5.51,1.03,;5.51,2.57,;8.17,1.03,;9.5,.26,;9.5,-1.28,;8.15,-2.04,;8.15,-3.58,;9.5,-4.35,;10.83,-3.58,;10.83,-2.04,;14.82,3.33,)|
Show InChI InChI=1S/C21H26N4O2/c1-27-18-6-2-5-17(13-18)23-21(26)24-20-16-7-10-25(11-8-16)19(20)12-15-4-3-9-22-14-15/h2-6,9,13-14,16,19-20H,7-8,10-12H2,1H3,(H2,23,24,26)/t19-,20-/m1/s1
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43n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against [3H]methyllycaconitine binding towards Nicotinic acetylcholine receptor alpha-7 of rat brain hippocampus


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


Article DOI: 10.1016/j.bmcl.2005.02.045
BindingDB Entry DOI: 10.7270/Q2GT5NX3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50164929
PNG
((4-Phenoxy-phenyl)-carbamic acid (2R,3R)-2-pyridin...)
Show SMILES O=C(Nc1ccc(Oc2ccccc2)cc1)O[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1 |wU:17.18,24.28,(10.83,1.02,;10.83,2.56,;12.16,3.33,;13.49,2.56,;14.82,3.33,;16.15,2.56,;16.15,1,;17.5,.23,;17.48,-1.31,;18.81,-2.06,;18.81,-3.6,;17.48,-4.39,;16.15,-3.6,;16.15,-2.06,;14.82,.25,;13.49,1.02,;9.5,3.34,;8.17,2.57,;6.84,3.35,;6.05,2.02,;7.38,1.25,;6.84,.27,;5.51,1.03,;5.51,2.57,;8.17,1.03,;9.5,.26,;9.5,-1.28,;8.15,-2.04,;8.15,-3.58,;9.5,-4.35,;10.83,-3.58,;10.83,-2.04,)|
Show InChI InChI=1S/C26H27N3O3/c30-26(28-21-8-10-23(11-9-21)31-22-6-2-1-3-7-22)32-25-20-12-15-29(16-13-20)24(25)17-19-5-4-14-27-18-19/h1-11,14,18,20,24-25H,12-13,15-17H2,(H,28,30)/t24-,25-/m1/s1
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50n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against [3H]methyllycaconitine binding towards Nicotinic acetylcholine receptor alpha-7 of rat brain hippocampus


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


Article DOI: 10.1016/j.bmcl.2005.02.045
BindingDB Entry DOI: 10.7270/Q2GT5NX3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50164895
PNG
(1-(3-Bromo-phenyl)-3-((2R,3R)-2-pyridin-3-ylmethyl...)
Show SMILES Brc1cccc(NC(=O)N[C@@H]2C3CCN(CC3)[C@@H]2Cc2cccnc2)c1 |wU:10.9,17.19,(17.5,3.33,;16.15,2.56,;16.15,1,;14.82,.25,;13.49,1.02,;13.49,2.56,;12.16,3.33,;10.83,2.56,;10.83,1.02,;9.5,3.34,;8.17,2.57,;6.84,3.35,;6.05,2.02,;7.38,1.25,;6.84,.27,;5.51,1.03,;5.51,2.57,;8.17,1.03,;9.5,.26,;9.5,-1.28,;8.15,-2.04,;8.15,-3.58,;9.5,-4.35,;10.83,-3.58,;10.83,-2.04,;14.82,3.33,)|
Show InChI InChI=1S/C20H23BrN4O/c21-16-4-1-5-17(12-16)23-20(26)24-19-15-6-9-25(10-7-15)18(19)11-14-3-2-8-22-13-14/h1-5,8,12-13,15,18-19H,6-7,9-11H2,(H2,23,24,26)/t18-,19-/m1/s1
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52n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against [3H]methyllycaconitine binding towards Nicotinic acetylcholine receptor alpha-7 of rat brain hippocampus


