Found 27 hits with Last Name = 'melvin' and Initial = 'ms' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Homo sapiens (Human)) | BDBM50490640
(3-Benzhydrylquinuclidine | CHEMBL2332279)Show SMILES C1CN2CCC1C(C2)C(c1ccccc1)c1ccccc1 |(6.28,-10.59,;6.27,-12.14,;7.6,-12.91,;6.82,-11.57,;6.89,-10.57,;7.61,-9.83,;8.94,-10.6,;8.95,-12.14,;10.27,-9.83,;10.27,-8.29,;8.94,-7.52,;8.94,-5.97,;10.27,-5.2,;11.61,-5.97,;11.61,-7.52,;11.61,-10.6,;11.6,-12.14,;12.93,-12.91,;14.27,-12.14,;14.26,-10.59,;12.93,-9.82,)| Show InChI InChI=1S/C20H23N/c1-3-7-17(8-4-1)20(18-9-5-2-6-10-18)19-15-21-13-11-16(19)12-14-21/h1-10,16,19-20H,11-15H2 | PDB
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| PC cid
PC sid
UniChem
| Article
PubMed
| 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Targacept, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]epibatidine from human alpha3beta4 nAChR expressed in CHO cells after 2 hrs by liquid scintillation counting |
Bioorg Med Chem Lett 23: 1450-5 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.054
BindingDB Entry DOI: 10.7270/Q2SQ939P |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Homo sapiens (Human)) | BDBM50397943
(CHEMBL2179959)Show SMILES C1CN2CCC1\C(C2)=C\c1cccnc1 |(25.06,-6.85,;25.06,-8.39,;26.39,-9.15,;27.1,-7.8,;25.61,-7.4,;26.39,-6.07,;27.72,-6.85,;27.72,-8.39,;29.06,-6.08,;30.39,-6.85,;31.72,-6.09,;33.06,-6.85,;33.07,-8.4,;31.73,-9.17,;30.39,-8.4,)| Show InChI InChI=1S/C13H16N2/c1-2-11(9-14-5-1)8-13-10-15-6-3-12(13)4-7-15/h1-2,5,8-9,12H,3-4,6-7,10H2/b13-8+ | PDB
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| CHEMBL
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| Article
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| 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Targacept, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]epibatidine from human alpha3beta4 nAChR expressed in CHO cells after 2 hrs by liquid scintillation counting |
Bioorg Med Chem Lett 23: 1450-5 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.054
BindingDB Entry DOI: 10.7270/Q2SQ939P |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Homo sapiens (Human)) | BDBM50490641
(CHEMBL2332277)Show SMILES N#CC(C1CN2CCC1CC2)c1ccccc1 |(10.94,-23.59,;9.6,-22.82,;8.27,-22.05,;6.93,-22.82,;6.94,-24.36,;5.6,-25.13,;4.26,-24.35,;4.27,-22.81,;5.6,-22.05,;4.88,-22.79,;4.81,-23.78,;8.27,-20.51,;6.93,-19.74,;6.93,-18.19,;8.26,-17.42,;9.6,-18.19,;9.6,-19.74,)| Show InChI InChI=1S/C15H18N2/c16-10-14(12-4-2-1-3-5-12)15-11-17-8-6-13(15)7-9-17/h1-5,13-15H,6-9,11H2 | PDB
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| PC cid
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| Article
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| 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Targacept, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]epibatidine from human alpha3beta4 nAChR expressed in CHO cells after 2 hrs by liquid scintillation counting |
Bioorg Med Chem Lett 23: 1450-5 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.054
BindingDB Entry DOI: 10.7270/Q2SQ939P |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Homo sapiens (Human)) | BDBM50270282
((E/Z)-3-benzylidenequinuclidine | CHEMBL478358)Show SMILES C1CN2CCC1\C(C2)=C\c1ccccc1 |(-9.93,3.02,;-9.93,1.47,;-8.6,.7,;-7.85,2.03,;-9.33,2.44,;-8.6,3.79,;-7.26,3.02,;-7.26,1.47,;-5.93,3.79,;-4.59,3.01,;-4.6,1.48,;-3.27,.71,;-1.94,1.47,;-1.94,3.02,;-3.27,3.78,)| Show InChI InChI=1S/C14H17N/c1-2-4-12(5-3-1)10-14-11-15-8-6-13(14)7-9-15/h1-5,10,13H,6-9,11H2/b14-10+ | PDB
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| Article
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| 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Targacept, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]epibatidine from human alpha3beta4 nAChR expressed in CHO cells after 2 hrs by liquid scintillation counting |
Bioorg Med Chem Lett 23: 1450-5 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.054
BindingDB Entry DOI: 10.7270/Q2SQ939P |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Homo sapiens (Human)) | BDBM50441363
(CHEMBL2332280)Show SMILES [#6](\[#6]=[#6](\c1ccccc1)-c1ccccc1)-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1 Show InChI InChI=1S/C20H23N/c1-4-10-18(11-5-1)20(19-12-6-2-7-13-19)14-17-21-15-8-3-9-16-21/h1-2,4-7,10-14H,3,8-9,15-17H2 | PDB
