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Compile Data Set for Download or QSAR

Found 761 hits with Last Name = 'gopalakrishnan' and Initial = 'm'   
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
n-AChR


(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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0.0400n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




Neuropharmacology 35: 725-34 (1996)


Article DOI: 10.1016/0028-3908(96)84644-2
BindingDB Entry DOI: 10.7270/Q237777N
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (Human))
BDBM50049750
PNG
((S)-3-(azetidin-2-ylmethoxy)pyridine | 3-((S)-1-Az...)
Show SMILES C(Oc1cccnc1)[C@@H]1CCN1 |r|
Show InChI InChI=1S/C9H12N2O/c1-2-9(6-10-4-1)12-7-8-3-5-11-8/h1-2,4,6,8,11H,3,5,7H2/t8-/m0/s1
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0.0400n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




Neuropharmacology 35: 725-34 (1996)


Article DOI: 10.1016/0028-3908(96)84644-2
BindingDB Entry DOI: 10.7270/Q237777N
More data for this
Ligand-Target Pair
n-AChR


(RAT)
BDBM50049750
PNG
((S)-3-(azetidin-2-ylmethoxy)pyridine | 3-((S)-1-Az...)
Show SMILES C(Oc1cccnc1)[C@@H]1CCN1 |r|
Show InChI InChI=1S/C9H12N2O/c1-2-9(6-10-4-1)12-7-8-3-5-11-8/h1-2,4,6,8,11H,3,5,7H2/t8-/m0/s1
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0.0500n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




Neuropharmacology 35: 725-34 (1996)


Article DOI: 10.1016/0028-3908(96)84644-2
BindingDB Entry DOI: 10.7270/Q237777N
More data for this
Ligand-Target Pair
n-AChR


(RAT)
BDBM50049750
PNG
((S)-3-(azetidin-2-ylmethoxy)pyridine | 3-((S)-1-Az...)
Show SMILES C(Oc1cccnc1)[C@@H]1CCN1 |r|
Show InChI InChI=1S/C9H12N2O/c1-2-9(6-10-4-1)12-7-8-3-5-11-8/h1-2,4,6,8,11H,3,5,7H2/t8-/m0/s1
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0.0500n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




Neuropharmacology 35: 725-34 (1996)


Article DOI: 10.1016/0028-3908(96)84644-2
BindingDB Entry DOI: 10.7270/Q237777N
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (Human))
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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0.0500n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




Neuropharmacology 35: 725-34 (1996)


Article DOI: 10.1016/0028-3908(96)84644-2
BindingDB Entry DOI: 10.7270/Q237777N
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (Human))
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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0.0600n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




Neuropharmacology 35: 725-34 (1996)


Article DOI: 10.1016/0028-3908(96)84644-2
BindingDB Entry DOI: 10.7270/Q237777N
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 subunit alpha-4


(Homo sapiens (Human))
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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0.0700n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 276: 289-97 (1996)


BindingDB Entry DOI: 10.7270/Q2GM85T1
More data for this
Ligand-Target Pair
n-AChR


(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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0.0700n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




Neuropharmacology 35: 725-34 (1996)


Article DOI: 10.1016/0028-3908(96)84644-2
BindingDB Entry DOI: 10.7270/Q237777N
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 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))
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
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM27210
PNG
((2R)-N,3-dimethyl-2-(methylamino)-N-[(1R,2S,5S,6S,...)
Show SMILES [H][C@@]1(C)N(C)C[C@]23CC[C@@]4([H])[C@@]([H])(CC=C5C[C@H](CC[C@]45C)N(C)C(=O)[C@H](NC)C(C)C)[C@]2([H])CC[C@]13[H] |r,t:14|
Show InChI InChI=1S/C29H49N3O/c1-18(2)26(30-5)27(33)32(7)21-12-14-28(4)20(16-21)8-9-22-24(28)13-15-29-17-31(6)19(3)23(29)10-11-25(22)29/h8,18-19,21-26,30H,9-17H2,1-7H3/t19-,21-,22+,23+,24-,25-,26+,28-,29-/m0/s1
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0.210 -55.2n/an/an/an/an/a7.425



Abbott Laboratories



Assay Description
Competition radioligand binding assays were performed with increasing concentrations of test compound in the presence of [3H]ligand. All binding reac...