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


Article DOI: 10.1016/j.bmcl.2005.02.045
BindingDB Entry DOI: 10.7270/Q2GT5NX3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50164900
PNG
(CHEMBL194291 | N-((2R,3R)-2-Pyridin-3-ylmethyl-1-a...)
Show SMILES O=C(N[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1)c1ccccc1 |wU:3.2,10.12,(9.24,.21,;9.24,1.75,;7.9,2.54,;6.55,1.77,;5.22,2.54,;4.45,1.21,;5.78,.44,;5.22,-.55,;3.9,.23,;3.9,1.77,;6.55,.23,;7.9,-.55,;7.89,-2.09,;6.55,-2.86,;6.55,-4.4,;7.89,-5.18,;9.24,-4.4,;9.22,-2.86,;10.57,2.53,;10.57,4.06,;11.9,4.83,;13.24,4.06,;13.24,2.52,;11.9,1.75,)|
Show InChI InChI=1S/C20H23N3O/c24-20(17-6-2-1-3-7-17)22-19-16-8-11-23(12-9-16)18(19)13-15-5-4-10-21-14-15/h1-7,10,14,16,18-19H,8-9,11-13H2,(H,22,24)/t18-,19-/m1/s1
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52n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against [3H]methyllycaconitine binding towards Nicotinic acetylcholine receptor alpha-7 of rat brain hippocampus


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


Article DOI: 10.1016/j.bmcl.2005.02.045
BindingDB Entry DOI: 10.7270/Q2GT5NX3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50164932
PNG
((4-Phenylsulfanyl-phenyl)-carbamic acid 1-aza-bicy...)
Show SMILES O=C(Nc1ccc(Sc2ccccc2)cc1)OC1CN2CCC1CC2 |(7.26,-.24,;7.26,1.3,;8.61,2.07,;9.94,1.28,;9.92,-.26,;11.25,-1.03,;12.6,-.26,;13.94,-1.03,;13.93,-2.57,;15.26,-3.34,;15.27,-4.88,;13.93,-5.65,;12.58,-4.88,;12.6,-3.34,;12.6,1.28,;11.27,2.05,;5.93,2.07,;4.6,1.3,;4.6,-.24,;3.27,-1,;3.83,-.02,;2.5,.75,;3.27,2.08,;1.94,1.3,;1.94,-.24,)|
Show InChI InChI=1S/C20H22N2O2S/c23-20(24-19-14-22-12-10-15(19)11-13-22)21-16-6-8-18(9-7-16)25-17-4-2-1-3-5-17/h1-9,15,19H,10-14H2,(H,21,23)
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53n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against [3H]methyllycaconitine binding towards Nicotinic acetylcholine receptor alpha-7 of rat brain hippocampus


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


Article DOI: 10.1016/j.bmcl.2005.02.045
BindingDB Entry DOI: 10.7270/Q2GT5NX3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50164914
PNG
(3-Bromo-N-((2R,3R)-2-pyridin-3-ylmethyl-1-aza-bicy...)
Show SMILES Brc1cccc(c1)C(=O)N[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1 |wU:10.10,17.20,(11.9,6.38,;11.9,4.83,;13.24,4.06,;13.24,2.52,;11.9,1.75,;10.57,2.53,;10.57,4.06,;9.24,1.75,;9.24,.21,;7.9,2.54,;6.55,1.77,;5.22,2.54,;3.9,1.77,;3.9,.23,;5.22,-.55,;5.78,.44,;4.45,1.21,;6.55,.23,;7.9,-.55,;7.89,-2.09,;6.55,-2.86,;6.55,-4.4,;7.89,-5.18,;9.24,-4.4,;9.22,-2.86,)|
Show InChI InChI=1S/C20H22BrN3O/c21-17-5-1-4-16(12-17)20(25)23-19-15-6-9-24(10-7-15)18(19)11-14-3-2-8-22-13-14/h1-5,8,12-13,15,18-19H,6-7,9-11H2,(H,23,25)/t18-,19-/m1/s1
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64n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against [3H]methyllycaconitine binding towards Nicotinic acetylcholine receptor alpha-7 of rat brain hippocampus


