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Compile Data Set for Download or QSAR

Found 1260 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
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50484591
PNG
(CHEMBL1939308)
Show SMILES Ic1cccc(NC(=O)c2cncc(c2)N2C[C@@H]3CNC[C@@H]3C2)c1
Show InChI InChI=1S/C18H19IN4O/c19-15-2-1-3-16(5-15)22-18(24)12-4-17(9-21-6-12)23-10-13-7-20-8-14(13)11-23/h1-6,9,13-14,20H,7-8,10-11H2,(H,22,24)/t13-,14+
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0.0200n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


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


J Med Chem 54: 7678-92 (2011)


Article DOI: 10.1021/jm201045m
BindingDB Entry DOI: 10.7270/Q20Z7646
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50364856
PNG
(CHEMBL1950167)
Show SMILES O=S1(=O)c2ccccc2-c2ccc(cc12)N1CCN2CCC1CC2
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 protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50484591
PNG
(CHEMBL1939308)
Show SMILES Ic1cccc(NC(=O)c2cncc(c2)N2C[C@@H]3CNC[C@@H]3C2)c1
Show InChI InChI=1S/C18H19IN4O/c19-15-2-1-3-16(5-15)22-18(24)12-4-17(9-21-6-12)23-10-13-7-20-8-14(13)11-23/h1-6,9,13-14,20H,7-8,10-11H2,(H,22,24)/t13-,14+
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0.0245n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


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


J Med Chem 54: 7678-92 (2011)


Article DOI: 10.1021/jm201045m
BindingDB Entry DOI: 10.7270/Q20Z7646
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50484594
PNG
(CHEMBL1939314)
Show SMILES Fc1cc(F)cc(NC(=O)c2cncc(c2)N2C[C@@H]3CNC[C@@H]3C2)c1
Show InChI InChI=1S/C18H18F2N4O/c19-14-2-15(20)4-16(3-14)23-18(25)11-1-17(8-22-5-11)24-9-12-6-21-7-13(12)10-24/h1-5,8,12-13,21H,6-7,9-10H2,(H,23,25)/t12-,13+
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0.0389n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


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


J Med Chem 54: 7678-92 (2011)


Article DOI: 10.1021/jm201045m
BindingDB Entry DOI: 10.7270/Q20Z7646
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50484594
PNG
(CHEMBL1939314)
Show SMILES Fc1cc(F)cc(NC(=O)c2cncc(c2)N2C[C@@H]3CNC[C@@H]3C2)c1
Show InChI InChI=1S/C18H18F2N4O/c19-14-2-15(20)4-16(3-14)23-18(25)11-1-17(8-22-5-11)24-9-12-6-21-7-13(12)10-24/h1-5,8,12-13,21H,6-7,9-10H2,(H,23,25)/t12-,13+
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0.0400n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


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


J Med Chem 54: 7678-92 (2011)


Article DOI: 10.1021/jm201045m
BindingDB Entry DOI: 10.7270/Q20Z7646
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
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)
BDBM50049757
PNG
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2
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))
BDBM50049757
PNG
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2
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
n-AChR


(RAT)
BDBM50049750
PNG
((S)-3-(azetidin-2-ylmethoxy)pyridine | 3-((S)-1-Az...)
Show SMILES C(Oc1cccnc1)[C@@H]1CCN1
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
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
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
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 Laboratories

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
n-AChR


(RAT)
BDBM50049757
PNG
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2
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 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
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
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
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))
BDBM50484593
PNG
(CHEMBL1939311)
Show SMILES Cc1cccc(NC(=O)c2cncc(c2)N2C[C@@H]3CNC[C@@H]3C2)c1
Show InChI InChI=1S/C19H22N4O/c1-13-3-2-4-17(5-13)22-19(24)14-6-18(10-21-7-14)23-11-15-8-20-9-16(15)12-23/h2-7,10,15-16,20H,8-9,11-12H2,1H3,(H,22,24)/t15-,16+
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0.0955n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


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


J Med Chem 54: 7678-92 (2011)


