Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neuronal acetylcholine receptor subunit alpha-7' and Ligand = 'BDBM50534285'   

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))	BDBM50534285 (CHEMBL4453215) Show SMILES FCCCOc1cccc(c1)-c1cn(nn1)C1CN2CCC1CC2 |THB:13:16:19.20:23.22,(16.91,-37.12,;16.14,-38.45,;14.6,-38.44,;13.82,-39.77,;12.28,-39.76,;11.52,-38.43,;12.29,-37.09,;11.52,-35.75,;9.99,-35.75,;9.22,-37.08,;9.98,-38.42,;7.68,-37.08,;6.63,-38.21,;5.23,-37.56,;5.42,-36.03,;6.93,-35.73,;3.89,-38.31,;3.69,-39.69,;2.15,-39.04,;.79,-39.67,;1.07,-38.27,;2.41,-37.67,;2.35,-36.03,;1.9,-37.14,)| Show InChI InChI=1S/C18H23FN4O/c19-7-2-10-24-16-4-1-3-15(11-16)17-12-23(21-20-17)18-13-22-8-5-14(18)6-9-22/h1,3-4,11-12,14,18H,2,5-10,13H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mahidol University Curated by ChEMBL					Assay Description Displacement of [3H]MLA from human alpha7 nAChR transfected in human SH-SY5Y cell membranes after 120 mins by liquid scintillation counting				ACS Med Chem Lett 7: 890-895 (2016) Article DOI: 10.1021/acsmedchemlett.6b00146 BindingDB Entry DOI: 10.7270/Q2ZW1QDQ
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