Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neuronal acetylcholine receptor subunit alpha-7' and Ligand = 'BDBM50534301'   

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))	BDBM50534301 (CHEMBL4474896) Show SMILES FCCOc1cccc(c1)-c1cn(nn1)[C@H]1CN2CCC1CC2 |r,wU:15.16,THB:12:15:18.19:22.21,(32.59,-29.82,;31.05,-29.81,;30.27,-31.14,;28.73,-31.13,;27.97,-29.8,;28.75,-28.46,;27.97,-27.12,;26.44,-27.12,;25.67,-28.45,;26.43,-29.79,;24.13,-28.45,;23.08,-29.58,;21.68,-28.93,;21.87,-27.4,;23.38,-27.1,;20.34,-29.68,;20.14,-31.06,;18.6,-30.4,;17.24,-31.04,;17.52,-29.64,;18.87,-29.04,;18.8,-27.4,;18.35,-28.51,)| Show InChI InChI=1S/C17H21FN4O/c18-6-9-23-15-3-1-2-14(10-15)16-11-22(20-19-16)17-12-21-7-4-13(17)5-8-21/h1-3,10-11,13,17H,4-9,12H2/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	39	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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