Article DOI: 10.1021/jm201045m
BindingDB Entry DOI: 10.7270/Q20Z7646
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50484593
PNG
(CHEMBL1939311)
Show SMILES Cc1cccc(NC(=O)c2cncc(c2)N2C[C@@H]3CNC[C@@H]3C2)c1
Show InChI InChI=1S/C19H22N4O/c1-13-3-2-4-17(5-13)22-19(24)14-6-18(10-21-7-14)23-11-15-8-20-9-16(15)12-23/h2-7,10,15-16,20H,8-9,11-12H2,1H3,(H,22,24)/t15-,16+
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0.100n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


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


J Med Chem 54: 7678-92 (2011)


Article DOI: 10.1021/jm201045m
BindingDB Entry DOI: 10.7270/Q20Z7646
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50279369
PNG
(CHEMBL460562 | cis-2-(3-Pyridinyl)octahydropyrrolo...)
Show SMILES C1NC[C@@H]2CN(C[C@H]12)c1cccnc1
Show InChI InChI=1S/C11H15N3/c1-2-11(6-12-3-1)14-7-9-4-13-5-10(9)8-14/h1-3,6,9-10,13H,4-5,7-8H2/t9-,10+
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0.126n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


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


J Med Chem 54: 7678-92 (2011)


Article DOI: 10.1021/jm201045m
BindingDB Entry DOI: 10.7270/Q20Z7646
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50279369
PNG
(CHEMBL460562 | cis-2-(3-Pyridinyl)octahydropyrrolo...)
Show SMILES C1NC[C@@H]2CN(C[C@H]12)c1cccnc1
Show InChI InChI=1S/C11H15N3/c1-2-11(6-12-3-1)14-7-9-4-13-5-10(9)8-14/h1-3,6,9-10,13H,4-5,7-8H2/t9-,10+
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0.130n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


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


J Med Chem 54: 7678-92 (2011)


Article DOI: 10.1021/jm201045m
BindingDB Entry DOI: 10.7270/Q20Z7646
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50484597
PNG
(CHEMBL1939310)
Show SMILES Clc1ccc(NC(=O)c2cncc(c2)N2C[C@@H]3CNC[C@@H]3C2)cc1
Show InChI InChI=1S/C18H19ClN4O/c19-15-1-3-16(4-2-15)22-18(24)12-5-17(9-21-6-12)23-10-13-7-20-8-14(13)11-23/h1-6,9,13-14,20H,7-8,10-11H2,(H,22,24)/t13-,14+
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0.200n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


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


J Med Chem 54: 7678-92 (2011)


Article DOI: 10.1021/jm201045m
BindingDB Entry DOI: 10.7270/Q20Z7646
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50484597
PNG
(CHEMBL1939310)
Show SMILES Clc1ccc(NC(=O)c2cncc(c2)N2C[C@@H]3CNC[C@@H]3C2)cc1
Show InChI InChI=1S/C18H19ClN4O/c19-15-1-3-16(4-2-15)22-18(24)12-5-17(9-21-6-12)23-10-13-7-20-8-14(13)11-23/h1-6,9,13-14,20H,7-8,10-11H2,(H,22,24)/t13-,14+
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0.200n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


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


J Med Chem 54: 7678-92 (2011)


Article DOI: 10.1021/jm201045m
BindingDB Entry DOI: 10.7270/Q20Z7646
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
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 Laboratories

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
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 Laboratories

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
Histamine H3 receptor


(Homo sapiens (Human))
BDBM27210
PNG
((2R)-N,3-dimethyl-2-(methylamino)-N-[(1R,2S,5S,6S,...)
Show SMILES CN[C@H](C(C)C)C(=O)N(C)[C@H]1CC[C@]2(C)[C@H]3CC[C@]45CN(C)[C@@H](C)[C@H]4CC[C@H]5[C@@H]3CC=C2C1
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 H3 receptor


