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Compile Data Set for Download or QSAR

Found 326 hits with Last Name = 'schrimpf' and Initial = 'mr'   
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


(Rattus norvegicus (Rat))
BDBM50364856
PNG
(CHEMBL1950167)
Show SMILES O=S1(=O)c2ccccc2-c2ccc(cc12)N1CCN2CCC1CC2 |(9.73,-11.78,;8.95,-13.11,;8.19,-11.77,;7.7,-14.01,;6.2,-13.68,;5.16,-14.83,;5.64,-16.29,;7.13,-16.62,;8.17,-15.48,;9.71,-15.48,;10.72,-16.64,;12.24,-16.34,;12.73,-14.89,;11.72,-13.72,;10.21,-14.03,;14.25,-14.59,;15.21,-15.86,;16.72,-15.87,;17.72,-14.73,;17.48,-13.28,;16.07,-12.5,;14.65,-13.09,;15.41,-14.42,;16.75,-13.64,)|
Show InChI InChI=1S/C19H20N2O2S/c22-24(23)18-4-2-1-3-16(18)17-6-5-15(13-19(17)24)21-12-11-20-9-7-14(21)8-10-20/h1-6,13-14H,7-12H2
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0.0230n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]methyllylcaconitine from alpha7 nAChR in rat brain


Bioorg Med Chem Lett 22: 1633-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.126
BindingDB Entry DOI: 10.7270/Q2D21Z2W
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50049757
PNG
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2 |TLB:4:7:11.10:13|
Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2
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0.0470n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]cytisine from alpha4beta2 nAChR in rat brain membrane


Bioorg Med Chem Lett 19: 1682-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.099
BindingDB Entry DOI: 10.7270/Q2HD7VJK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50062641
PNG
(5-((R)-1-Azetidin-2-ylmethoxy)-2-chloro-pyridine |...)
Show SMILES Clc1ccc(OC[C@H]2CCN2)cn1 |r|
Show InChI InChI=1S/C9H11ClN2O/c10-9-2-1-8(5-12-9)13-6-7-3-4-11-7/h1-2,5,7,11H,3-4,6H2/t7-/m1/s1
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0.0480n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]cytisine from alpha4beta2 nAChR in rat brain membrane


Bioorg Med Chem Lett 19: 1682-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.099
BindingDB Entry DOI: 10.7270/Q2HD7VJK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50319933
PNG
((1S,4S)-2,2-dimethyl-5-(6-phenylpyridazin-3-yl)-5-...)
Show SMILES C[N+]1(C)C[C@@H]2C[C@H]1CN2c1ccc(nn1)-c1ccccc1 |r|
Show InChI InChI=1S/C17H21N4/c1-21(2)12-14-10-15(21)11-20(14)17-9-8-16(18-19-17)13-6-4-3-5-7-13/h3-9,14-15H,10-12H2,1-2H3/q+1/t14-,15-/m0/s1
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0.0660n/an/an/an/an/an/an/an/a



Abbott Park

Curated by ChEMBL


Assay Description
Displacement of [3H]A585539 from alpha7 nACHR in rat brain homogenate


Bioorg Med Chem Lett 20: 3636-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.105
BindingDB Entry DOI: 10.7270/Q2MC905N
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


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



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]methyllylcaconitine from alpha7 nAChR in rat brain


Bioorg Med Chem Lett 22: 1633-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.126
BindingDB Entry DOI: 10.7270/Q2D21Z2W
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50216347
PNG
((1R,4R)-2-(3-pyridinyl)-2,5-diazabicyclo[2.2.1]hep...)
Show SMILES C1NC2CC1N(C2)c1cccnc1 |TLB:7:5:0.1:3|
Show InChI InChI=1S/C10H13N3/c1-2-9(5-11-3-1)13-7-8-4-10(13)6-12-8/h1-3,5,8,10,12H,4,6-7H2
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0.150n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]cytisine from alpha4beta2 nAChR in rat brain membrane


Bioorg Med Chem Lett 19: 1682-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.099
BindingDB Entry DOI: 10.7270/Q2HD7VJK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50319964
PNG
(5-(6-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]hept...)
Show SMILES CN1C[C@@H]2C[C@H]1CN2c1ccc(cn1)-c1ccc2[nH]ccc2c1 |r|
Show InChI InChI=1S/C19H20N4/c1-22-11-17-9-16(22)12-23(17)19-5-3-15(10-21-19)13-2-4-18-14(8-13)6-7-20-18/h2-8,10,16-17,20H,9,11-12H2,1H3/t16-,17-/m0/s1
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0.200n/an/an/an/an/an/an/an/a



Abbott Park

Curated by ChEMBL


Assay Description
Displacement of [3H]A585539 from alpha7 nACHR in rat brain homogenate


Bioorg Med Chem Lett 20: 3636-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.105
BindingDB Entry DOI: 10.7270/Q2MC905N
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50319928
PNG
((1R,4R)-2-(6-chloropyridazin-3-yl)-2,5-diazabicycl...)
Show SMILES Clc1ccc(nn1)N1C[C@H]2C[C@@H]1CN2 |r|
Show InChI InChI=1S/C9H11ClN4/c10-8-1-2-9(13-12-8)14-5-6-3-7(14)4-11-6/h1-2,6-7,11H,3-5H2/t6-,7-/m1/s1
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0.200n/an/an/an/an/an/an/an/a



