Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neuronal acetylcholine receptor subunit alpha-7' and Ligand = 'BDBM139036'   

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))	BDBM139036 (US8884017, 77) Show SMILES COc1cccc2cc(sc12)C(=O)N[C@@H]1CN2CCC1CC2 |r,wD:14.15,(6.48,-.87,;4.94,-.87,;4.17,.47,;4.94,1.8,;4.17,3.13,;2.63,3.13,;1.86,1.8,;.35,1.48,;.19,-.05,;1.6,-.68,;2.63,.47,;-1.14,-.82,;-1.14,-2.36,;-2.48,-.05,;-3.81,-.82,;-3.81,-2.36,;-5.14,-3.13,;-6.48,-2.36,;-6.48,-.82,;-5.14,-.05,;-4.37,-1.39,;-5.86,-1.78,)| Show InChI InChI=1S/C17H20N2O2S/c1-21-14-4-2-3-12-9-15(22-16(12)14)17(20)18-13-10-19-7-5-11(13)6-8-19/h2-4,9,11,13H,5-8,10H2,1H3,(H,18,20)/t13-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	20	-40.8	n/a	n/a	n/a	n/a	n/a	7.4	4
Bayer Intellectual Property GmbH US Patent					Assay Description The [3H]-methyllycaconitine binding assay is a modification of the method described by Davies et al. in Neuropharmacol. 1999, 38, 679-690.Rat brain t...				US Patent US8884017 (2014) BindingDB Entry DOI: 10.7270/Q2MK6BK3
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