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


Article DOI: 10.1016/j.bmcl.2005.02.045
BindingDB Entry DOI: 10.7270/Q2GT5NX3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50164962
PNG
(1-(4-Fluoro-phenyl)-3-((2R,3R)-2-pyridin-3-ylmethy...)
Show SMILES Fc1ccc(NC(=O)N[C@@H]2C3CCN(CC3)[C@@H]2Cc2cccnc2)cc1 |wU:9.8,16.18,(16.12,1.3,;14.78,2.07,;13.45,1.3,;12.12,2.07,;12.12,3.62,;10.79,4.39,;9.46,3.62,;9.46,2.08,;8.13,4.4,;6.79,3.63,;5.46,4.4,;4.67,3.07,;6,2.3,;5.46,1.32,;4.14,2.09,;4.14,3.63,;6.79,2.09,;8.13,1.32,;8.12,-.22,;6.77,-.99,;6.77,-2.53,;8.12,-3.3,;9.46,-2.53,;9.45,-.99,;13.45,4.38,;14.78,3.61,)|
Show InChI InChI=1S/C20H23FN4O/c21-16-3-5-17(6-4-16)23-20(26)24-19-15-7-10-25(11-8-15)18(19)12-14-2-1-9-22-13-14/h1-6,9,13,15,18-19H,7-8,10-12H2,(H2,23,24,26)/t18-,19-/m1/s1
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74n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against [3H]methyllycaconitine binding towards Nicotinic acetylcholine receptor alpha-7 of rat brain hippocampus


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


Article DOI: 10.1016/j.bmcl.2005.02.045
BindingDB Entry DOI: 10.7270/Q2GT5NX3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50164909
PNG
((E)-3-Phenyl-but-2-enoic acid ((2R,3R)-2-pyridin-3...)
Show SMILES C\C(=C/C(=O)N[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1)c1ccccc1 |wU:6.5,13.15,(8.72,.83,;8.72,2.36,;7.4,3.14,;6.07,2.36,;6.07,.83,;4.74,3.14,;3.39,2.38,;2.06,3.15,;1.28,1.82,;2.62,1.04,;2.06,.06,;.73,.83,;.73,2.38,;3.39,.83,;4.74,.06,;4.73,-1.49,;3.39,-2.26,;3.39,-3.81,;4.73,-4.57,;6.07,-3.81,;6.06,-2.26,;10.06,3.12,;11.38,2.36,;12.7,3.11,;12.71,4.64,;11.38,5.42,;10.06,4.65,)|
Show InChI InChI=1S/C23H27N3O/c1-17(19-7-3-2-4-8-19)14-22(27)25-23-20-9-12-26(13-10-20)21(23)15-18-6-5-11-24-16-18/h2-8,11,14,16,20-21,23H,9-10,12-13,15H2,1H3,(H,25,27)/b17-14+/t21-,23-/m1/s1
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87n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against [3H]methyllycaconitine binding towards Nicotinic acetylcholine receptor alpha-7 of rat brain hippocampus