Abbott Park

Curated by ChEMBL


Assay Description
Displacement of [3H]cytisine from alpha4beta2 nACHR in rat brain homogenate


Bioorg Med Chem Lett 20: 3636-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.105
BindingDB Entry DOI: 10.7270/Q2MC905N
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50364879
PNG
(CHEMBL1950160)
Show SMILES O=C1c2ccccc2-c2ccc(cc12)N1CCN2CCC1CC2 |(21.84,6.38,;21.84,4.83,;20.58,3.93,;19.08,4.26,;18.04,3.11,;18.53,1.65,;20.02,1.33,;21.06,2.47,;22.59,2.47,;23.61,1.31,;25.12,1.6,;25.62,3.06,;24.61,4.22,;23.09,3.92,;27.13,3.35,;28.09,2.08,;29.6,2.07,;30.61,3.21,;30.36,4.67,;28.96,5.44,;27.53,4.85,;28.3,3.52,;29.63,4.3,)|
Show InChI InChI=1S/C20H20N2O/c23-20-18-4-2-1-3-16(18)17-6-5-15(13-19(17)20)22-12-11-21-9-7-14(22)8-10-21/h1-6,13-14H,7-12H2
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0.280n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]methyllylcaconitine from alpha7 nAChR in rat brain


Bioorg Med Chem Lett 22: 1633-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.126
BindingDB Entry DOI: 10.7270/Q2D21Z2W
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50319944
PNG
(2-methyl-5-(6-((1S,4S)-5-methyl-2,5-diazabicyclo[2...)
Show SMILES CN1C[C@@H]2C[C@H]1CN2c1ccc(nn1)-c1ccc2[nH]c(C)cc2c1 |r|
Show InChI InChI=1S/C19H21N5/c1-12-7-14-8-13(3-4-17(14)20-12)18-5-6-19(22-21-18)24-11-15-9-16(24)10-23(15)2/h3-8,15-16,20H,9-11H2,1-2H3/t15-,16-/m0/s1
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0.300n/an/an/an/an/an/an/an/a



Abbott Park

Curated by ChEMBL


Assay Description
Displacement of [3H]A585539 from alpha7 nACHR in rat brain homogenate


Bioorg Med Chem Lett 20: 3636-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.105
BindingDB Entry DOI: 10.7270/Q2MC905N
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50319963
PNG
(5-(6-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]hept...)
Show SMILES CN1C[C@@H]2C[C@H]1CN2c1ccc(cn1)-c1ccc2[nH]ncc2c1 |r|
Show InChI InChI=1S/C18H19N5/c1-22-10-16-7-15(22)11-23(16)18-5-3-13(8-19-18)12-2-4-17-14(6-12)9-20-21-17/h2-6,8-9,15-16H,7,10-11H2,1H3,(H,20,21)/t15-,16-/m0/s1
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0.300n/an/an/an/an/an/an/an/a



Abbott Park

Curated by ChEMBL


Assay Description
Displacement of [3H]A585539 from alpha7 nACHR in rat brain homogenate


Bioorg Med Chem Lett 20: 3636-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.105
BindingDB Entry DOI: 10.7270/Q2MC905N
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50364874
PNG
(CHEMBL1950155)
Show SMILES O=C1c2cc(ccc2-c2ccc(cc12)N1CC2CNCC2C1)N1CC2CNCC2C1
Show InChI InChI=1S/C25H28N4O/c30-25-23-5-19(28-11-15-7-26-8-16(15)12-28)1-3-21(23)22-4-2-20(6-24(22)25)29-13-17-9-27-10-18(17)14-29/h1-6,15-18,26-27H,7-14H2
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0.310n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]methyllylcaconitine from alpha7 nAChR in rat brain


Bioorg Med Chem Lett 22: 1633-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.126
BindingDB Entry DOI: 10.7270/Q2D21Z2W
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50319940
PNG
(5-(6-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]hept...)
Show SMILES CN1C[C@@H]2C[C@H]1CN2c1ccc(nn1)-c1ccc2[nH]ccc2c1 |r|
Show InChI InChI=1S/C18H19N5/c1-22-10-15-9-14(22)11-23(15)18-5-4-17(20-21-18)12-2-3-16-13(8-12)6-7-19-16/h2-8,14-15,19H,9-11H2,1H3/t14-,15-/m0/s1
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0.400n/an/an/an/an/an/an/an/a



Abbott Park

Curated by ChEMBL


Assay Description
Displacement of [3H]A585539 from alpha7 nACHR in rat brain homogenate