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| 2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Targacept, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]epibatidine from human alpha3beta4 nAChR expressed in CHO cells after 2 hrs by liquid scintillation counting |
Bioorg Med Chem Lett 23: 1450-5 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.054
BindingDB Entry DOI: 10.7270/Q2SQ939P |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Homo sapiens (Human)) | BDBM50490639
(CHEMBL2332278)Show SMILES C(c1ccccc1)[N+]12CCC(CC1)C(C2)C(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C27H30N.ClH/c1-4-10-22(11-5-1)20-28-18-16-23(17-19-28)26(21-28)27(24-12-6-2-7-13-24)25-14-8-3-9-15-25;/h1-15,23,26-27H,16-21H2;1H/q+1;/p-1 | PDB
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| PC cid
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| Article
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| 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Targacept, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]epibatidine from human alpha3beta4 nAChR expressed in CHO cells after 2 hrs by liquid scintillation counting |
Bioorg Med Chem Lett 23: 1450-5 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.054
BindingDB Entry DOI: 10.7270/Q2SQ939P |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Homo sapiens (Human)) | BDBM50441360
(CHEMBL2332276)Show InChI InChI=1S/C19H23N2/c1-3-7-17(8-4-1)19(18-9-5-2-6-10-18)21-14-11-20(12-15-21)13-16-21/h1-10,19H,11-16H2/q+1 | PDB
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| 8.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Targacept, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]epibatidine from human alpha3beta4 nAChR expressed in CHO cells after 2 hrs by liquid scintillation counting |
Bioorg Med Chem Lett 23: 1450-5 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.054
BindingDB Entry DOI: 10.7270/Q2SQ939P |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(RAT) | BDBM50441363
(CHEMBL2332280)Show SMILES [#6](\[#6]=[#6](\c1ccccc1)-c1ccccc1)-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1 Show InChI InChI=1S/C20H23N/c1-4-10-18(11-5-1)20(19-12-6-2-7-13-19)14-17-21-15-8-3-9-16-21/h1-2,4-7,10-14H,3,8-9,15-17H2 | Reactome pathway
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| Article
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| n/a | n/a | 76 | n/a | n/a | n/a | n/a | n/a | n/a |
Targacept, Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at rat muscarinic M1 receptor isolated from brain |
Bioorg Med Chem Lett 23: 1450-5 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.054
BindingDB Entry DOI: 10.7270/Q2SQ939P |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Homo sapiens (Human)) | BDBM50490639
(CHEMBL2332278)Show SMILES C(c1ccccc1)[N+]12CCC(CC1)C(C2)C(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C27H30N.ClH/c1-4-10-22(11-5-1)20-28-18-16-23(17-19-28)26(21-28)27(24-12-6-2-7-13-24)25-14-8-3-9-15-25;/h1-15,23,26-27H,16-21H2;1H/q+1;/p-1 | PDB
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| PC cid
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| Article
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| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
Targacept, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human alpha3beta4 nAChR expressed in CHO cells assessed as inhibition of calcium influx by calcium-4 based FLIPR analysis |
Bioorg Med Chem Lett 23: 1450-5 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.054
BindingDB Entry DOI: 10.7270/Q2SQ939P |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Homo sapiens (Human)) | BDBM50441363
(CHEMBL2332280)Show SMILES [#6](\[#6]=[#6](\c1ccccc1)-c1ccccc1)-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1 Show InChI InChI=1S/C20H23N/c1-4-10-18(11-5-1)20(19-12-6-2-7-13-19)14-17-21-15-8-3-9-16-21/h1-2,4-7,10-14H,3,8-9,15-17H2 | PDB
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| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Targacept, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human alpha3beta4 nAChR expressed in CHO cells assessed as inhibition of calcium influx by calcium-4 based FLIPR analysis |