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


Article DOI: 10.1016/j.bmcl.2005.02.045
BindingDB Entry DOI: 10.7270/Q2GT5NX3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50164922
PNG
(1-((2R,3R)-2-Pyridin-3-ylmethyl-1-aza-bicyclo[2.2....)
Show SMILES FC(F)(F)c1cccc(NC(=O)N[C@@H]2C3CCN(CC3)[C@@H]2Cc2cccnc2)c1 |wU:13.12,20.22,(17.45,5.17,;16.12,4.38,;16.89,3.05,;15.34,5.71,;14.78,3.61,;14.78,2.07,;13.45,1.3,;12.12,2.07,;12.12,3.62,;10.79,4.39,;9.46,3.62,;9.46,2.08,;8.13,4.4,;6.79,3.63,;5.46,4.4,;4.67,3.07,;6,2.3,;5.46,1.32,;4.14,2.09,;4.14,3.63,;6.79,2.09,;8.13,1.32,;8.12,-.22,;6.77,-.99,;6.77,-2.53,;8.12,-3.3,;9.46,-2.53,;9.45,-.99,;13.45,4.38,)|
Show InChI InChI=1S/C21H23F3N4O/c22-21(23,24)16-4-1-5-17(12-16)26-20(29)27-19-15-6-9-28(10-7-15)18(19)11-14-3-2-8-25-13-14/h1-5,8,12-13,15,18-19H,6-7,9-11H2,(H2,26,27,29)/t18-,19-/m1/s1
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91n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against [3H]methyllycaconitine binding towards Nicotinic acetylcholine receptor alpha-7 of rat brain hippocampus


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


Article DOI: 10.1016/j.bmcl.2005.02.045
BindingDB Entry DOI: 10.7270/Q2GT5NX3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50164896
PNG
((2-Phenyl-cyclopropyl)-carbamic acid (2R,3R)-2-pyr...)
Show SMILES O=C(NC1CC1c1ccccc1)O[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1 |wU:13.14,20.24,(10.83,1.02,;10.83,2.56,;12.16,3.33,;13.49,2.56,;14.26,1.23,;15.03,2.56,;16.36,3.33,;16.36,4.85,;17.69,5.64,;19.02,4.85,;19.02,3.31,;17.69,2.54,;9.5,3.34,;8.17,2.57,;6.84,3.35,;6.05,2.02,;7.38,1.25,;6.84,.27,;5.51,1.03,;5.51,2.57,;8.17,1.03,;9.5,.26,;9.5,-1.28,;8.15,-2.04,;8.15,-3.58,;9.5,-4.35,;10.83,-3.58,;10.83,-2.04,)|
Show InChI InChI=1S/C23H27N3O2/c27-23(25-20-14-19(20)17-6-2-1-3-7-17)28-22-18-8-11-26(12-9-18)21(22)13-16-5-4-10-24-15-16/h1-7,10,15,18-22H,8-9,11-14H2,(H,25,27)/t19?,20?,21-,22-/m1/s1
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103n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against [3H]methyllycaconitine binding towards Nicotinic acetylcholine receptor alpha-7 of rat brain hippocampus


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


Article DOI: 10.1016/j.bmcl.2005.02.045
BindingDB Entry DOI: 10.7270/Q2GT5NX3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50164945
PNG
(1-(2-Phenyl-cyclopropyl)-3-((2R,3R)-2-pyridin-3-yl...)
Show SMILES O=C(NC1CC1c1ccccc1)N[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1 |wU:13.14,20.24,(8.41,-.89,;8.41,.65,;9.74,1.42,;11.07,.65,;11.83,-.68,;12.61,.65,;13.94,1.42,;13.94,2.94,;15.27,3.71,;16.6,2.93,;16.6,1.39,;15.27,.63,;7.08,1.42,;5.74,.65,;4.41,1.44,;3.62,.11,;4.95,-.66,;4.41,-1.64,;3.09,-.89,;3.09,.65,;5.74,-.89,;7.08,-1.66,;7.07,-3.2,;5.72,-3.95,;5.72,-5.49,;7.07,-6.26,;8.41,-5.49,;8.4,-3.95,)|
Show InChI InChI=1S/C23H28N4O/c28-23(25-20-14-19(20)17-6-2-1-3-7-17)26-22-18-8-11-27(12-9-18)21(22)13-16-5-4-10-24-15-16/h1-7,10,15,18-22H,8-9,11-14H2,(H2,25,26,28)/t19?,20?,21-,22-/m1/s1
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104n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against [3H]methyllycaconitine binding towards Nicotinic acetylcholine receptor alpha-7 of rat brain hippocampus


