Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neuronal acetylcholine receptor subunit alpha-7' and Ligand = 'BDBM50513615'   

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 (Rattus norvegicus (Rat))	BDBM50513615 (CHEMBL4559290) Show SMILES OCc1cccc(c1)-c1ccc(cc1)-c1cn(nn1)[C@H]1CN2CCC1CC2 |r,wU:19.21,(87.15,-3.96,;85.61,-3.97,;84.85,-5.31,;85.63,-6.64,;84.86,-7.98,;83.32,-7.98,;82.55,-6.64,;83.31,-5.31,;81.02,-6.65,;80.25,-7.98,;78.71,-7.98,;77.94,-6.64,;78.7,-5.31,;80.24,-5.31,;76.4,-6.64,;75.34,-7.83,;73.88,-7.18,;74.05,-5.59,;75.61,-5.27,;72.49,-7.97,;72.49,-9.56,;71.12,-10.36,;69.74,-9.56,;69.74,-7.97,;71.12,-7.17,;71.51,-8.55,;70.64,-9.01,)| Show InChI InChI=1S/C22H24N4O/c27-15-16-2-1-3-20(12-16)17-4-6-18(7-5-17)21-13-26(24-23-21)22-14-25-10-8-19(22)9-11-25/h1-7,12-13,19,22,27H,8-11,14-15H2/t22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ d'Orl£ans Curated by ChEMBL					Assay Description Displacement of [125I]-alpha-bungarotoxin from alpha7 nAChR in Wistar rat brain membrane incubated for 3 hrs by gamma counting analysis				Eur J Med Chem 179: 449-469 (2019) Article DOI: 10.1016/j.ejmech.2019.06.049 BindingDB Entry DOI: 10.7270/Q2R49V3X
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