Bioorg Med Chem Lett 20: 3636-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.105
BindingDB Entry DOI: 10.7270/Q2MC905N
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50319962
PNG
((1S,4S)-2-(5-(benzo[b]thiophen-5-yl)pyridin-2-yl)-...)
Show SMILES CN1C[C@@H]2C[C@H]1CN2c1ccc(cn1)-c1ccc2sccc2c1 |r|
Show InChI InChI=1S/C19H19N3S/c1-21-11-17-9-16(21)12-22(17)19-5-3-15(10-20-19)13-2-4-18-14(8-13)6-7-23-18/h2-8,10,16-17H,9,11-12H2,1H3/t16-,17-/m0/s1
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0.550n/an/an/an/an/an/an/an/a



Abbott Park

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetidile from human ERG by whole-cell patch clamp


Bioorg Med Chem Lett 20: 3636-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.105
BindingDB Entry DOI: 10.7270/Q2MC905N
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50319955
PNG
((1S,4S)-2-(5-(benzo[b]thiophen-5-yl)pyrimidin-2-yl...)
Show SMILES CN1C[C@@H]2C[C@H]1CN2c1ncc(cn1)-c1ccc2sccc2c1 |r|
Show InChI InChI=1S/C18H18N4S/c1-21-10-16-7-15(21)11-22(16)18-19-8-14(9-20-18)12-2-3-17-13(6-12)4-5-23-17/h2-6,8-9,15-16H,7,10-11H2,1H3/t15-,16-/m0/s1
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0.560n/an/an/an/an/an/an/an/a



Abbott Park

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetidile from human ERG by whole-cell patch clamp


Bioorg Med Chem Lett 20: 3636-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.105
BindingDB Entry DOI: 10.7270/Q2MC905N
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50364869
PNG
(CHEMBL1950150)
Show SMILES O=C1c2cc(O[C@H]3CN4CCC3CC4)ccc2-c2ccc(O[C@H]3CN4CCC3CC4)cc12 |r,wD:6.5,22.24,(11.17,-6.37,;11.16,-7.92,;9.89,-8.83,;8.39,-8.51,;7.36,-9.65,;5.91,-9.1,;4.69,-9.8,;3.47,-9.08,;2.24,-9.77,;2.23,-11.2,;3.45,-11.92,;4.69,-11.22,;3.86,-10.06,;3.3,-11.36,;7.82,-11.13,;9.34,-11.46,;10.37,-10.31,;11.93,-10.32,;12.96,-11.48,;14.48,-11.15,;14.96,-9.67,;16.37,-9.47,;17.24,-10.58,;16.71,-11.89,;17.59,-13,;18.99,-12.8,;19.52,-11.48,;18.64,-10.37,;17.63,-11.36,;18.99,-11.72,;13.93,-8.53,;12.42,-8.83,)|
Show InChI InChI=1S/C27H30N2O3/c30-27-23-13-19(31-25-15-28-9-5-17(25)6-10-28)1-3-21(23)22-4-2-20(14-24(22)27)32-26-16-29-11-7-18(26)8-12-29/h1-4,13-14,17-18,25-26H,5-12,15-16H2/t25-,26-/m0/s1
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0.580n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]methyllylcaconitine from alpha7 nAChR in rat brain


Bioorg Med Chem Lett 22: 1633-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.126
BindingDB Entry DOI: 10.7270/Q2D21Z2W
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50364889
PNG
(CHEMBL1950172)
Show SMILES CN1CC2CN(CC2C1)c1ccc2-c3ccc(N)cc3C(=O)c2c1
Show InChI InChI=1S/C20H21N3O/c1-22-8-12-10-23(11-13(12)9-22)15-3-5-17-16-4-2-14(21)6-18(16)20(24)19(17)7-15/h2-7,12-13H,8-11,21H2,1H3
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0.650n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]methyllylcaconitine from alpha7 nAChR in rat brain


Bioorg Med Chem Lett 22: 1633-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.126
BindingDB Entry DOI: 10.7270/Q2D21Z2W
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50319939
PNG
(5-(6-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]hept...)
Show SMILES CN1C[C@@H]2C[C@H]1CN2c1ccc(nn1)-c1ccc2[nH]ncc2c1 |r|
Show InChI InChI=1S/C17H18N6/c1-22-9-14-7-13(22)10-23(14)17-5-4-15(20-21-17)11-2-3-16-12(6-11)8-18-19-16/h2-6,8,13-14H,7,9-10H2,1H3,(H,18,19)/t13-,14-/m0/s1
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0.900n/an/an/an/an/an/an/an/a



Abbott Park

Curated by ChEMBL


Assay Description
Displacement of [3H]A585539 from alpha7 nACHR in rat brain homogenate


Bioorg Med Chem Lett 20: 3636-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.105
BindingDB Entry DOI: 10.7270/Q2MC905N
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM82070
PNG
(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)
Show SMILES CN1CCC[C@H]1c1cccnc1 |r|
Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1
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0.940n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]cytisine from alpha4beta2 nAChR in rat brain membrane


Bioorg Med Chem Lett 19: 1682-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.099
BindingDB Entry DOI: 10.7270/Q2HD7VJK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50319949
PNG
(5-(5-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]hept...)
Show SMILES CN1C[C@@H]2C[C@H]1CN2c1cnc(cn1)-c1ccc2[nH]ccc2c1 |r|
Show InChI InChI=1S/C18H19N5/c1-22-10-15-7-14(22)11-23(15)18-9-20-17(8-21-18)12-2-3-16-13(6-12)4-5-19-16/h2-6,8-9,14-15,19H,7,10-11H2,1H3/t14-,15-/m0/s1
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1n/an/an/an/an/an/an/an/a