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


Article DOI: 10.1016/j.bmcl.2005.02.045
BindingDB Entry DOI: 10.7270/Q2GT5NX3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50164942
PNG
(CHEMBL193996 | Phenyl-carbamic acid 1-aza-bicyclo[...)
Show SMILES O=C(Nc1ccccc1)OC1CN2CCC1CC2 |(7.26,-.24,;7.26,1.3,;8.61,2.07,;9.94,1.28,;11.27,2.05,;12.6,1.28,;12.6,-.26,;11.25,-1.03,;9.92,-.26,;5.93,2.07,;4.6,1.3,;4.6,-.24,;3.27,-1,;1.94,-.24,;1.94,1.3,;3.27,2.08,;2.5,.75,;3.83,-.02,)|
Show InChI InChI=1S/C14H18N2O2/c17-14(15-12-4-2-1-3-5-12)18-13-10-16-8-6-11(13)7-9-16/h1-5,11,13H,6-10H2,(H,15,17)
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120n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against [3H]methyllycaconitine binding towards Nicotinic acetylcholine receptor alpha-7 of rat brain hippocampus


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


Article DOI: 10.1016/j.bmcl.2005.02.045
BindingDB Entry DOI: 10.7270/Q2GT5NX3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50164947
PNG
(4-Dimethylamino-N-((2R,3R)-2-pyridin-3-ylmethyl-1-...)
Show SMILES CN(C)c1ccc(cc1)C(=O)N[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1 |wU:12.12,19.22,(15.92,4.06,;14.57,4.83,;14.59,6.38,;13.24,4.06,;13.24,2.52,;11.9,1.75,;10.57,2.53,;10.57,4.06,;11.9,4.83,;9.24,1.75,;9.24,.21,;7.9,2.54,;6.55,1.77,;5.22,2.54,;4.45,1.21,;5.78,.44,;5.22,-.55,;3.9,.23,;3.9,1.77,;6.55,.23,;7.9,-.55,;7.89,-2.09,;6.55,-2.86,;6.55,-4.4,;7.89,-5.18,;9.24,-4.4,;9.22,-2.86,)|
Show InChI InChI=1S/C22H28N4O/c1-25(2)19-7-5-18(6-8-19)22(27)24-21-17-9-12-26(13-10-17)20(21)14-16-4-3-11-23-15-16/h3-8,11,15,17,20-21H,9-10,12-14H2,1-2H3,(H,24,27)/t20-,21-/m1/s1
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134n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against [3H]methyllycaconitine binding towards Nicotinic acetylcholine receptor alpha-7 of rat brain hippocampus


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


Article DOI: 10.1016/j.bmcl.2005.02.045
BindingDB Entry DOI: 10.7270/Q2GT5NX3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50164918
PNG
((4-Bromo-phenyl)-carbamic acid (2R,3R)-2-(5-methox...)
Show SMILES COc1cncc(C[C@@H]2[C@H](OC(=O)Nc3ccc(Br)cc3)C3CCN2CC3)c1 |wU:9.9,8.7,(11.48,-5.65,;11.46,-4.11,;10.13,-3.36,;8.8,-4.13,;7.47,-3.36,;7.47,-1.82,;8.8,-1.06,;8.8,.48,;7.47,1.25,;7.47,2.79,;8.8,3.56,;10.13,2.79,;10.13,1.25,;11.48,3.56,;12.81,2.78,;12.79,1.24,;14.12,.47,;15.47,1.23,;16.81,.46,;15.47,2.78,;14.14,3.55,;6.14,3.57,;4.81,2.79,;4.81,1.25,;6.14,.49,;6.7,1.47,;5.37,2.24,;10.13,-1.82,)|
Show InChI InChI=1S/C21H24BrN3O3/c1-27-18-10-14(12-23-13-18)11-19-20(15-6-8-25(19)9-7-15)28-21(26)24-17-4-2-16(22)3-5-17/h2-5,10,12-13,15,19-20H,6-9,11H2,1H3,(H,24,26)/t19-,20-/m1/s1
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144n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against [3H]methyllycaconitine binding towards Nicotinic acetylcholine receptor alpha-7 of rat brain hippocampus


