Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neuronal acetylcholine receptor subunit alpha-7' and Ligand = 'BDBM50206242'   

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))	BDBM50206242 (CHEMBL3980345) Show SMILES Brc1cc2c(NC3=NC[C@@]4(CN5CCC4CC5)O3)ncnn2c1 |r,wU:9.18,t:6,TLB:17:9:12.13:16.15,THB:8:9:12.13:16.15,(28.03,-.84,;27.63,-2.32,;26.2,-2.87,;26.28,-4.41,;25.2,-5.5,;23.71,-5.11,;22.62,-6.2,;22.86,-7.72,;21.49,-8.41,;20.4,-7.32,;19.66,-8.6,;18.39,-8.01,;18.39,-6.1,;19.22,-5.02,;19.22,-6.64,;17.66,-7.32,;16.87,-8.5,;21.1,-5.95,;25.59,-6.99,;27.07,-7.39,;28.16,-6.3,;27.76,-4.81,;28.6,-3.52,)| Show InChI InChI=1S/C15H17BrN6O/c16-11-5-12-13(18-9-19-22(12)6-11)20-14-17-7-15(23-14)8-21-3-1-10(15)2-4-21/h5-6,9-10H,1-4,7-8H2,(H,17,18,19,20)/t15-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	250	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Agonist activity at alpha7 nACh receptor (unknown origin) expressed in HEK293 cells assessed as increase in Ca2+ flux by Fluo-4-AM dye based FLIPR as...				ACS Med Chem Lett 8: 133-137 (2017) Article DOI: 10.1021/acsmedchemlett.6b00471 BindingDB Entry DOI: 10.7270/Q2765HBF
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