Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Neuronal acetylcholine receptor subunit alpha-7' and Ligand = 'BDBM50399786'   

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))	BDBM50399786 (CHEMBL2179868) Show SMILES O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1ccc(o1)-c1ccccc1 |r,wU:3.2,wD:10.12,(22.82,-56.93,;22.83,-55.39,;21.5,-54.61,;20.16,-55.38,;18.83,-54.6,;17.5,-55.38,;17.5,-56.92,;18.83,-57.68,;18.05,-56.34,;19.42,-55.85,;20.16,-56.92,;21.49,-57.69,;21.49,-59.23,;20.15,-60,;20.15,-61.54,;21.49,-62.31,;22.82,-61.53,;22.82,-60,;24.16,-54.62,;24.17,-53.09,;25.62,-52.62,;26.52,-53.86,;25.62,-55.1,;28.05,-53.86,;28.82,-55.2,;30.36,-55.2,;31.13,-53.86,;30.35,-52.53,;28.82,-52.53,)| Show InChI InChI=1S/C24H25N3O2/c28-24(22-9-8-21(29-22)18-6-2-1-3-7-18)26-23-19-10-13-27(14-11-19)20(23)15-17-5-4-12-25-16-17/h1-9,12,16,19-20,23H,10-11,13-15H2,(H,26,28)/t20-,23+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.90	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))	BDBM50399786 (CHEMBL2179868) Show SMILES O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1ccc(o1)-c1ccccc1 |r,wU:3.2,wD:10.12,(22.82,-56.93,;22.83,-55.39,;21.5,-54.61,;20.16,-55.38,;18.83,-54.6,;17.5,-55.38,;17.5,-56.92,;18.83,-57.68,;18.05,-56.34,;19.42,-55.85,;20.16,-56.92,;21.49,-57.69,;21.49,-59.23,;20.15,-60,;20.15,-61.54,;21.49,-62.31,;22.82,-61.53,;22.82,-60,;24.16,-54.62,;24.17,-53.09,;25.62,-52.62,;26.52,-53.86,;25.62,-55.1,;28.05,-53.86,;28.82,-55.2,;30.36,-55.2,;31.13,-53.86,;30.35,-52.53,;28.82,-52.53,)| Show InChI InChI=1S/C24H25N3O2/c28-24(22-9-8-21(29-22)18-6-2-1-3-7-18)26-23-19-10-13-27(14-11-19)20(23)15-17-5-4-12-25-16-17/h1-9,12,16,19-20,23H,10-11,13-15H2,(H,26,28)/t20-,23+/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	160	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