Bioorg Med Chem Lett 23: 1450-5 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.054
BindingDB Entry DOI: 10.7270/Q2SQ939P |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Homo sapiens (Human)) | BDBM50490640
(3-Benzhydrylquinuclidine | CHEMBL2332279)Show SMILES C1CN2CCC1C(C2)C(c1ccccc1)c1ccccc1 |(6.28,-10.59,;6.27,-12.14,;7.6,-12.91,;6.82,-11.57,;6.89,-10.57,;7.61,-9.83,;8.94,-10.6,;8.95,-12.14,;10.27,-9.83,;10.27,-8.29,;8.94,-7.52,;8.94,-5.97,;10.27,-5.2,;11.61,-5.97,;11.61,-7.52,;11.61,-10.6,;11.6,-12.14,;12.93,-12.91,;14.27,-12.14,;14.26,-10.59,;12.93,-9.82,)| Show InChI InChI=1S/C20H23N/c1-3-7-17(8-4-1)20(18-9-5-2-6-10-18)19-15-21-13-11-16(19)12-14-21/h1-10,16,19-20H,11-15H2 | PDB
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| PC cid
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| Article
PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Targacept, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human alpha3beta4 nAChR expressed in CHO cells assessed as inhibition of calcium influx by calcium-4 based FLIPR analysis |
Bioorg Med Chem Lett 23: 1450-5 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.054
BindingDB Entry DOI: 10.7270/Q2SQ939P |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(RAT) | BDBM50441363
(CHEMBL2332280)Show SMILES [#6](\[#6]=[#6](\c1ccccc1)-c1ccccc1)-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1 Show InChI InChI=1S/C20H23N/c1-4-10-18(11-5-1)20(19-12-6-2-7-13-19)14-17-21-15-8-3-9-16-21/h1-2,4-7,10-14H,3,8-9,15-17H2 | PDB
Reactome pathway
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| Article
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| n/a | n/a | 372 | n/a | n/a | n/a | n/a | n/a | n/a |
Targacept, Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at rat muscarinic M2 receptor isolated from brain |
Bioorg Med Chem Lett 23: 1450-5 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.054
BindingDB Entry DOI: 10.7270/Q2SQ939P |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Homo sapiens (Human)) | BDBM50441363
(CHEMBL2332280)Show SMILES [#6](\[#6]=[#6](\c1ccccc1)-c1ccccc1)-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1 Show InChI InChI=1S/C20H23N/c1-4-10-18(11-5-1)20(19-12-6-2-7-13-19)14-17-21-15-8-3-9-16-21/h1-2,4-7,10-14H,3,8-9,15-17H2 | PDB
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| n/a | n/a | 380 | n/a | n/a | n/a | n/a | n/a | n/a |
Targacept, Inc.
Curated by ChEMBL
| Assay Description
Non-competitive antagonist activity at human alpha3beta4 nAChR expressed in CHO cells assessed as inhibition of nicotine-induced calcium influx incub... |
Bioorg Med Chem Lett 23: 1450-5 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.054
BindingDB Entry DOI: 10.7270/Q2SQ939P |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Homo sapiens (Human)) | BDBM50441363
(CHEMBL2332280)Show SMILES [#6](\[#6]=[#6](\c1ccccc1)-c1ccccc1)-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1 Show InChI InChI=1S/C20H23N/c1-4-10-18(11-5-1)20(19-12-6-2-7-13-19)14-17-21-15-8-3-9-16-21/h1-2,4-7,10-14H,3,8-9,15-17H2 | PDB
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| n/a | n/a | 380 | n/a | n/a | n/a | n/a | n/a | n/a |
Targacept, Inc.
Curated by ChEMBL
| Assay Description
Non-competitive antagonist activity at human alpha3beta4 nAChR expressed in CHO cells assessed as inhibition of nicotine-induced calcium influx incub... |
Bioorg Med Chem Lett 23: 1450-5 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.054
BindingDB Entry DOI: 10.7270/Q2SQ939P |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Homo sapiens (Human)) | BDBM50490640
(3-Benzhydrylquinuclidine | CHEMBL2332279)Show SMILES C1CN2CCC1C(C2)C(c1ccccc1)c1ccccc1 |(6.28,-10.59,;6.27,-12.14,;7.6,-12.91,;6.82,-11.57,;6.89,-10.57,;7.61,-9.83,;8.94,-10.6,;8.95,-12.14,;10.27,-9.83,;10.27,-8.29,;8.94,-7.52,;8.94,-5.97,;10.27,-5.2,;11.61,-5.97,;11.61,-7.52,;11.61,-10.6,;11.6,-12.14,;12.93,-12.91,;14.27,-12.14,;14.26,-10.59,;12.93,-9.82,)| Show InChI InChI=1S/C20H23N/c1-3-7-17(8-4-1)20(18-9-5-2-6-10-18)19-15-21-13-11-16(19)12-14-21/h1-10,16,19-20H,11-15H2 | PDB
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| Article
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| n/a | n/a | 398 | n/a | n/a | n/a | n/a | n/a | n/a |
Targacept, Inc.
