Found 5 hits Enz. Inhib. hit(s) with Target = 'Neuronal acetylcholine receptor subunit alpha-7' and Ligand = 'BDBM50393255' 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
(Homo sapiens (Human)) | BDBM50393255
(CHEMBL2151572)Show SMILES Clc1cccc2cc(sc12)C(=O)N[C@H]1CN2CCC1CC2 |r,wU:13.14,(9.9,-24.54,;9.14,-23.2,;9.91,-21.88,;9.15,-20.54,;7.62,-20.54,;6.85,-21.86,;5.34,-22.17,;5.18,-23.71,;6.58,-24.33,;7.61,-23.19,;3.84,-24.47,;3.84,-26.01,;2.51,-23.7,;1.17,-24.46,;1.17,-26,;-.16,-26.76,;-1.49,-26,;-1.49,-24.46,;-.16,-23.68,;.6,-25.01,;-.89,-25.41,)| Show InChI InChI=1S/C16H17ClN2OS/c17-12-3-1-2-11-8-14(21-15(11)12)16(20)18-13-9-19-6-4-10(13)5-7-19/h1-3,8,10,13H,4-7,9H2,(H,18,20)/t13-/m0/s1 | PDB
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UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 4.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Targacept, Inc
Curated by ChEMBL
| Assay Description Binding affinity to human alpha7 nAchR |
J Med Chem 54: 7943-61 (2011)
Article DOI: 10.1021/jm2007672 BindingDB Entry DOI: 10.7270/Q29P32QP |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Neuronal acetylcholine receptor subunit alpha-7
(Homo sapiens (Human)) | BDBM50393255
(CHEMBL2151572)Show SMILES Clc1cccc2cc(sc12)C(=O)N[C@H]1CN2CCC1CC2 |r,wU:13.14,(9.9,-24.54,;9.14,-23.2,;9.91,-21.88,;9.15,-20.54,;7.62,-20.54,;6.85,-21.86,;5.34,-22.17,;5.18,-23.71,;6.58,-24.33,;7.61,-23.19,;3.84,-24.47,;3.84,-26.01,;2.51,-23.7,;1.17,-24.46,;1.17,-26,;-.16,-26.76,;-1.49,-26,;-1.49,-24.46,;-.16,-23.68,;.6,-25.01,;-.89,-25.41,)| Show InChI InChI=1S/C16H17ClN2OS/c17-12-3-1-2-11-8-14(21-15(11)12)16(20)18-13-9-19-6-4-10(13)5-7-19/h1-3,8,10,13H,4-7,9H2,(H,18,20)/t13-/m0/s1 | PDB
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UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 9.98 | 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 form human alpha7 nAchR expressed in HEK293 cells |
J Med Chem 55: 9793-809 (2012)
Article DOI: 10.1021/jm301048a BindingDB Entry DOI: 10.7270/Q2J67J2T |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Neuronal acetylcholine receptor subunit alpha-7
(Homo sapiens (Human)) | BDBM50393255
(CHEMBL2151572)Show SMILES Clc1cccc2cc(sc12)C(=O)N[C@H]1CN2CCC1CC2 |r,wU:13.14,(9.9,-24.54,;9.14,-23.2,;9.91,-21.88,;9.15,-20.54,;7.62,-20.54,;6.85,-21.86,;5.34,-22.17,;5.18,-23.71,;6.58,-24.33,;7.61,-23.19,;3.84,-24.47,;3.84,-26.01,;2.51,-23.7,;1.17,-24.46,;1.17,-26,;-.16,-26.76,;-1.49,-26,;-1.49,-24.46,;-.16,-23.68,;.6,-25.01,;-.89,-25.41,)| Show InChI InChI=1S/C16H17ClN2OS/c17-12-3-1-2-11-8-14(21-15(11)12)16(20)18-13-9-19-6-4-10(13)5-7-19/h1-3,8,10,13H,4-7,9H2,(H,18,20)/t13-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | n/a | n/a | 250 | n/a | n/a | n/a | n/a |
Peking University
Curated by ChEMBL
| Assay Description Agonist activity at human alpha7 nAChR expressed in Xenopus laevis oocytes assessed as induction of channel current at -90 mV holding potential by tw... |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111618 BindingDB Entry DOI: 10.7270/Q2MG7SZR |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Neuronal acetylcholine receptor subunit alpha-7
(Homo sapiens (Human)) | BDBM50393255
(CHEMBL2151572)Show SMILES Clc1cccc2cc(sc12)C(=O)N[C@H]1CN2CCC1CC2 |r,wU:13.14,(9.9,-24.54,;9.14,-23.2,;9.91,-21.88,;9.15,-20.54,;7.62,-20.54,;6.85,-21.86,;5.34,-22.17,;5.18,-23.71,;6.58,-24.33,;7.61,-23.19,;3.84,-24.47,;3.84,-26.01,;2.51,-23.7,;1.17,-24.46,;1.17,-26,;-.16,-26.76,;-1.49,-26,;-1.49,-24.46,;-.16,-23.68,;.6,-25.01,;-.89,-25.41,)| Show InChI InChI=1S/C16H17ClN2OS/c17-12-3-1-2-11-8-14(21-15(11)12)16(20)18-13-9-19-6-4-10(13)5-7-19/h1-3,8,10,13H,4-7,9H2,(H,18,20)/t13-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | n/a | n/a | 390 | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description Partial agonist activity at human alpha7 nAChR expressed in Xenopus laevis oocytes by voltage clamp electrophysiological method |
Eur J Med Chem 160: 37-48 (2018)
Article DOI: 10.1016/j.ejmech.2018.09.073 BindingDB Entry DOI: 10.7270/Q2QV3QXP |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Neuronal acetylcholine receptor subunit alpha-7
(Homo sapiens (Human)) | BDBM50393255
(CHEMBL2151572)Show SMILES Clc1cccc2cc(sc12)C(=O)N[C@H]1CN2CCC1CC2 |r,wU:13.14,(9.9,-24.54,;9.14,-23.2,;9.91,-21.88,;9.15,-20.54,;7.62,-20.54,;6.85,-21.86,;5.34,-22.17,;5.18,-23.71,;6.58,-24.33,;7.61,-23.19,;3.84,-24.47,;3.84,-26.01,;2.51,-23.7,;1.17,-24.46,;1.17,-26,;-.16,-26.76,;-1.49,-26,;-1.49,-24.46,;-.16,-23.68,;.6,-25.01,;-.89,-25.41,)| Show InChI InChI=1S/C16H17ClN2OS/c17-12-3-1-2-11-8-14(21-15(11)12)16(20)18-13-9-19-6-4-10(13)5-7-19/h1-3,8,10,13H,4-7,9H2,(H,18,20)/t13-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | n/a | n/a | 340 | n/a | n/a | n/a | n/a |
Peking University
Curated by ChEMBL
| Assay Description Displacement of [3H]-MLA from human alpha7 nAChR expressed in xenopus oocytes |
Eur J Med Chem 115: 94-108 (2016)
Article DOI: 10.1016/j.ejmech.2016.03.016 BindingDB Entry DOI: 10.7270/Q2W37Z6N |
More data for this Ligand-Target Pair | 3D Structure (crystal) |