J Med Chem 51: 5423-30 (2008)


Article DOI: 10.1021/jm8003625
BindingDB Entry DOI: 10.7270/Q21G0JK0
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM27208
PNG
((2S,3S)-2-amino-N,3-dimethyl-N-[(1R,2S,5S,6S,9R,12...)
Show SMILES [H][C@@]1(C)N(C)C[C@]23CC[C@@]4([H])[C@@]([H])(CC=C5C[C@H](CC[C@]45C)N(C)C(=O)[C@@H](N)[C@@H](C)CC)[C@]2([H])CC[C@]13[H] |r,t:14|
Show InChI InChI=1S/C29H49N3O/c1-7-18(2)26(30)27(33)32(6)21-12-14-28(4)20(16-21)8-9-22-24(28)13-15-29-17-31(5)19(3)23(29)10-11-25(22)29/h8,18-19,21-26H,7,9-17,30H2,1-6H3/t18-,19-,21-,22+,23+,24-,25-,26-,28-,29-/m0/s1
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0.220 -55.1n/an/an/an/an/a7.425



Abbott Laboratories



Assay Description
Competition radioligand binding assays were performed with increasing concentrations of test compound in the presence of [3H]ligand. All binding reac...


J Med Chem 51: 5423-30 (2008)


Article DOI: 10.1021/jm8003625
BindingDB Entry DOI: 10.7270/Q21G0JK0
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))
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))
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))
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
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM27209
PNG
((2R,3R)-2-amino-N,3-dimethyl-N-[(1R,2S,5S,6S,9R,12...)
Show SMILES [H][C@@]1(C)N(C)C[C@]23CC[C@@]4([H])[C@@]([H])(CC=C5C[C@H](CC[C@]45C)N(C)C(=O)[C@H](N)[C@H](C)CC)[C@]2([H])CC[C@]13[H] |r,t:14|
Show InChI InChI=1S/C29H49N3O/c1-7-18(2)26(30)27(33)32(6)21-12-14-28(4)20(16-21)8-9-22-24(28)13-15-29-17-31(5)19(3)23(29)10-11-25(22)29/h8,18-19,21-26H,7,9-17,30H2,1-6H3/t18-,19+,21+,22-,23-,24+,25+,26-,28+,29+/m1/s1
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0.370 -53.8n/an/an/an/an/a7.425



Abbott Laboratories



Assay Description
Competition radioligand binding assays were performed with increasing concentrations of test compound in the presence of [3H]ligand. All binding reac...


J Med Chem 51: 5423-30 (2008)


Article DOI: 10.1021/jm8003625
BindingDB Entry DOI: 10.7270/Q21G0JK0
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
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (Human))
BDBM50107863
PNG
((-)-cytisine | (1R,9R)-7,11-diazatricyclo[7.3.1.0~...)
Show SMILES O=c1cccc2[C@H]3CNC[C@@H](C3)Cn12
Show InChI InChI=1S/C11H14N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h1-3,8-9,12H,4-7H2
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0.430n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 276: 289-97 (1996)


BindingDB Entry DOI: 10.7270/Q2GM85T1
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM27208
PNG
((2S,3S)-2-amino-N,3-dimethyl-N-[(1R,2S,5S,6S,9R,12...)
Show SMILES [H][C@@]1(C)N(C)C[C@]23CC[C@@]4([H])[C@@]([H])(CC=C5C[C@H](CC[C@]45C)N(C)C(=O)[C@@H](N)[C@@H](C)CC)[C@]2([H])CC[C@]13[H] |r,t:14|
Show InChI InChI=1S/C29H49N3O/c1-7-18(2)26(30)27(33)32(6)21-12-14-28(4)20(16-21)8-9-22-24(28)13-15-29-17-31(5)19(3)23(29)10-11-25(22)29/h8,18-19,21-26H,7,9-17,30H2,1-6H3/t18-,19-,21-,22+,23+,24-,25-,26-,28-,29-/m0/s1
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0.490n/an/an/an/an/an/an/an/a



Abbott Laboratories



Assay Description
Competition radioligand binding assays were performed with increasing concentrations of test compound in the presence of [3H]ligand. All binding reac...


