Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neuronal acetylcholine receptor subunit alpha-4/beta-4' and Ligand = 'BDBM50270397'   

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-4 (Rattus norvegicus (Rat))	BDBM50270397 (CHEMBL4070098) Show SMILES [I-].[H][C@]12CCC[N+]1(C)CCc1cc3OCOc3cc21 |r| Show InChI InChI=1S/C14H18NO2.HI/c1-15-5-2-3-12(15)11-8-14-13(16-9-17-14)7-10(11)4-6-15;/h7-8,12H,2-6,9H2,1H3;1H/q+1;/p-1/t12-,15?;/m1./s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.70E+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 alpha4beta4 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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