Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neuronal acetylcholine receptor subunit alpha-7' and Ligand = 'BDBM50259913'   

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))	BDBM50259913 (CHEMBL4082605) Show SMILES CN1C(Nc2nc3ccc(Cl)nc3s2)=NCC11CN2CCC1CC2 |c:15,THB:1:16:19.20:22.23,(45.22,-30.28,;46.25,-31.42,;47.77,-31.26,;48.55,-29.93,;50.08,-29.93,;50.99,-31.17,;52.45,-30.69,;53.78,-31.46,;55.12,-30.69,;55.12,-29.14,;56.45,-28.37,;53.78,-28.38,;52.45,-29.15,;50.99,-28.68,;48.4,-32.67,;47.25,-33.69,;45.93,-32.92,;45.72,-34.31,;43.8,-33.5,;42.4,-34.43,;42.75,-33.04,;44.44,-32.28,;44.38,-30.65,;43.8,-32.03,)| Show InChI InChI=1S/C16H19ClN6S/c1-22-14(18-8-16(22)9-23-6-4-10(16)5-7-23)21-15-19-11-2-3-12(17)20-13(11)24-15/h2-3,10H,4-9H2,1H3,(H,18,19,21)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	550	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Agonist activity at alpha7 nAChR (unknown origin) expressed in HEK293 cells assessed as increase in calcium influx by Fluo-4-AM dye based FLIPR assay				Bioorg Med Chem Lett 27: 578-581 (2017) Article DOI: 10.1016/j.bmcl.2016.12.014 BindingDB Entry DOI: 10.7270/Q28P62ZN
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