Curated by ChEMBL
| Assay Description
Non-competitive antagonist activity at human alpha3beta4 nAChR expressed in CHO cells assessed as inhibition of nicotine-induced calcium influx incub... |
Bioorg Med Chem Lett 23: 1450-5 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.054
BindingDB Entry DOI: 10.7270/Q2SQ939P |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Homo sapiens (Human)) | BDBM50490640
(3-Benzhydrylquinuclidine | CHEMBL2332279)Show SMILES C1CN2CCC1C(C2)C(c1ccccc1)c1ccccc1 |(6.28,-10.59,;6.27,-12.14,;7.6,-12.91,;6.82,-11.57,;6.89,-10.57,;7.61,-9.83,;8.94,-10.6,;8.95,-12.14,;10.27,-9.83,;10.27,-8.29,;8.94,-7.52,;8.94,-5.97,;10.27,-5.2,;11.61,-5.97,;11.61,-7.52,;11.61,-10.6,;11.6,-12.14,;12.93,-12.91,;14.27,-12.14,;14.26,-10.59,;12.93,-9.82,)| Show InChI InChI=1S/C20H23N/c1-3-7-17(8-4-1)20(18-9-5-2-6-10-18)19-15-21-13-11-16(19)12-14-21/h1-10,16,19-20H,11-15H2 | PDB
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| PC cid
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| Article
PubMed
| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
Targacept, Inc.
Curated by ChEMBL
| Assay Description
Non-competitive antagonist activity at human alpha3beta4 nAChR expressed in CHO cells assessed as inhibition of nicotine-induced calcium influx incub... |
Bioorg Med Chem Lett 23: 1450-5 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.054
BindingDB Entry DOI: 10.7270/Q2SQ939P |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Homo sapiens (Human)) | BDBM50490639
(CHEMBL2332278)Show SMILES C(c1ccccc1)[N+]12CCC(CC1)C(C2)C(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C27H30N.ClH/c1-4-10-22(11-5-1)20-28-18-16-23(17-19-28)26(21-28)27(24-12-6-2-7-13-24)25-14-8-3-9-15-25;/h1-15,23,26-27H,16-21H2;1H/q+1;/p-1 | PDB
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| PC cid
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| Article
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| n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
Targacept, Inc.
Curated by ChEMBL
| Assay Description
Non-competitive antagonist activity at human alpha3beta4 nAChR expressed in CHO cells assessed as inhibition of nicotine-induced calcium influx incub... |
Bioorg Med Chem Lett 23: 1450-5 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.054
BindingDB Entry DOI: 10.7270/Q2SQ939P |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Homo sapiens (Human)) | BDBM50490639
(CHEMBL2332278)Show SMILES C(c1ccccc1)[N+]12CCC(CC1)C(C2)C(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C27H30N.ClH/c1-4-10-22(11-5-1)20-28-18-16-23(17-19-28)26(21-28)27(24-12-6-2-7-13-24)25-14-8-3-9-15-25;/h1-15,23,26-27H,16-21H2;1H/q+1;/p-1 | PDB
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| n/a | n/a | 603 | n/a | n/a | n/a | n/a | n/a | n/a |
Targacept, Inc.
