Found 2 hits Enz. Inhib. hit(s) with Target = 'Neuronal acetylcholine receptor subunit alpha-7' and Ligand = 'BDBM50399777' 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)) | BDBM50399777
(CHEMBL2179877)Show SMILES O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1ccc(s1)-c1ccccn1 |r,wU:3.2,wD:10.12,(17.82,-36.07,;17.82,-34.53,;16.49,-33.76,;15.15,-34.53,;13.82,-33.75,;12.49,-34.53,;12.49,-36.07,;13.82,-36.83,;13.04,-35.49,;14.42,-34.99,;15.15,-36.07,;16.48,-36.84,;16.48,-38.38,;15.15,-39.14,;15.14,-40.68,;16.48,-41.46,;17.82,-40.68,;17.81,-39.14,;18.97,-33.5,;18.98,-31.97,;20.44,-31.5,;21.34,-32.75,;20.43,-33.98,;22.88,-32.76,;23.65,-31.43,;25.18,-31.43,;25.95,-32.77,;25.18,-34.1,;23.64,-34.1,)| Show InChI InChI=1S/C23H24N4OS/c28-23(21-7-6-20(29-21)18-5-1-2-11-25-18)26-22-17-8-12-27(13-9-17)19(22)14-16-4-3-10-24-15-16/h1-7,10-11,15,17,19,22H,8-9,12-14H2,(H,26,28)/t19-,22+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.900 | 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 | |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50399777
(CHEMBL2179877)Show SMILES O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1ccc(s1)-c1ccccn1 |r,wU:3.2,wD:10.12,(17.82,-36.07,;17.82,-34.53,;16.49,-33.76,;15.15,-34.53,;13.82,-33.75,;12.49,-34.53,;12.49,-36.07,;13.82,-36.83,;13.04,-35.49,;14.42,-34.99,;15.15,-36.07,;16.48,-36.84,;16.48,-38.38,;15.15,-39.14,;15.14,-40.68,;16.48,-41.46,;17.82,-40.68,;17.81,-39.14,;18.97,-33.5,;18.98,-31.97,;20.44,-31.5,;21.34,-32.75,;20.43,-33.98,;22.88,-32.76,;23.65,-31.43,;25.18,-31.43,;25.95,-32.77,;25.18,-34.1,;23.64,-34.1,)| Show InChI InChI=1S/C23H24N4OS/c28-23(21-7-6-20(29-21)18-5-1-2-11-25-18)26-22-17-8-12-27(13-9-17)19(22)14-16-4-3-10-24-15-16/h1-7,10-11,15,17,19,22H,8-9,12-14H2,(H,26,28)/t19-,22+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 30 | n/a | n/a | n/a | n/a |
Targacept, Inc.
Curated by ChEMBL
| Assay Description Agonist activity at rat alpha7 nAchR expressed in GH4C1 cells by whole cell patch clamp assay |
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 | |