(Homo sapiens (Human))
BDBM27208
PNG
((2S,3S)-2-amino-N,3-dimethyl-N-[(1R,2S,5S,6S,9R,12...)
Show SMILES CC[C@H](C)[C@H](N)C(=O)N(C)[C@H]1CC[C@]2(C)[C@H]3CC[C@]45CN(C)[C@@H](C)[C@H]4CC[C@H]5[C@@H]3CC=C2C1
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
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 protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50484589
PNG
(CHEMBL1939305)
Show SMILES O=C(N1CCc2ccccc2C1)c1cncc(c1)N1C[C@@H]2CNC[C@@H]2C1
Show InChI InChI=1S/C21H24N4O/c26-21(24-6-5-15-3-1-2-4-16(15)12-24)17-7-20(11-23-8-17)25-13-18-9-22-10-19(18)14-25/h1-4,7-8,11,18-19,22H,5-6,9-10,12-14H2/t18-,19+
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0.288n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


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


J Med Chem 54: 7678-92 (2011)


Article DOI: 10.1021/jm201045m
BindingDB Entry DOI: 10.7270/Q20Z7646
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50484622
PNG
(CHEMBL1939313)
Show SMILES COc1cc(NC(=O)c2cncc(c2)N2C[C@@H]3CNC[C@@H]3C2)cc(OC)c1
Show InChI InChI=1S/C20H24N4O3/c1-26-18-4-16(5-19(6-18)27-2)23-20(25)13-3-17(10-22-7-13)24-11-14-8-21-9-15(14)12-24/h3-7,10,14-15,21H,8-9,11-12H2,1-2H3,(H,23,25)/t14-,15+
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0.295n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


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


J Med Chem 54: 7678-92 (2011)


Article DOI: 10.1021/jm201045m
BindingDB Entry DOI: 10.7270/Q20Z7646
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
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 Laboratories

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
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 Laboratories

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))
BDBM50484623
PNG
(CHEMBL1939312)
Show SMILES Cc1cc(C)cc(NC(=O)c2cncc(c2)N2C[C@@H]3CNC[C@@H]3C2)c1
Show InChI InChI=1S/C20H24N4O/c1-13-3-14(2)5-18(4-13)23-20(25)15-6-19(10-22-7-15)24-11-16-8-21-9-17(16)12-24/h3-7,10,16-17,21H,8-9,11-12H2,1-2H3,(H,23,25)/t16-,17+
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0.300n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


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


J Med Chem 54: 7678-92 (2011)


Article DOI: 10.1021/jm201045m
BindingDB Entry DOI: 10.7270/Q20Z7646
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50484622
PNG
(CHEMBL1939313)
Show SMILES COc1cc(NC(=O)c2cncc(c2)N2C[C@@H]3CNC[C@@H]3C2)cc(OC)c1
Show InChI InChI=1S/C20H24N4O3/c1-26-18-4-16(5-19(6-18)27-2)23-20(25)13-3-17(10-22-7-13)24-11-14-8-21-9-15(14)12-24/h3-7,10,14-15,21H,8-9,11-12H2,1-2H3,(H,23,25)/t14-,15+
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0.300n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


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


J Med Chem 54: 7678-92 (2011)


Article DOI: 10.1021/jm201045m
BindingDB Entry DOI: 10.7270/Q20Z7646
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50484589
PNG
(CHEMBL1939305)
Show SMILES O=C(N1CCc2ccccc2C1)c1cncc(c1)N1C[C@@H]2CNC[C@@H]2C1
Show InChI InChI=1S/C21H24N4O/c26-21(24-6-5-15-3-1-2-4-16(15)12-24)17-7-20(11-23-8-17)25-13-18-9-22-10-19(18)14-25/h1-4,7-8,11,18-19,22H,5-6,9-10,12-14H2/t18-,19+
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0.300n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


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


J Med Chem 54: 7678-92 (2011)


Article DOI: 10.1021/jm201045m
BindingDB Entry DOI: 10.7270/Q20Z7646
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 protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50484623
PNG
(CHEMBL1939312)
Show SMILES Cc1cc(C)cc(NC(=O)c2cncc(c2)N2C[C@@H]3CNC[C@@H]3C2)c1
Show InChI InChI=1S/C20H24N4O/c1-13-3-14(2)5-18(4-13)23-20(25)15-6-19(10-22-7-15)24-11-16-8-21-9-17(16)12-24/h3-7,10,16-17,21H,8-9,11-12H2,1-2H3,(H,23,25)/t16-,17+
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0.339n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


