Found 27 hits of Enzyme Inhibition Constant Data 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-7
(Rattus norvegicus (Rat)) | BDBM50049757
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)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 | PDB
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Article
PubMed
| 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]585539 from alpha7 nAChR in rat brain |
Bioorg Med Chem Lett 20: 104-7 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.023
BindingDB Entry DOI: 10.7270/Q2RF5VZQ |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50305362
((3aR,6aS)-2-(6-phenylpyridazin-3-yl)-5-(pyridin-3-...)Show SMILES C(N1C[C@H]2CN(C[C@H]2C1)c1ccc(nn1)-c1ccccc1)c1cccnc1 |r| Show InChI InChI=1S/C22H23N5/c1-2-6-18(7-3-1)21-8-9-22(25-24-21)27-15-19-13-26(14-20(19)16-27)12-17-5-4-10-23-11-17/h1-11,19-20H,12-16H2/t19-,20+ | PDB
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| 3.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]585539 from alpha7 nAChR in rat brain |
Bioorg Med Chem Lett 20: 104-7 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.023
BindingDB Entry DOI: 10.7270/Q2RF5VZQ |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50305361
(CHEMBL610751 | N-methyl-1-(6-phenylpyridazin-3-yl)...)Show InChI InChI=1S/C21H23N5/c1-25(15-18-9-5-6-13-22-18)19-12-14-26(16-19)21-11-10-20(23-24-21)17-7-3-2-4-8-17/h2-11,13,19H,12,14-16H2,1H3 | PDB
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| >10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]585539 from alpha7 nAChR in rat brain |
Bioorg Med Chem Lett 20: 104-7 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.023
BindingDB Entry DOI: 10.7270/Q2RF5VZQ |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50305367
(CHEMBL590618 | N-((6-chloropyridin-3-yl)methyl)-N-...)Show SMILES CN(Cc1ccc(Cl)nc1)C1CCN(C1)c1ccc(nn1)-c1ccccc1 Show InChI InChI=1S/C21H22ClN5/c1-26(14-16-7-9-20(22)23-13-16)18-11-12-27(15-18)21-10-8-19(24-25-21)17-5-3-2-4-6-17/h2-10,13,18H,11-12,14-15H2,1H3 | PDB
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| >10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]585539 from alpha7 nAChR in rat brain |
Bioorg Med Chem Lett 20: 104-7 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.023
BindingDB Entry DOI: 10.7270/Q2RF5VZQ |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50305363
(CHEMBL601061 | N-methyl-1-(6-phenylpyridazin-3-yl)...)Show InChI InChI=1S/C21H23N5/c1-25(15-17-6-5-12-22-14-17)19-11-13-26(16-19)21-10-9-20(23-24-21)18-7-3-2-4-8-18/h2-10,12,14,19H,11,13,15-16H2,1H3 | PDB
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| >10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]585539 from alpha7 nAChR in rat brain |
Bioorg Med Chem Lett 20: 104-7 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.023
BindingDB Entry DOI: 10.7270/Q2RF5VZQ |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50305372
(CHEMBL589648 | N-methyl-1-(6-phenylpyridazin-3-yl)...)Show InChI InChI=1S/C15H18N4/c1-16-13-9-10-19(11-13)15-8-7-14(17-18-15)12-5-3-2-4-6-12/h2-8,13,16H,9-11H2,1H3 | PDB
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| >10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]585539 from alpha7 nAChR in rat brain |
Bioorg Med Chem Lett 20: 104-7 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.023
BindingDB Entry DOI: 10.7270/Q2RF5VZQ |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50305359
(CHEMBL591097 | N-benzyl-N-methyl-1-(6-phenylpyrida...)Show InChI InChI=1S/C22H24N4/c1-25(16-18-8-4-2-5-9-18)20-14-15-26(17-20)22-13-12-21(23-24-22)19-10-6-3-7-11-19/h2-13,20H,14-17H2,1H3 | PDB
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| >10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]585539 from alpha7 nAChR in rat brain |
Bioorg Med Chem Lett 20: 104-7 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.023
BindingDB Entry DOI: 10.7270/Q2RF5VZQ |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50305365
(CHEMBL590617 | N-methyl-1-(6-phenylpyridazin-3-yl)...)Show InChI InChI=1S/C21H23N5/c1-25(15-17-9-12-22-13-10-17)19-11-14-26(16-19)21-8-7-20(23-24-21)18-5-3-2-4-6-18/h2-10,12-13,19H,11,14-16H2,1H3 | PDB