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


Article DOI: 10.1016/j.bmcl.2005.02.045
BindingDB Entry DOI: 10.7270/Q2GT5NX3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50164936
PNG
(2-[4-((2R,3R)-2-Pyridin-3-ylmethyl-1-aza-bicyclo[2...)
Show SMILES NC(=O)Cc1ccc(cc1)S(=O)(=O)N[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1 |wU:14.14,21.24,(6.54,5.42,;5.21,6.19,;5.2,7.7,;3.9,5.4,;3.91,3.87,;2.58,3.08,;2.6,1.55,;3.93,.79,;5.25,1.57,;5.24,3.1,;3.94,-.74,;5.48,-.73,;2.41,-.75,;3.94,-2.27,;2.61,-3.05,;1.26,-2.26,;-.06,-3.05,;-.06,-4.59,;1.26,-5.36,;1.82,-4.37,;.49,-3.6,;2.61,-4.59,;3.94,-5.37,;3.93,-6.92,;2.6,-7.69,;2.6,-9.23,;3.93,-10.01,;5.28,-9.23,;5.28,-7.69,)|
Show InChI InChI=1S/C21H26N4O3S/c22-20(26)13-15-3-5-18(6-4-15)29(27,28)24-21-17-7-10-25(11-8-17)19(21)12-16-2-1-9-23-14-16/h1-6,9,14,17,19,21,24H,7-8,10-13H2,(H2,22,26)/t19-,21-/m1/s1
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146n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against [3H]methyllycaconitine binding towards Nicotinic acetylcholine receptor alpha-7 of rat brain hippocampus


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


Article DOI: 10.1016/j.bmcl.2005.02.045
BindingDB Entry DOI: 10.7270/Q2GT5NX3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50164916
PNG
(1-Methyl-1H-pyrrole-2-carboxylic acid ((2R,3R)-2-p...)
Show SMILES Cn1cccc1C(=O)N[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1 |wU:9.9,16.19,(3.7,4.43,;4.96,3.55,;6.43,4.01,;7.33,2.76,;6.43,1.51,;4.96,1.99,;3.62,1.22,;3.62,-.33,;2.29,2,;.94,1.23,;-.39,2,;-1.16,.67,;.17,-.1,;-.39,-1.08,;-1.71,-.31,;-1.71,1.23,;.94,-.31,;2.29,-1.08,;2.28,-2.63,;.94,-3.4,;.94,-4.94,;2.28,-5.71,;3.62,-4.94,;3.61,-3.4,)|
Show InChI InChI=1S/C19H24N4O/c1-22-9-3-5-16(22)19(24)21-18-15-6-10-23(11-7-15)17(18)12-14-4-2-8-20-13-14/h2-5,8-9,13,15,17-18H,6-7,10-12H2,1H3,(H,21,24)/t17-,18-/m1/s1
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155n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against [3H]methyllycaconitine binding towards Nicotinic acetylcholine receptor alpha-7 of rat brain hippocampus


