Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neuronal acetylcholine receptor subunit alpha-4/beta-2' and Ligand = 'BDBM50270372'   

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 (Rattus norvegicus (Rat))	BDBM50270372 (CHEMBL4104998) Show SMILES [I-].COc1cc2C3CCC[N+]3(C)CCc2cc1Oc1ccccc1 Show InChI InChI=1S/C20H24NO2.HI/c1-21-11-6-9-18(21)17-14-19(22-2)20(13-15(17)10-12-21)23-16-7-4-3-5-8-16;/h3-5,7-8,13-14,18H,6,9-12H2,1-2H3;1H/q+1;/p-1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from rat alpha4beta2 nAChR expressed in HEK293 cell membranes after 4 hrs by scintillation counting method				J Med Chem 61: 1719-1729 (2018) Article DOI: 10.1021/acs.jmedchem.7b01895 BindingDB Entry DOI: 10.7270/Q2668GPB
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