Abbott Park

Curated by ChEMBL


Assay Description
Displacement of [3H]A585539 from alpha7 nACHR in rat brain homogenate


Bioorg Med Chem Lett 20: 3636-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.105
BindingDB Entry DOI: 10.7270/Q2MC905N
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50319957
PNG
(5-(2-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]hept...)
Show SMILES CN1C[C@@H]2C[C@H]1CN2c1ncc(cn1)-c1ccc2[nH]ccc2c1 |r|
Show InChI InChI=1S/C18H19N5/c1-22-10-16-7-15(22)11-23(16)18-20-8-14(9-21-18)12-2-3-17-13(6-12)4-5-19-17/h2-6,8-9,15-16,19H,7,10-11H2,1H3/t15-,16-/m0/s1
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1.10n/an/an/an/an/an/an/an/a



Abbott Park

Curated by ChEMBL


Assay Description
Displacement of [3H]A585539 from alpha7 nACHR in rat brain homogenate


Bioorg Med Chem Lett 20: 3636-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.105
BindingDB Entry DOI: 10.7270/Q2MC905N
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50364873
PNG
(CHEMBL1950154)
Show SMILES CN1CC2CN(CC2C1)c1ccc2-c3ccc(cc3C(=O)c2c1)N1CC2CN(C)CC2C1
Show InChI InChI=1S/C27H32N4O/c1-28-9-17-13-30(14-18(17)10-28)21-3-5-23-24-6-4-22(8-26(24)27(32)25(23)7-21)31-15-19-11-29(2)12-20(19)16-31/h3-8,17-20H,9-16H2,1-2H3
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1.20n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]methyllylcaconitine from alpha7 nAChR in rat brain


Bioorg Med Chem Lett 22: 1633-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.126
BindingDB Entry DOI: 10.7270/Q2D21Z2W
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50257890
PNG
(3-(pyridin-3-yl)-3,6-diazabicyclo[3.2.0]heptane | ...)
Show SMILES C1NC2CN(CC12)c1cccnc1
Show InChI InChI=1S/C10H13N3/c1-2-9(5-11-3-1)13-6-8-4-12-10(8)7-13/h1-3,5,8,10,12H,4,6-7H2
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1.20n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]cytisine from alpha4beta2 nAChR in rat brain membrane


Bioorg Med Chem Lett 19: 1682-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.099
BindingDB Entry DOI: 10.7270/Q2HD7VJK
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50319947
PNG
((1S,4S)-2-(5-(benzo[b]thiophen-5-yl)pyrazin-2-yl)-...)
Show SMILES CN1C[C@@H]2C[C@H]1CN2c1cnc(cn1)-c1ccc2sccc2c1 |r|
Show InChI InChI=1S/C18H18N4S/c1-21-10-15-7-14(21)11-22(15)18-9-19-16(8-20-18)12-2-3-17-13(6-12)4-5-23-17/h2-6,8-9,14-15H,7,10-11H2,1H3/t14-,15-/m0/s1
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1.20n/an/an/an/an/an/an/an/a



Abbott Park

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetidile from human ERG by whole-cell patch clamp


Bioorg Med Chem Lett 20: 3636-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.105
BindingDB Entry DOI: 10.7270/Q2MC905N
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50319954
PNG
((1S,4S)-2-(5-(benzofuran-5-yl)pyrimidin-2-yl)-5-me...)
Show SMILES CN1C[C@@H]2C[C@H]1CN2c1ncc(cn1)-c1ccc2occc2c1 |r|
Show InChI InChI=1S/C18H18N4O/c1-21-10-16-7-15(21)11-22(16)18-19-8-14(9-20-18)12-2-3-17-13(6-12)4-5-23-17/h2-6,8-9,15-16H,7,10-11H2,1H3/t15-,16-/m0/s1
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1.30n/an/an/an/an/an/an/an/a



Abbott Park

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetidile from human ERG by whole-cell patch clamp


Bioorg Med Chem Lett 20: 3636-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.105
BindingDB Entry DOI: 10.7270/Q2MC905N
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50364870
PNG
(CHEMBL1950151)
Show SMILES O=C1c2cc(O[C@@H]3CN4CCC3CC4)ccc2-c2ccc(O[C@@H]3CN4CCC3CC4)cc12 |r,wU:6.5,22.24,(11.09,-6.31,;11.09,-7.85,;9.82,-8.77,;8.32,-8.45,;7.29,-9.58,;5.84,-9.03,;4.64,-9.76,;3.4,-9.08,;2.21,-9.81,;2.23,-11.22,;3.47,-11.9,;4.68,-11.17,;3.82,-10.05,;3.3,-11.35,;7.75,-11.05,;9.26,-11.38,;10.3,-10.24,;11.85,-10.24,;12.88,-11.4,;14.39,-11.09,;14.87,-9.61,;16.27,-9.4,;17.15,-10.51,;16.61,-11.81,;17.48,-12.91,;18.88,-12.72,;19.4,-11.41,;18.53,-10.3,;17.53,-11.28,;18.88,-11.64,;13.84,-8.46,;12.33,-8.77,)|
Show InChI InChI=1S/C27H30N2O3/c30-27-23-13-19(31-25-15-28-9-5-17(25)6-10-28)1-3-21(23)22-4-2-20(14-24(22)27)32-26-16-29-11-7-18(26)8-12-29/h1-4,13-14,17-18,25-26H,5-12,15-16H2/t25-,26-/m1/s1
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1.60n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]methyllylcaconitine from alpha7 nAChR in rat brain


