Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neuronal acetylcholine receptor subunit alpha-7' and Ligand = 'BDBM50206251'   

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))	BDBM50206251 (CHEMBL3951684) Show SMILES Brc1ccc2c(NC3=NC[C@@]4(CN5CCC4CC5)O3)nccn12 |r,wU:10.19,t:7,TLB:18:10:13.14:17.16,THB:9:10:13.14:17.16,(43.91,-27.94,;42.38,-28.02,;41.42,-26.82,;39.98,-27.37,;40.06,-28.91,;38.98,-30,;37.49,-29.61,;36.4,-30.7,;36.64,-32.22,;35.27,-32.91,;34.18,-31.82,;33.44,-33.1,;32.17,-32.51,;32.17,-30.6,;33.01,-29.52,;33.01,-31.14,;31.44,-31.82,;30.65,-33,;34.88,-30.45,;39.37,-31.49,;40.85,-31.89,;41.94,-30.8,;41.54,-29.31,)| Show InChI InChI=1S/C16H18BrN5O/c17-13-2-1-12-14(18-5-8-22(12)13)20-15-19-9-16(23-15)10-21-6-3-11(16)4-7-21/h1-2,5,8,11H,3-4,6-7,9-10H2,(H,18,19,20)/t16-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	91	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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