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| >10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]585539 from alpha7 nAChR in rat brain |
Bioorg Med Chem Lett 20: 104-7 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.023
BindingDB Entry DOI: 10.7270/Q2RF5VZQ |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50278956
((3aR,6aS)-2-methyl-5-(6-phenylpyridazin-3-yl)octah...)Show SMILES CN1C[C@H]2CN(C[C@H]2C1)c1ccc(nn1)-c1ccccc1 |r| Show InChI InChI=1S/C17H20N4/c1-20-9-14-11-21(12-15(14)10-20)17-8-7-16(18-19-17)13-5-3-2-4-6-13/h2-8,14-15H,9-12H2,1H3/t14-,15+ | PDB
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| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]585539 from alpha7 nAChR in rat brain |
Bioorg Med Chem Lett 20: 104-7 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.023
BindingDB Entry DOI: 10.7270/Q2RF5VZQ |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50278955
(CHEMBL506103 | CHEMBL610752 | cis-2-(6-Phenyl-pyri...)Show SMILES C1NC[C@@H]2CN(C[C@H]12)c1ccc(nn1)-c1ccccc1 |r| Show InChI InChI=1S/C16H18N4/c1-2-4-12(5-3-1)15-6-7-16(19-18-15)20-10-13-8-17-9-14(13)11-20/h1-7,13-14,17H,8-11H2/t13-,14+ | PDB
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| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]585539 from alpha7 nAChR in rat brain |
Bioorg Med Chem Lett 20: 104-7 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.023
BindingDB Entry DOI: 10.7270/Q2RF5VZQ |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50305369
((1S,3aR,6aR)-2-methyl-5-(6-phenylpyridazin-3-yl)-1...)Show SMILES CN1C[C@@H]2CN(C[C@@H]2[C@H]1COc1cccnc1)c1ccc(nn1)-c1ccccc1 |r| Show InChI InChI=1S/C23H25N5O/c1-27-13-18-14-28(15-20(18)22(27)16-29-19-8-5-11-24-12-19)23-10-9-21(25-26-23)17-6-3-2-4-7-17/h2-12,18,20,22H,13-16H2,1H3/t18-,20+,22-/m1/s1 | PDB
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| 42 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]585539 from alpha7 nAChR in rat brain |
Bioorg Med Chem Lett 20: 104-7 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.023
BindingDB Entry DOI: 10.7270/Q2RF5VZQ |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50305366
((3aR,6aS)-2-((6-chloropyridin-3-yl)methyl)-5-(6-ph...)Show SMILES Clc1ccc(CN2C[C@H]3CN(C[C@H]3C2)c2ccc(nn2)-c2ccccc2)cn1 |r| Show InChI InChI=1S/C22H22ClN5/c23-21-8-6-16(10-24-21)11-27-12-18-14-28(15-19(18)13-27)22-9-7-20(25-26-22)17-4-2-1-3-5-17/h1-10,18-19H,11-15H2/t18-,19+ | PDB
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| 102 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]585539 from alpha7 nAChR in rat brain |
Bioorg Med Chem Lett 20: 104-7 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.023
BindingDB Entry DOI: 10.7270/Q2RF5VZQ |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50305368
((1R,3aR,6aR)-2-methyl-5-(6-phenylpyridazin-3-yl)-1...)Show SMILES CN1C[C@@H]2CN(C[C@@H]2[C@@H]1COc1cccnc1)c1ccc(nn1)-c1ccccc1 |r| Show InChI InChI=1S/C23H25N5O/c1-27-13-18-14-28(15-20(18)22(27)16-29-19-8-5-11-24-12-19)23-10-9-21(25-26-23)17-6-3-2-4-7-17/h2-12,18,20,22H,13-16H2,1H3/t18-,20+,22+/m1/s1 | PDB
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| 320 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]585539 from alpha7 nAChR in rat brain |
Bioorg Med Chem Lett 20: 104-7 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.023
BindingDB Entry DOI: 10.7270/Q2RF5VZQ |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50278957
(CHEMBL498262 | CHEMBL594590 | cis-2-Ethyl-5-(6-phe...)Show SMILES CCN1C[C@H]2CN(C[C@H]2C1)c1ccc(nn1)-c1ccccc1 |r| Show InChI InChI=1S/C18H22N4/c1-2-21-10-15-12-22(13-16(15)11-21)18-9-8-17(19-20-18)14-6-4-3-5-7-14/h3-9,15-16H,2,10-13H2,1H3/t15-,16+ | PDB
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| 331 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]585539 from alpha7 nAChR in rat brain |
Bioorg Med Chem Lett 20: 104-7 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.023
BindingDB Entry DOI: 10.7270/Q2RF5VZQ |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50305358