Bioorg Med Chem Lett 22: 1633-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.126
BindingDB Entry DOI: 10.7270/Q2D21Z2W
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50319938
PNG
((1S,4S)-2-(6-(benzo[b]thiophen-5-yl)pyridazin-3-yl...)
Show SMILES CN1C[C@@H]2C[C@H]1CN2c1ccc(nn1)-c1ccc2sccc2c1 |r|
Show InChI InChI=1S/C18H18N4S/c1-21-10-15-9-14(21)11-22(15)18-5-3-16(19-20-18)12-2-4-17-13(8-12)6-7-23-17/h2-8,14-15H,9-11H2,1H3/t14-,15-/m0/s1
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1.80n/an/an/an/an/an/an/an/a



Abbott Park

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetidile from human ERG by whole-cell patch clamp


Bioorg Med Chem Lett 20: 3636-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.105
BindingDB Entry DOI: 10.7270/Q2MC905N
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50319958
PNG
(5-(2-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]hept...)
Show SMILES CN1C[C@@H]2C[C@H]1CN2c1ncc(cn1)-c1ccc2[nH]c(cc2c1)C(F)(F)F |r|
Show InChI InChI=1S/C19H18F3N5/c1-26-9-15-6-14(26)10-27(15)18-23-7-13(8-24-18)11-2-3-16-12(4-11)5-17(25-16)19(20,21)22/h2-5,7-8,14-15,25H,6,9-10H2,1H3/t14-,15-/m0/s1
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1.85n/an/an/an/an/an/an/an/a



Abbott Park

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetidile from human ERG by whole-cell patch clamp


Bioorg Med Chem Lett 20: 3636-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.105
BindingDB Entry DOI: 10.7270/Q2MC905N
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50319950
PNG
(5-(5-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]hept...)
Show SMILES CN1C[C@@H]2C[C@H]1CN2c1cnc(cn1)-c1ccc2[nH]c(cc2c1)C(F)(F)F |r|
Show InChI InChI=1S/C19H18F3N5/c1-26-9-14-6-13(26)10-27(14)18-8-23-16(7-24-18)11-2-3-15-12(4-11)5-17(25-15)19(20,21)22/h2-5,7-8,13-14,25H,6,9-10H2,1H3/t13-,14-/m0/s1
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1.90n/an/an/an/an/an/an/an/a



Abbott Park

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetidile from human ERG by whole-cell patch clamp


Bioorg Med Chem Lett 20: 3636-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.105
BindingDB Entry DOI: 10.7270/Q2MC905N
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50319965
PNG
(5-(6-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]hept...)
Show SMILES CN1C[C@@H]2C[C@H]1CN2c1ccc(cn1)-c1ccc2[nH]c(cc2c1)C(F)(F)F |r|
Show InChI InChI=1S/C20H19F3N4/c1-26-10-16-8-15(26)11-27(16)19-5-3-13(9-24-19)12-2-4-17-14(6-12)7-18(25-17)20(21,22)23/h2-7,9,15-16,25H,8,10-11H2,1H3/t15-,16-/m0/s1
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2n/an/an/an/an/an/an/an/a



Abbott Park

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetidile from human ERG by whole-cell patch clamp


Bioorg Med Chem Lett 20: 3636-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.105
BindingDB Entry DOI: 10.7270/Q2MC905N
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50319941
PNG
(5-(6-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]hept...)
Show SMILES CN1C[C@@H]2C[C@H]1CN2c1ccc(nn1)-c1ccc2[nH]c(cc2c1)C(F)(F)F |r|
Show InChI InChI=1S/C19H18F3N5/c1-26-9-14-8-13(26)10-27(14)18-5-4-16(24-25-18)11-2-3-15-12(6-11)7-17(23-15)19(20,21)22/h2-7,13-14,23H,8-10H2,1H3/t13-,14-/m0/s1
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2.10n/an/an/an/an/an/an/an/a



Abbott Park

Curated by ChEMBL


Assay Description
Displacement of [3H]A585539 from alpha7 nACHR in rat brain homogenate


Bioorg Med Chem Lett 20: 3636-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.105
BindingDB Entry DOI: 10.7270/Q2MC905N
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50319935
PNG
((1R,4R)-2,2-dimethyl-5-(6-phenylpyridazin-3-yl)-5-...)
Show SMILES C[N+]1(C)C[C@H]2C[C@@H]1CN2c1ccc(nn1)-c1ccccc1 |r|
Show InChI InChI=1S/C17H21N4/c1-21(2)12-14-10-15(21)11-20(14)17-9-8-16(18-19-17)13-6-4-3-5-7-13/h3-9,14-15H,10-12H2,1-2H3/q+1/t14-,15-/m1/s1
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2.20n/an/an/an/an/an/an/an/a



