Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Neuronal acetylcholine receptor subunit alpha-4/beta-2' and Ligand = 'BDBM50433566'   

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-4/beta-2 (Homo sapiens (Human))	BDBM50433566 (CHEMBL2381566) Show SMILES CN1CCC[C@H]1COC(=O)c1ccc(OCc2ccccc2)cc1 |r| Show InChI InChI=1S/C20H23NO3/c1-21-13-5-8-18(21)15-24-20(22)17-9-11-19(12-10-17)23-14-16-6-3-2-4-7-16/h2-4,6-7,9-12,18H,5,8,13-15H2,1H3/t18-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Chile Curated by ChEMBL					Assay Description Displacement of [3H]cytisine from human alpha4beta2 nAChR overexpressed in human SHEP cells after 75 mins by liquid scintillation spectrometric analy...				Bioorg Med Chem 21: 2687-94 (2013) Article DOI: 10.1016/j.bmc.2013.03.024 BindingDB Entry DOI: 10.7270/Q2MW2JJQ
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50433566 (CHEMBL2381566) Show SMILES CN1CCC[C@H]1COC(=O)c1ccc(OCc2ccccc2)cc1 |r| Show InChI InChI=1S/C20H23NO3/c1-21-13-5-8-18(21)15-24-20(22)17-9-11-19(12-10-17)23-14-16-6-3-2-4-7-16/h2-4,6-7,9-12,18H,5,8,13-15H2,1H3/t18-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
University of Chile Curated by ChEMBL					Assay Description Displacement of [3H]cytisine from human alpha4beta2 nAChR overexpressed in human SHEP cells after 75 mins by liquid scintillation spectrometric analy...				Bioorg Med Chem 21: 2687-94 (2013) Article DOI: 10.1016/j.bmc.2013.03.024 BindingDB Entry DOI: 10.7270/Q2MW2JJQ
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50433566 (CHEMBL2381566) Show SMILES CN1CCC[C@H]1COC(=O)c1ccc(OCc2ccccc2)cc1 |r| Show InChI InChI=1S/C20H23NO3/c1-21-13-5-8-18(21)15-24-20(22)17-9-11-19(12-10-17)23-14-16-6-3-2-4-7-16/h2-4,6-7,9-12,18H,5,8,13-15H2,1H3/t18-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Chile Curated by ChEMBL					Assay Description Antagonist activity at (alpha4beta2)2alpha4 nAChR (unknown origin) expressed in Xenopus oocytes assessed as inhibition of acetylcholine-induced curre...				Bioorg Med Chem 21: 2687-94 (2013) Article DOI: 10.1016/j.bmc.2013.03.024 BindingDB Entry DOI: 10.7270/Q2MW2JJQ
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50433566 (CHEMBL2381566) Show SMILES CN1CCC[C@H]1COC(=O)c1ccc(OCc2ccccc2)cc1 |r| Show InChI InChI=1S/C20H23NO3/c1-21-13-5-8-18(21)15-24-20(22)17-9-11-19(12-10-17)23-14-16-6-3-2-4-7-16/h2-4,6-7,9-12,18H,5,8,13-15H2,1H3/t18-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.58E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Chile Curated by ChEMBL					Assay Description Antagonist activity at (alpha4beta2)2beta2 nAChR (unknown origin) expressed in Xenopus oocytes assessed as inhibition of acetylcholine-induced curren...				Bioorg Med Chem 21: 2687-94 (2013) Article DOI: 10.1016/j.bmc.2013.03.024 BindingDB Entry DOI: 10.7270/Q2MW2JJQ
					More data for this Ligand-Target Pair