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


Article DOI: 10.1016/j.bmcl.2005.02.045
BindingDB Entry DOI: 10.7270/Q2GT5NX3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50164905
PNG
(1-(3-Cyano-phenyl)-3-((2R,3R)-2-pyridin-3-ylmethyl...)
Show SMILES O=C(N[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1)Nc1cccc(c1)C#N |wU:3.2,10.12,(9.46,2.08,;9.46,3.62,;8.13,4.4,;6.79,3.63,;5.46,4.4,;4.14,3.63,;4.14,2.09,;5.46,1.32,;6,2.3,;4.67,3.07,;6.79,2.09,;8.13,1.32,;8.12,-.22,;6.77,-.99,;6.77,-2.53,;8.12,-3.3,;9.46,-2.53,;9.45,-.99,;10.79,4.39,;12.12,3.62,;12.12,2.07,;13.45,1.3,;14.78,2.07,;14.78,3.61,;13.45,4.38,;16.12,4.38,;17.45,5.15,)|
Show InChI InChI=1S/C21H23N5O/c22-13-15-3-1-5-18(11-15)24-21(27)25-20-17-6-9-26(10-7-17)19(20)12-16-4-2-8-23-14-16/h1-5,8,11,14,17,19-20H,6-7,9-10,12H2,(H2,24,25,27)/t19-,20-/m1/s1
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170n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against [3H]methyllycaconitine binding towards Nicotinic acetylcholine receptor alpha-7 of rat brain hippocampus


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


Article DOI: 10.1016/j.bmcl.2005.02.045
BindingDB Entry DOI: 10.7270/Q2GT5NX3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50164961
PNG
((4-Bromo-phenyl)-carbamic acid (2R,3R)-2-furan-2-y...)
Show SMILES Brc1ccc(NC(=O)O[C@@H]2C3CCN(CC3)[C@@H]2Cc2ccco2)cc1 |wU:9.8,16.18,(17.55,-2.27,;16.22,-1.5,;14.87,-2.27,;13.54,-1.5,;13.56,.04,;12.23,.82,;10.88,.05,;10.88,-1.49,;9.55,.83,;8.22,.06,;6.89,.83,;6.11,-.5,;7.44,-1.27,;6.89,-2.25,;5.56,-1.48,;5.56,.06,;8.22,-1.48,;9.55,-2.25,;9.55,-3.79,;10.8,-4.69,;10.32,-6.14,;8.78,-6.14,;8.31,-4.69,;14.89,.81,;16.22,.04,)|
Show InChI InChI=1S/C19H21BrN2O3/c20-14-3-5-15(6-4-14)21-19(23)25-18-13-7-9-22(10-8-13)17(18)12-16-2-1-11-24-16/h1-6,11,13,17-18H,7-10,12H2,(H,21,23)/t17-,18-/m1/s1
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234n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against [3H]methyllycaconitine binding towards Nicotinic acetylcholine receptor alpha-7 of rat brain hippocampus


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


Article DOI: 10.1016/j.bmcl.2005.02.045
BindingDB Entry DOI: 10.7270/Q2GT5NX3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50164917
PNG
((4-Bromo-phenyl)-carbamic acid (2R,3R)-2-(4-fluoro...)
Show SMILES Fc1ccc(C[C@@H]2[C@H](OC(=O)Nc3ccc(Br)cc3)C3CCN2CC3)cc1 |wU:7.7,6.5,(8.84,-5.26,;8.85,-3.72,;10.18,-2.95,;10.18,-1.41,;8.85,-.65,;8.85,.89,;7.52,1.66,;7.52,3.2,;8.85,3.97,;10.18,3.19,;10.18,1.65,;11.53,3.96,;12.86,3.19,;14.19,3.96,;15.52,3.19,;15.52,1.63,;16.85,.86,;14.17,.88,;12.84,1.65,;6.19,3.98,;4.86,3.2,;4.86,1.66,;6.19,.9,;6.74,1.88,;5.41,2.65,;7.51,-1.41,;7.52,-2.95,)|
Show InChI InChI=1S/C21H22BrFN2O2/c22-16-3-7-18(8-4-16)24-21(26)27-20-15-9-11-25(12-10-15)19(20)13-14-1-5-17(23)6-2-14/h1-8,15,19-20H,9-13H2,(H,24,26)/t19-,20-/m1/s1
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263n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against [3H]methyllycaconitine binding towards Nicotinic acetylcholine receptor alpha-7 of rat brain hippocampus


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


Article DOI: 10.1016/j.bmcl.2005.02.045
BindingDB Entry DOI: 10.7270/Q2GT5NX3
More data for this
Ligand-Target Pair
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