J Med Chem 51: 5423-30 (2008)


Article DOI: 10.1021/jm8003625
BindingDB Entry DOI: 10.7270/Q21G0JK0
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
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (Human))
BDBM50023330
PNG
(1-(9-Aza-bicyclo[4.2.1]non-2-en-2-yl)-ethanone | 1...)
Show SMILES CC(=O)C1=CCCC2CCC1N2 |t:3,THB:1:3:11:9.8|
Show InChI InChI=1S/C10H15NO/c1-7(12)9-4-2-3-8-5-6-10(9)11-8/h4,8,10-11H,2-3,5-6H2,1H3
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0.550n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 276: 289-97 (1996)


BindingDB Entry DOI: 10.7270/Q2GM85T1
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
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM27213
PNG
(4-[3-(4-cyclopropanecarbonylphenoxy)propyl]-1H-imi...)
Show SMILES O=C(C1CC1)c1ccc(OCCCc2cnc[nH]2)cc1
Show InChI InChI=1S/C16H18N2O2/c19-16(12-3-4-12)13-5-7-15(8-6-13)20-9-1-2-14-10-17-11-18-14/h5-8,10-12H,1-4,9H2,(H,17,18)
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0.630n/an/an/an/an/an/an/an/a



Abbott Laboratories



Assay Description
Competition radioligand binding assays were performed with increasing concentrations of test compound in the presence of [3H]ligand. All binding reac...


J Med Chem 51: 5423-30 (2008)


Article DOI: 10.1021/jm8003625
BindingDB Entry DOI: 10.7270/Q21G0JK0
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))
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 subunit alpha-4


(Homo sapiens (Human))
BDBM50004108
PNG
((+-)-nicotine | (R,S)-nicotine | (RS)-nicotine | 3...)
Show SMILES CN1CCCC1c1cccnc1
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
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1n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




Neuropharmacology 35: 725-34 (1996)


Article DOI: 10.1016/0028-3908(96)84644-2
BindingDB Entry DOI: 10.7270/Q237777N
More data for this
Ligand-Target Pair
n-AChR


(RAT)
BDBM50004108
PNG
((+-)-nicotine | (R,S)-nicotine | (RS)-nicotine | 3...)
Show SMILES CN1CCCC1c1cccnc1
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
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1n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




Neuropharmacology 35: 725-34 (1996)


Article DOI: 10.1016/0028-3908(96)84644-2
BindingDB Entry DOI: 10.7270/Q237777N
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (Human))
BDBM50004108
PNG
((+-)-nicotine | (R,S)-nicotine | (RS)-nicotine | 3...)
Show SMILES CN1CCCC1c1cccnc1
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
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1.05n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 276: 289-97 (1996)


BindingDB Entry DOI: 10.7270/Q2GM85T1
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
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM27212
PNG
((2S)-2-acetamido-N-methyl-3-phenyl-N-[(1R,2S,5S,6S...)
Show SMILES [H][C@@]1(C)N(C)C[C@]23CC[C@@]4([H])[C@@]([H])(CC=C5C[C@H](CC[C@]45C)N(C)C(=O)[C@H](Cc4ccccc4)NC(C)=O)[C@]2([H])CC[C@]13[H] |r,t:14|
Show InChI InChI=1S/C34H49N3O2/c1-22-28-13-14-30-27-12-11-25-20-26(15-17-33(25,3)29(27)16-18-34(28,30)21-36(22)4)37(5)32(39)31(35-23(2)38)19-24-9-7-6-8-10-24/h6-11,22,26-31H,12-21H2,1-5H3,(H,35,38)/t22-,26-,27+,28+,29-,30-,31-,33-,34-/m0/s1
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1.15 -51.0n/an/an/an/an/a7.425



Abbott Laboratories



Assay Description
Competition radioligand binding assays were performed with increasing concentrations of test compound in the presence of [3H]ligand. All binding reac...