((3aR,6aS)-2-benzyl-5-(6-phenylpyridazin-3-yl)octah...)Show SMILES C(N1C[C@H]2CN(C[C@H]2C1)c1ccc(nn1)-c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C23H24N4/c1-3-7-18(8-4-1)13-26-14-20-16-27(17-21(20)15-26)23-12-11-22(24-25-23)19-9-5-2-6-10-19/h1-12,20-21H,13-17H2/t20-,21+ | PDB
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| 476 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]585539 from alpha7 nAChR in rat brain |
Bioorg Med Chem Lett 20: 104-7 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.023
BindingDB Entry DOI: 10.7270/Q2RF5VZQ |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50305355
((+/-)-N,N-dimethyl-1-(6-phenylpyridazin-3-yl)pyrro...)Show InChI InChI=1S/C16H20N4/c1-19(2)14-10-11-20(12-14)16-9-8-15(17-18-16)13-6-4-3-5-7-13/h3-9,14H,10-12H2,1-2H3 | PDB
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| 478 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]585539 from alpha7 nAChR in rat brain |
Bioorg Med Chem Lett 20: 104-7 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.023
BindingDB Entry DOI: 10.7270/Q2RF5VZQ |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50305360
((3aR,6aS)-2-(6-phenylpyridazin-3-yl)-5-(pyridin-2-...)Show SMILES C(N1C[C@H]2CN(C[C@H]2C1)c1ccc(nn1)-c1ccccc1)c1ccccn1 |r| Show InChI InChI=1S/C22H23N5/c1-2-6-17(7-3-1)21-9-10-22(25-24-21)27-14-18-12-26(13-19(18)15-27)16-20-8-4-5-11-23-20/h1-11,18-19H,12-16H2/t18-,19+ | PDB
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| 533 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]585539 from alpha7 nAChR in rat brain |
Bioorg Med Chem Lett 20: 104-7 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.023
BindingDB Entry DOI: 10.7270/Q2RF5VZQ |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50305364
((3aR,6aS)-2-(6-phenylpyridazin-3-yl)-5-(pyridin-4-...)Show SMILES C(N1C[C@H]2CN(C[C@H]2C1)c1ccc(nn1)-c1ccccc1)c1ccncc1 |r| Show InChI InChI=1S/C22H23N5/c1-2-4-18(5-3-1)21-6-7-22(25-24-21)27-15-19-13-26(14-20(19)16-27)12-17-8-10-23-11-9-17/h1-11,19-20H,12-16H2/t19-,20+ | PDB
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| 541 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]585539 from alpha7 nAChR in rat brain |
Bioorg Med Chem Lett 20: 104-7 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.023
BindingDB Entry DOI: 10.7270/Q2RF5VZQ |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50305357
(CHEMBL601927 | N-ethyl-N-methyl-1-(6-phenylpyridaz...)Show InChI InChI=1S/C17H22N4/c1-3-20(2)15-11-12-21(13-15)17-10-9-16(18-19-17)14-7-5-4-6-8-14/h4-10,15H,3,11-13H2,1-2H3 | PDB
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| 746 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]585539 from alpha7 nAChR in rat brain |
Bioorg Med Chem Lett 20: 104-7 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.023
BindingDB Entry DOI: 10.7270/Q2RF5VZQ |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Homo sapiens (Human)) | BDBM50278956
((3aR,6aS)-2-methyl-5-(6-phenylpyridazin-3-yl)octah...)Show SMILES CN1C[C@H]2CN(C[C@H]2C1)c1ccc(nn1)-c1ccccc1 |r| Show InChI InChI=1S/C17H20N4/c1-20-9-14-11-21(12-15(14)10-20)17-8-7-16(18-19-17)13-5-3-2-4-6-13/h2-8,14-15H,9-12H2,1H3/t14-,15+ | PDB
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| Article
PubMed
| 4.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of alpha3beta4 nAChR |
Bioorg Med Chem Lett 20: 104-7 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.023
BindingDB Entry DOI: 10.7270/Q2RF5VZQ |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Rattus norvegicus (Rat)) | BDBM50278955
(CHEMBL506103 | CHEMBL610752 | cis-2-(6-Phenyl-pyri...)Show SMILES C1NC[C@@H]2CN(C[C@H]12)c1ccc(nn1)-c1ccccc1 |r| Show InChI InChI=1S/C16H18N4/c1-2-4-12(5-3-1)15-6-7-16(19-18-15)20-10-13-8-17-9-14(13)11-20/h1-7,13-14,17H,8-11H2/t13-,14+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]cytisine from rat brain alpha4beta2 nAChR |
Bioorg Med Chem Lett 20: 104-7 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.023
BindingDB Entry DOI: 10.7270/Q2RF5VZQ |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50278956
