Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neuronal acetylcholine receptor subunit alpha-7' and Ligand = 'BDBM50259926'   

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))	BDBM50259926 (CHEMBL4066441) Show SMILES COc1cc(NC2=NCC3(CN4CCC3CC4)N2)ncn1 |t:6,THB:17:9:12.13:15.16,(51.78,-5.03,;50.24,-5.03,;49.47,-3.69,;47.93,-3.69,;47.17,-2.35,;45.62,-2.35,;44.85,-3.69,;45.48,-5.09,;44.33,-6.12,;43,-5.35,;42.79,-6.74,;40.87,-5.93,;39.47,-6.86,;39.81,-5.46,;41.51,-4.71,;41.45,-3.07,;40.86,-4.46,;43.32,-3.84,;47.93,-1.02,;49.47,-1.01,;50.25,-2.35,)| Show InChI InChI=1S/C14H20N6O/c1-21-12-6-11(16-9-17-12)18-13-15-7-14(19-13)8-20-4-2-10(14)3-5-20/h6,9-10H,2-5,7-8H2,1H3,(H2,15,16,17,18,19)	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	1.30E+3	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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