J Med Chem 51: 5423-30 (2008)


Article DOI: 10.1021/jm8003625
BindingDB Entry DOI: 10.7270/Q21G0JK0
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
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
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50119707
PNG
(4-[3-(4-Hexanoyl-phenoxy)-propyl]-piperazine-1-car...)
Show SMILES CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)OCC)cc1
Show InChI InChI=1S/C22H34N2O4/c1-3-5-6-8-21(25)19-9-11-20(12-10-19)28-18-7-13-23-14-16-24(17-15-23)22(26)27-4-2/h9-12H,3-8,13-18H2,1-2H3
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1.40n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




Bioorg Med Chem Lett 12: 2031-4 (2002)


BindingDB Entry DOI: 10.7270/Q2MK6G21
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
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM27211
PNG
((2S)-2-acetamido-N,4-dimethyl-N-[(1R,2S,5S,6S,9R,1...)
Show SMILES [H][C@@]1(C)N(C)C[C@]23CC[C@@]4([H])[C@@]([H])(CC=C5C[C@H](CC[C@]45C)N(C)C(=O)[C@H](CC(C)C)NC(C)=O)[C@]2([H])CC[C@]13[H] |r,t:14|
Show InChI InChI=1S/C31H51N3O2/c1-19(2)16-28(32-21(4)35)29(36)34(7)23-12-14-30(5)22(17-23)8-9-24-26(30)13-15-31-18-33(6)20(3)25(31)10-11-27(24)31/h8,19-20,23-28H,9-18H2,1-7H3,(H,32,35)/t20-,23-,24+,25+,26-,27-,28-,30-,31-/m0/s1
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1.62 -50.2n/an/an/an/an/a7.425



Abbott Laboratories



Assay Description
Competition radioligand binding assays were performed with increasing concentrations of test compound in the presence of [3H]ligand. All binding reac...


J Med Chem 51: 5423-30 (2008)


Article DOI: 10.1021/jm8003625
BindingDB Entry DOI: 10.7270/Q21G0JK0
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM27201
PNG
(4-{methyl[(1R,2S,5S,6S,9R,12S,13R,16S)-6,7,13-trim...)
Show SMILES [H][C@@]1(C)N(C)C[C@]23CC[C@@]4([H])[C@@]([H])(CC=C5C[C@H](CC[C@]45C)N(C)c4ccc(cc4)C#N)[C@]2([H])CC[C@]13[H] |r,t:14|
Show InChI InChI=1S/C30H41N3/c1-20-26-11-12-28-25-10-7-22-17-24(33(4)23-8-5-21(18-31)6-9-23)13-15-29(22,2)27(25)14-16-30(26,28)19-32(20)3/h5-9,20,24-28H,10-17,19H2,1-4H3/t20-,24-,25+,26+,27-,28-,29-,30-/m0/s1
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1.66 -50.1n/an/an/an/an/a7.425



Abbott Laboratories



Assay Description
Competition radioligand binding assays were performed with increasing concentrations of test compound in the presence of [3H]ligand. All binding reac...


J Med Chem 51: 5423-30 (2008)


Article DOI: 10.1021/jm8003625
BindingDB Entry DOI: 10.7270/Q21G0JK0
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
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (Human))
BDBM50047021
PNG
(2-(6-(2-hydroxy-2-phenylethyl)-1-methylpiperidin-2...)
Show SMILES CN1C(CC(O)c2ccccc2)CCCC1CC(=O)c1ccccc1
Show InChI InChI=1S/C22H27NO2/c1-23-19(15-21(24)17-9-4-2-5-10-17)13-8-14-20(23)16-22(25)18-11-6-3-7-12-18/h2-7,9-12,19-21,24H,8,13-16H2,1H3
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1.92n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 276: 289-97 (1996)


BindingDB Entry DOI: 10.7270/Q2GM85T1
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
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50220338
PNG
(CHEMBL302886)
Show SMILES CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)C2CC2)cc1
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2.10n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




Bioorg Med Chem Lett 12: 2031-4 (2002)


BindingDB Entry DOI: 10.7270/Q2MK6G21
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
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