Abbott Park

Curated by ChEMBL


Assay Description
Displacement of [3H]A585539 from alpha7 nACHR in rat brain homogenate


Bioorg Med Chem Lett 20: 3636-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.105
BindingDB Entry DOI: 10.7270/Q2MC905N
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50319941
PNG
(5-(6-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]hept...)
Show SMILES CN1C[C@@H]2C[C@H]1CN2c1ccc(nn1)-c1ccc2[nH]c(cc2c1)C(F)(F)F |r|
Show InChI InChI=1S/C19H18F3N5/c1-26-9-14-8-13(26)10-27(14)18-5-4-16(24-25-18)11-2-3-15-12(6-11)7-17(23-15)19(20,21)22/h2-7,13-14,23H,8-10H2,1H3/t13-,14-/m0/s1
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2.20n/an/an/an/an/an/an/an/a



Abbott Park

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetidile from human ERG by whole-cell patch clamp


Bioorg Med Chem Lett 20: 3636-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.105
BindingDB Entry DOI: 10.7270/Q2MC905N
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50049757
PNG
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2 |TLB:4:7:11.10:13|
Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2
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2.70n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]585539 from alpha7 nAChR in rat brain


Bioorg Med Chem Lett 20: 104-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.023
BindingDB Entry DOI: 10.7270/Q2RF5VZQ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50319961
PNG
((1S,4S)-2-(5-(benzofuran-5-yl)pyridin-2-yl)-5-meth...)
Show SMILES CN1C[C@@H]2C[C@H]1CN2c1ccc(cn1)-c1ccc2occc2c1 |r|
Show InChI InChI=1S/C19H19N3O/c1-21-11-17-9-16(21)12-22(17)19-5-3-15(10-20-19)13-2-4-18-14(8-13)6-7-23-18/h2-8,10,16-17H,9,11-12H2,1H3/t16-,17-/m0/s1
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2.70n/an/an/an/an/an/an/an/a



Abbott Park

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetidile from human ERG by whole-cell patch clamp


Bioorg Med Chem Lett 20: 3636-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.105
BindingDB Entry DOI: 10.7270/Q2MC905N
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50319962
PNG
((1S,4S)-2-(5-(benzo[b]thiophen-5-yl)pyridin-2-yl)-...)
Show SMILES CN1C[C@@H]2C[C@H]1CN2c1ccc(cn1)-c1ccc2sccc2c1 |r|
Show InChI InChI=1S/C19H19N3S/c1-21-11-17-9-16(21)12-22(17)19-5-3-15(10-20-19)13-2-4-18-14(8-13)6-7-23-18/h2-8,10,16-17H,9,11-12H2,1H3/t16-,17-/m0/s1
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2.90n/an/an/an/an/an/an/an/a



Abbott Park

Curated by ChEMBL


Assay Description
Displacement of [3H]A585539 from alpha7 nACHR in rat brain homogenate


Bioorg Med Chem Lett 20: 3636-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.105
BindingDB Entry DOI: 10.7270/Q2MC905N
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50319967
PNG
(6-(6-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]hept...)
Show SMILES CN1C[C@@H]2C[C@H]1CN2c1ccc(cn1)-c1ccc2cc[nH]c2c1 |r|
Show InChI InChI=1S/C19H20N4/c1-22-11-17-9-16(22)12-23(17)19-5-4-15(10-21-19)14-3-2-13-6-7-20-18(13)8-14/h2-8,10,16-17,20H,9,11-12H2,1H3/t16-,17-/m0/s1
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2.90n/an/an/an/an/an/an/an/a



Abbott Park

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetidile from human ERG by whole-cell patch clamp


Bioorg Med Chem Lett 20: 3636-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.105
BindingDB Entry DOI: 10.7270/Q2MC905N
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50319965
PNG
(5-(6-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]hept...)
Show SMILES CN1C[C@@H]2C[C@H]1CN2c1ccc(cn1)-c1ccc2[nH]c(cc2c1)C(F)(F)F |r|
Show InChI InChI=1S/C20H19F3N4/c1-26-10-16-8-15(26)11-27(16)19-5-3-13(9-24-19)12-2-4-17-14(6-12)7-18(25-17)20(21,22)23/h2-7,9,15-16,25H,8,10-11H2,1H3/t15-,16-/m0/s1
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3n/an/an/an/an/an/an/an/a



Abbott Park

Curated by ChEMBL


Assay Description
Displacement of [3H]A585539 from alpha7 nACHR in rat brain homogenate