Curated by ChEMBL
| Assay Description
Non-competitive antagonist activity at human alpha3beta4 nAChR expressed in CHO cells assessed as inhibition of nicotine-induced calcium influx incub... |
Bioorg Med Chem Lett 23: 1450-5 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.054
BindingDB Entry DOI: 10.7270/Q2SQ939P |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Homo sapiens (Human)) | BDBM50270282
((E/Z)-3-benzylidenequinuclidine | CHEMBL478358)Show SMILES C1CN2CCC1\C(C2)=C\c1ccccc1 |(-9.93,3.02,;-9.93,1.47,;-8.6,.7,;-7.85,2.03,;-9.33,2.44,;-8.6,3.79,;-7.26,3.02,;-7.26,1.47,;-5.93,3.79,;-4.59,3.01,;-4.6,1.48,;-3.27,.71,;-1.94,1.47,;-1.94,3.02,;-3.27,3.78,)| Show InChI InChI=1S/C14H17N/c1-2-4-12(5-3-1)10-14-11-15-8-6-13(14)7-9-15/h1-5,10,13H,6-9,11H2/b14-10+ | PDB
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PubMed
| n/a | n/a | 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Targacept, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human alpha3beta4 nAChR expressed in CHO cells assessed as inhibition of calcium influx by calcium-4 based FLIPR analysis |
Bioorg Med Chem Lett 23: 1450-5 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.054
BindingDB Entry DOI: 10.7270/Q2SQ939P |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Homo sapiens (Human)) | BDBM50397943
(CHEMBL2179959)Show SMILES C1CN2CCC1\C(C2)=C\c1cccnc1 |(25.06,-6.85,;25.06,-8.39,;26.39,-9.15,;27.1,-7.8,;25.61,-7.4,;26.39,-6.07,;27.72,-6.85,;27.72,-8.39,;29.06,-6.08,;30.39,-6.85,;31.72,-6.09,;33.06,-6.85,;33.07,-8.4,;31.73,-9.17,;30.39,-8.4,)| Show InChI InChI=1S/C13H16N2/c1-2-11(9-14-5-1)8-13-10-15-6-3-12(13)4-7-15/h1-2,5,8-9,12H,3-4,6-7,10H2/b13-8+ | PDB
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| Article
PubMed
| n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Targacept, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human alpha3beta4 nAChR expressed in CHO cells assessed as inhibition of calcium influx by calcium-4 based FLIPR analysis |
Bioorg Med Chem Lett 23: 1450-5 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.054
BindingDB Entry DOI: 10.7270/Q2SQ939P |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Homo sapiens (Human)) | BDBM50441360
(CHEMBL2332276)Show InChI InChI=1S/C19H23N2/c1-3-7-17(8-4-1)19(18-9-5-2-6-10-18)21-14-11-20(12-15-21)13-16-21/h1-10,19H,11-16H2/q+1 | PDB
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| n/a | n/a | 1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Targacept, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human alpha3beta4 nAChR expressed in CHO cells assessed as inhibition of calcium influx by calcium-4 based FLIPR analysis |
Bioorg Med Chem Lett 23: 1450-5 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.054
BindingDB Entry DOI: 10.7270/Q2SQ939P |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Homo sapiens (Human)) | BDBM50490641
(CHEMBL2332277)Show SMILES N#CC(C1CN2CCC1CC2)c1ccccc1 |(10.94,-23.59,;9.6,-22.82,;8.27,-22.05,;6.93,-22.82,;6.94,-24.36,;5.6,-25.13,;4.26,-24.35,;4.27,-22.81,;5.6,-22.05,;4.88,-22.79,;4.81,-23.78,;8.27,-20.51,;6.93,-19.74,;6.93,-18.19,;8.26,-17.42,;9.6,-18.19,;9.6,-19.74,)| Show InChI InChI=1S/C15H18N2/c16-10-14(12-4-2-1-3-5-12)15-11-17-8-6-13(15)7-9-17/h1-5,13-15H,6-9,11H2 | PDB
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| n/a | n/a | 2.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Targacept, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human alpha3beta4 nAChR expressed in CHO cells assessed as inhibition of calcium influx by calcium-4 based FLIPR analysis |
Bioorg Med Chem Lett 23: 1450-5 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.054
BindingDB Entry DOI: 10.7270/Q2SQ939P |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Homo sapiens (Human)) | BDBM50270282
((E/Z)-3-benzylidenequinuclidine | CHEMBL478358)Show SMILES C1CN2CCC1\C(C2)=C\c1ccccc1 |(-9.93,3.02,;-9.93,1.47,;-8.6,.7,;-7.85,2.03,;-9.33,2.44,;-8.6,3.79,;-7.26,3.02,;-7.26,1.47,;-5.93,3.79,;-4.59,3.01,;-4.6,1.48,;-3.27,.71,;-1.94,1.47,;-1.94,3.02,;-3.27,3.78,)| Show InChI InChI=1S/C14H17N/c1-2-4-12(5-3-1)10-14-11-15-8-6-13(14)7-9-15/h1-5,10,13H,6-9,11H2/b14-10+ | PDB