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


J Med Chem 54: 7678-92 (2011)


Article DOI: 10.1021/jm201045m
BindingDB Entry DOI: 10.7270/Q20Z7646
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50484595
PNG
(CHEMBL1939280)
Show SMILES C1C[C@@H]2CN(C[C@@H]2N1)c1cccnc1
Show InChI InChI=1S/C11H15N3/c1-2-10(6-12-4-1)14-7-9-3-5-13-11(9)8-14/h1-2,4,6,9,11,13H,3,5,7-8H2/t9-,11+/m1/s1
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0.339n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


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


J Med Chem 54: 7678-92 (2011)


Article DOI: 10.1021/jm201045m
BindingDB Entry DOI: 10.7270/Q20Z7646
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50484595
PNG
(CHEMBL1939280)
Show SMILES C1C[C@@H]2CN(C[C@@H]2N1)c1cccnc1
Show InChI InChI=1S/C11H15N3/c1-2-10(6-12-4-1)14-7-9-3-5-13-11(9)8-14/h1-2,4,6,9,11,13H,3,5,7-8H2/t9-,11+/m1/s1
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0.340n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


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


J Med Chem 54: 7678-92 (2011)


Article DOI: 10.1021/jm201045m
BindingDB Entry DOI: 10.7270/Q20Z7646
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM27209
PNG
((2R,3R)-2-amino-N,3-dimethyl-N-[(1R,2S,5S,6S,9R,12...)
Show SMILES CC[C@@H](C)[C@@H](N)C(=O)N(C)[C@H]1CC[C@]2(C)[C@H]3CC[C@]45CN(C)[C@@H](C)[C@H]4CC[C@H]5[C@@H]3CC=C2C1
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
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 Laboratories

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 CC[C@H](C)[C@H](N)C(=O)N(C)[C@H]1CC[C@]2(C)[C@H]3CC[C@]45CN(C)[C@@H](C)[C@H]4CC[C@H]5[C@@H]3CC=C2C1
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
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 Laboratories

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
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
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 Laboratories

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
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 protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50484621
PNG
(CHEMBL1939295)
Show SMILES Clc1cccc(NC(=O)c2cncc(n2)N2C[C@@H]3CNC[C@@H]3C2)c1
Show InChI InChI=1S/C17H18ClN5O/c18-13-2-1-3-14(4-13)21-17(24)15-7-20-8-16(22-15)23-9-11-5-19-6-12(11)10-23/h1-4,7-8,11-12,19H,5-6,9-10H2,(H,21,24)/t11-,12+
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0.700n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


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


J Med Chem 54: 7678-92 (2011)


Article DOI: 10.1021/jm201045m
BindingDB Entry DOI: 10.7270/Q20Z7646
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50484621
PNG
(CHEMBL1939295)
Show SMILES Clc1cccc(NC(=O)c2cncc(n2)N2C[C@@H]3CNC[C@@H]3C2)c1
Show InChI InChI=1S/C17H18ClN5O/c18-13-2-1-3-14(4-13)21-17(24)15-7-20-8-16(22-15)23-9-11-5-19-6-12(11)10-23/h1-4,7-8,11-12,19H,5-6,9-10H2,(H,21,24)/t11-,12+
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0.724n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


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


J Med Chem 54: 7678-92 (2011)


Article DOI: 10.1021/jm201045m
BindingDB Entry DOI: 10.7270/Q20Z7646
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50484590
PNG
(CHEMBL1939307)
Show SMILES Fc1ccccc1CCNC(=O)c1cncc(c1)N1C[C@@H]2CNC[C@@H]2C1
Show InChI InChI=1S/C20H23FN4O/c21-19-4-2-1-3-14(19)5-6-24-20(26)15-7-18(11-23-8-15)25-12-16-9-22-10-17(16)13-25/h1-4,7-8,11,16-17,22H,5-6,9-10,12-13H2,(H,24,26)/t16-,17+
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0.776n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


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


J Med Chem 54: 7678-92 (2011)


Article DOI: 10.1021/jm201045m
BindingDB Entry DOI: 10.7270/Q20Z7646
More data for this
Ligand-Target Pair
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