Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neuronal acetylcholine receptor subunit alpha-3/beta-4' and Ligand = 'BDBM50246836'   

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-3/beta-4 (Rattus norvegicus (Rat))	BDBM50246836 (CHEMBL4102525) Show SMILES N=C1NC[C@H](Cc2ccccc2)N1CCc1cccnc1 |r| Show InChI InChI=1S/C17H20N4/c18-17-20-13-16(11-14-5-2-1-3-6-14)21(17)10-8-15-7-4-9-19-12-15/h1-7,9,12,16H,8,10-11,13H2,(H2,18,20)/t16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.23E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Torrey Pines Institute for Molecular Studies Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from rat alpha3beta4 nAChR expressed in HEK cell membranes after 2 hrs				J Med Chem 60: 10092-10104 (2017) Article DOI: 10.1021/acs.jmedchem.7b01250 BindingDB Entry DOI: 10.7270/Q2PG1V5M
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