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| n/a | n/a | n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a |
Targacept, Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at human alpha3beta4 nAChR expressed in CHO cells assessed as calcium influx by calcium-4 based FLIPR analysis |
Bioorg Med Chem Lett 23: 1450-5 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.054
BindingDB Entry DOI: 10.7270/Q2SQ939P |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Homo sapiens (Human)) | BDBM50397943
(CHEMBL2179959)Show SMILES C1CN2CCC1\C(C2)=C\c1cccnc1 |(25.06,-6.85,;25.06,-8.39,;26.39,-9.15,;27.1,-7.8,;25.61,-7.4,;26.39,-6.07,;27.72,-6.85,;27.72,-8.39,;29.06,-6.08,;30.39,-6.85,;31.72,-6.09,;33.06,-6.85,;33.07,-8.4,;31.73,-9.17,;30.39,-8.4,)| Show InChI InChI=1S/C13H16N2/c1-2-11(9-14-5-1)8-13-10-15-6-3-12(13)4-7-15/h1-2,5,8-9,12H,3-4,6-7,10H2/b13-8+ | PDB
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| n/a | n/a | n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a |
Targacept, Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at human alpha3beta4 nAChR expressed in CHO cells assessed as calcium influx by calcium-4 based FLIPR analysis |
Bioorg Med Chem Lett 23: 1450-5 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.054
BindingDB Entry DOI: 10.7270/Q2SQ939P |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Homo sapiens (Human)) | BDBM50490639
(CHEMBL2332278)Show SMILES C(c1ccccc1)[N+]12CCC(CC1)C(C2)C(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C27H30N.ClH/c1-4-10-22(11-5-1)20-28-18-16-23(17-19-28)26(21-28)27(24-12-6-2-7-13-24)25-14-8-3-9-15-25;/h1-15,23,26-27H,16-21H2;1H/q+1;/p-1 | PDB
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| n/a | n/a | n/a | n/a | 9.00E+3 | n/a | n/a | n/a | n/a |
Targacept, Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at human alpha3beta4 nAChR expressed in CHO cells assessed as calcium influx by calcium-4 based FLIPR analysis |
Bioorg Med Chem Lett 23: 1450-5 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.054
BindingDB Entry DOI: 10.7270/Q2SQ939P |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Homo sapiens (Human)) | BDBM50441363
(CHEMBL2332280)Show SMILES [#6](\[#6]=[#6](\c1ccccc1)-c1ccccc1)-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1 Show InChI InChI=1S/C20H23N/c1-4-10-18(11-5-1)20(19-12-6-2-7-13-19)14-17-21-15-8-3-9-16-21/h1-2,4-7,10-14H,3,8-9,15-17H2 | PDB
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| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
Targacept, Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at human alpha3beta4 nAChR expressed in CHO cells assessed as calcium influx by calcium-4 based FLIPR analysis |
Bioorg Med Chem Lett 23: 1450-5 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.054
BindingDB Entry DOI: 10.7270/Q2SQ939P |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Homo sapiens (Human)) | BDBM50490640
(3-Benzhydrylquinuclidine | CHEMBL2332279)Show SMILES C1CN2CCC1C(C2)C(c1ccccc1)c1ccccc1 |(6.28,-10.59,;6.27,-12.14,;7.6,-12.91,;6.82,-11.57,;6.89,-10.57,;7.61,-9.83,;8.94,-10.6,;8.95,-12.14,;10.27,-9.83,;10.27,-8.29,;8.94,-7.52,;8.94,-5.97,;10.27,-5.2,;11.61,-5.97,;11.61,-7.52,;11.61,-10.6,;11.6,-12.14,;12.93,-12.91,;14.27,-12.14,;14.26,-10.59,;12.93,-9.82,)| Show InChI InChI=1S/C20H23N/c1-3-7-17(8-4-1)20(18-9-5-2-6-10-18)19-15-21-13-11-16(19)12-14-21/h1-10,16,19-20H,11-15H2 | PDB
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| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
Targacept, Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at human alpha3beta4 nAChR expressed in CHO cells assessed as calcium influx by calcium-4 based FLIPR analysis |
Bioorg Med Chem Lett 23: 1450-5 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.054
BindingDB Entry DOI: 10.7270/Q2SQ939P |
More data for this
Ligand-Target Pair | |
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