Bioorg Med Chem Lett 20: 3636-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.105
BindingDB Entry DOI: 10.7270/Q2MC905N
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50319960
PNG
((1S,4S)-2-methyl-5-(5-phenylpyridin-2-yl)-2,5-diaz...)
Show SMILES CN1C[C@@H]2C[C@H]1CN2c1ccc(cn1)-c1ccccc1 |r|
Show InChI InChI=1S/C17H19N3/c1-19-11-16-9-15(19)12-20(16)17-8-7-14(10-18-17)13-5-3-2-4-6-13/h2-8,10,15-16H,9,11-12H2,1H3/t15-,16-/m0/s1
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3.10n/an/an/an/an/an/an/an/a



Abbott Park

Curated by ChEMBL


Assay Description
Displacement of [3H]A585539 from alpha7 nACHR in rat brain homogenate


Bioorg Med Chem Lett 20: 3636-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.105
BindingDB Entry DOI: 10.7270/Q2MC905N
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50319938
PNG
((1S,4S)-2-(6-(benzo[b]thiophen-5-yl)pyridazin-3-yl...)
Show SMILES CN1C[C@@H]2C[C@H]1CN2c1ccc(nn1)-c1ccc2sccc2c1 |r|
Show InChI InChI=1S/C18H18N4S/c1-21-10-15-9-14(21)11-22(15)18-5-3-16(19-20-18)12-2-4-17-13(8-12)6-7-23-17/h2-8,14-15H,9-11H2,1H3/t14-,15-/m0/s1
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3.10n/an/an/an/an/an/an/an/a



Abbott Park

Curated by ChEMBL


Assay Description
Displacement of [3H]A585539 from alpha7 nACHR in rat brain homogenate


Bioorg Med Chem Lett 20: 3636-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.105
BindingDB Entry DOI: 10.7270/Q2MC905N
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50364877
PNG
(CHEMBL1950158)
Show SMILES O=C1c2ccccc2-c2ccc(O[C@H]3CN4CCC3CC4)cc12 |r,wD:13.13,(-6.3,5.83,;-6.31,4.29,;-7.56,3.39,;-9.06,3.71,;-10.1,2.57,;-9.61,1.11,;-8.12,.78,;-7.08,1.92,;-5.55,1.92,;-4.54,.76,;-3.02,1.06,;-2.53,2.51,;-1.02,2.81,;-0,1.65,;-.51,.19,;.5,-.97,;2.01,-.68,;2.52,.78,;1.5,1.95,;.41,.86,;1.74,.09,;-3.54,3.67,;-5.05,3.37,)|
Show InChI InChI=1S/C20H19NO2/c22-20-17-4-2-1-3-15(17)16-6-5-14(11-18(16)20)23-19-12-21-9-7-13(19)8-10-21/h1-6,11,13,19H,7-10,12H2/t19-/m0/s1
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3.20n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]methyllylcaconitine from alpha7 nAChR in rat brain


Bioorg Med Chem Lett 22: 1633-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.126
BindingDB Entry DOI: 10.7270/Q2D21Z2W
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50305362
PNG
((3aR,6aS)-2-(6-phenylpyridazin-3-yl)-5-(pyridin-3-...)
Show SMILES C(N1C[C@H]2CN(C[C@H]2C1)c1ccc(nn1)-c1ccccc1)c1cccnc1 |r|
Show InChI InChI=1S/C22H23N5/c1-2-6-18(7-3-1)21-8-9-22(25-24-21)27-15-19-13-26(14-20(19)16-27)12-17-5-4-10-23-11-17/h1-11,19-20H,12-16H2/t19-,20+
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3.60n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]585539 from alpha7 nAChR in rat brain


Bioorg Med Chem Lett 20: 104-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.023
BindingDB Entry DOI: 10.7270/Q2RF5VZQ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50364884
PNG
(CHEMBL1950165)
Show SMILES O=S1(=O)c2ccccc2-c2ccc(O[C@H]3CN4CCC3CC4)cc12 |r,wD:14.14,(46.6,-11.14,;45.82,-12.47,;45.06,-11.13,;44.57,-13.37,;43.07,-13.04,;42.03,-14.19,;42.51,-15.65,;44.01,-15.98,;45.04,-14.84,;46.58,-14.84,;47.59,-16,;49.11,-15.7,;49.6,-14.25,;51.11,-13.95,;52.13,-15.11,;51.62,-16.57,;52.63,-17.73,;54.15,-17.44,;54.65,-15.98,;53.64,-14.81,;52.54,-15.89,;53.87,-16.67,;48.59,-13.08,;47.08,-13.39,)|
Show InChI InChI=1S/C19H19NO3S/c21-24(22)18-4-2-1-3-15(18)16-6-5-14(11-19(16)24)23-17-12-20-9-7-13(17)8-10-20/h1-6,11,13,17H,7-10,12H2/t17-/m0/s1
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3.90n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]methyllylcaconitine from alpha7 nAChR in rat brain


Bioorg Med Chem Lett 22: 1633-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.126
BindingDB Entry DOI: 10.7270/Q2D21Z2W
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50364857
PNG
(CHEMBL1950171)
Show SMILES CN1CC2CN(CC2C1)c1ccc2oc3ccccc3c(=O)c2c1
Show InChI InChI=1S/C20H20N2O2/c1-21-9-13-11-22(12-14(13)10-21)15-6-7-19-17(8-15)20(23)16-4-2-3-5-18(16)24-19/h2-8,13-14H,9-12H2,1H3
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4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]methyllylcaconitine from alpha7 nAChR in rat brain