((3aR,6aS)-2-methyl-5-(6-phenylpyridazin-3-yl)octah...)Show SMILES CN1C[C@H]2CN(C[C@H]2C1)c1ccc(nn1)-c1ccccc1 |r| Show InChI InChI=1S/C17H20N4/c1-20-9-14-11-21(12-15(14)10-20)17-8-7-16(18-19-17)13-5-3-2-4-6-13/h2-8,14-15H,9-12H2,1H3/t14-,15+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of alpha4beta2 nAChR |
Bioorg Med Chem Lett 20: 104-7 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.023
BindingDB Entry DOI: 10.7270/Q2RF5VZQ |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Homo sapiens (Human)) | BDBM50305366
((3aR,6aS)-2-((6-chloropyridin-3-yl)methyl)-5-(6-ph...)Show SMILES Clc1ccc(CN2C[C@H]3CN(C[C@H]3C2)c2ccc(nn2)-c2ccccc2)cn1 |r| Show InChI InChI=1S/C22H22ClN5/c23-21-8-6-16(10-24-21)11-27-12-18-14-28(15-19(18)13-27)22-9-7-20(25-26-22)17-4-2-1-3-5-17/h1-10,18-19H,11-15H2/t18-,19+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.18E+4 | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Agonist activity at human recombinant alpha7 nAChR expressed in xenopus oocytes assessed as induction of Ca2+ current |
Bioorg Med Chem Lett 20: 104-7 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.023
BindingDB Entry DOI: 10.7270/Q2RF5VZQ |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Homo sapiens (Human)) | BDBM50305362
((3aR,6aS)-2-(6-phenylpyridazin-3-yl)-5-(pyridin-3-...)Show SMILES C(N1C[C@H]2CN(C[C@H]2C1)c1ccc(nn1)-c1ccccc1)c1cccnc1 |r| Show InChI InChI=1S/C22H23N5/c1-2-6-18(7-3-1)21-8-9-22(25-24-21)27-15-19-13-26(14-20(19)16-27)12-17-5-4-10-23-11-17/h1-11,19-20H,12-16H2/t19-,20+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 9.36E+3 | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Agonist activity at human recombinant alpha7 nAChR expressed in xenopus oocytes assessed as induction of Ca2+ current |
Bioorg Med Chem Lett 20: 104-7 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.023
BindingDB Entry DOI: 10.7270/Q2RF5VZQ |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Homo sapiens (Human)) | BDBM50305368
((1R,3aR,6aR)-2-methyl-5-(6-phenylpyridazin-3-yl)-1...)Show SMILES CN1C[C@@H]2CN(C[C@@H]2[C@@H]1COc1cccnc1)c1ccc(nn1)-c1ccccc1 |r| Show InChI InChI=1S/C23H25N5O/c1-27-13-18-14-28(15-20(18)22(27)16-29-19-8-5-11-24-12-19)23-10-9-21(25-26-23)17-6-3-2-4-7-17/h2-12,18,20,22H,13-16H2,1H3/t18-,20+,22+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Agonist activity at human recombinant alpha7 nAChR expressed in xenopus oocytes assessed as induction of Ca2+ current |
Bioorg Med Chem Lett 20: 104-7 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.023
BindingDB Entry DOI: 10.7270/Q2RF5VZQ |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Homo sapiens (Human)) | BDBM50278956
((3aR,6aS)-2-methyl-5-(6-phenylpyridazin-3-yl)octah...)Show SMILES CN1C[C@H]2CN(C[C@H]2C1)c1ccc(nn1)-c1ccccc1 |r| Show InChI InChI=1S/C17H20N4/c1-20-9-14-11-21(12-15(14)10-20)17-8-7-16(18-19-17)13-5-3-2-4-6-13/h2-8,14-15H,9-12H2,1H3/t14-,15+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 4.26E+3 | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Agonist activity at human recombinant alpha7 nAChR expressed in xenopus oocytes assessed as induction of Ca2+ current |
Bioorg Med Chem Lett 20: 104-7 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.023
BindingDB Entry DOI: 10.7270/Q2RF5VZQ |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Homo sapiens (Human)) | BDBM50305369
((1S,3aR,6aR)-2-methyl-5-(6-phenylpyridazin-3-yl)-1...)Show SMILES CN1C[C@@H]2CN(C[C@@H]2[C@H]1COc1cccnc1)c1ccc(nn1)-c1ccccc1 |r| Show InChI InChI=1S/C23H25N5O/c1-27-13-18-14-28(15-20(18)22(27)16-29-19-8-5-11-24-12-19)23-10-9-21(25-26-23)17-6-3-2-4-7-17/h2-12,18,20,22H,13-16H2,1H3/t18-,20+,22-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.29E+4 | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Agonist activity at human recombinant alpha7 nAChR expressed in xenopus oocytes assessed as induction of Ca2+ current |
Bioorg Med Chem Lett 20: 104-7 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.023
BindingDB Entry DOI: 10.7270/Q2RF5VZQ |
More data for this
Ligand-Target Pair | |
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