Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neuronal acetylcholine receptor subunit alpha-7' and Ligand = 'BDBM50259944'   

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))	BDBM50259944 (CHEMBL4076554) Show SMILES C1N=C(Nc2cnc3ccccc3n2)NC11CN2CCC1CC2 |t:1,THB:14:15:18.19:21.22,(5.8,-16.68,;6.95,-15.65,;6.32,-14.24,;7.09,-12.91,;8.64,-12.91,;9.4,-14.25,;10.94,-14.25,;11.71,-12.91,;13.25,-12.91,;14.02,-11.58,;13.24,-10.23,;11.7,-10.24,;10.94,-11.57,;9.4,-11.58,;4.79,-14.4,;4.47,-15.91,;4.26,-17.29,;2.34,-16.49,;.94,-17.41,;1.29,-16.02,;2.99,-15.26,;2.92,-13.63,;2.34,-15.02,)| Show InChI InChI=1S/C17H20N6/c1-2-4-14-13(3-1)18-9-15(20-14)21-16-19-10-17(22-16)11-23-7-5-12(17)6-8-23/h1-4,9,12H,5-8,10-11H2,(H2,19,20,21,22)	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	490	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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