Bioorg Med Chem Lett 22: 1633-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.126
BindingDB Entry DOI: 10.7270/Q2D21Z2W
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50319957
PNG
(5-(2-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]hept...)
Show SMILES CN1C[C@@H]2C[C@H]1CN2c1ncc(cn1)-c1ccc2[nH]ccc2c1 |r|
Show InChI InChI=1S/C18H19N5/c1-22-10-16-7-15(22)11-23(16)18-20-8-14(9-21-18)12-2-3-17-13(6-12)4-5-19-17/h2-6,8-9,15-16,19H,7,10-11H2,1H3/t15-,16-/m0/s1
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4.30n/an/an/an/an/an/an/an/a



Abbott Park

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetidile from human ERG by whole-cell patch clamp


Bioorg Med Chem Lett 20: 3636-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.105
BindingDB Entry DOI: 10.7270/Q2MC905N
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50364864
PNG
(CHEMBL1950145)
Show SMILES CN1CC[C@@H]1COc1ccc2-c3ccc(OC[C@H]4CCN4C)cc3C(=O)c2c1 |r|
Show InChI InChI=1S/C23H26N2O3/c1-24-9-7-15(24)13-27-17-3-5-19-20-6-4-18(28-14-16-8-10-25(16)2)12-22(20)23(26)21(19)11-17/h3-6,11-12,15-16H,7-10,13-14H2,1-2H3/t15-,16-/m1/s1
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4.30n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]methyllylcaconitine from alpha7 nAChR in rat brain


Bioorg Med Chem Lett 22: 1633-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.126
BindingDB Entry DOI: 10.7270/Q2D21Z2W
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50319931
PNG
((1S,4S)-5-(6-chloropyridazin-3-yl)-2,2-dimethyl-5-...)
Show SMILES C[N+]1(C)C[C@@H]2C[C@H]1CN2c1ccc(Cl)nn1 |r|
Show InChI InChI=1S/C11H16ClN4/c1-16(2)7-8-5-9(16)6-15(8)11-4-3-10(12)13-14-11/h3-4,8-9H,5-7H2,1-2H3/q+1/t8-,9-/m0/s1
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4.30n/an/an/an/an/an/an/an/a



Abbott Park

Curated by ChEMBL


Assay Description
Displacement of [3H]cytisine from alpha4beta2 nACHR in rat brain homogenate


Bioorg Med Chem Lett 20: 3636-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.105
BindingDB Entry DOI: 10.7270/Q2MC905N
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50319961
PNG
((1S,4S)-2-(5-(benzofuran-5-yl)pyridin-2-yl)-5-meth...)
Show SMILES CN1C[C@@H]2C[C@H]1CN2c1ccc(cn1)-c1ccc2occc2c1 |r|
Show InChI InChI=1S/C19H19N3O/c1-21-11-17-9-16(21)12-22(17)19-5-3-15(10-20-19)13-2-4-18-14(8-13)6-7-23-18/h2-8,10,16-17H,9,11-12H2,1H3/t16-,17-/m0/s1
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4.40n/an/an/an/an/an/an/an/a



Abbott Park

Curated by ChEMBL


Assay Description
Displacement of [3H]A585539 from alpha7 nACHR in rat brain homogenate


Bioorg Med Chem Lett 20: 3636-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.105
BindingDB Entry DOI: 10.7270/Q2MC905N
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50319946
PNG
((1S,4S)-2-(5-(benzofuran-5-yl)pyrazin-2-yl)-5-meth...)
Show SMILES CN1C[C@@H]2C[C@H]1CN2c1cnc(cn1)-c1ccc2occc2c1 |r|
Show InChI InChI=1S/C18H18N4O/c1-21-10-15-7-14(21)11-22(15)18-9-19-16(8-20-18)12-2-3-17-13(6-12)4-5-23-17/h2-6,8-9,14-15H,7,10-11H2,1H3/t14-,15-/m0/s1
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5.30n/an/an/an/an/an/an/an/a



Abbott Park

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetidile from human ERG by whole-cell patch clamp


Bioorg Med Chem Lett 20: 3636-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.105
BindingDB Entry DOI: 10.7270/Q2MC905N
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50319967
PNG
(6-(6-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]hept...)
Show SMILES CN1C[C@@H]2C[C@H]1CN2c1ccc(cn1)-c1ccc2cc[nH]c2c1 |r|
Show InChI InChI=1S/C19H20N4/c1-22-11-17-9-16(22)12-23(17)19-5-4-15(10-21-19)14-3-2-13-6-7-20-18(13)8-14/h2-8,10,16-17,20H,9,11-12H2,1H3/t16-,17-/m0/s1
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5.40n/an/an/an/an/an/an/an/a



Abbott Park

Curated by ChEMBL


Assay Description
Displacement of [3H]A585539 from alpha7 nACHR in rat brain homogenate


Bioorg Med Chem Lett 20: 3636-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.105
BindingDB Entry DOI: 10.7270/Q2MC905N
More data for this
Ligand-Target Pair
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