Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neuronal acetylcholine receptor subunit alpha-7' and Ligand = 'BDBM50513612'   

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))	BDBM50513612 (CHEMBL4566621) Show SMILES OCc1cccc(c1)-c1csc(c1)-c1cn(nn1)[C@H]1CN2CCC1CC2 |r,wU:18.20,(42.32,-8.33,;41.07,-7.43,;39.67,-8.06,;39.51,-9.6,;38.1,-10.22,;36.86,-9.32,;37.03,-7.78,;38.42,-7.16,;35.79,-6.88,;35.79,-5.34,;34.32,-4.87,;33.41,-6.11,;34.32,-7.36,;31.87,-6.11,;30.8,-7.3,;29.35,-6.65,;29.52,-5.06,;31.08,-4.74,;27.96,-7.44,;27.96,-9.04,;26.59,-9.83,;25.21,-9.04,;25.21,-7.44,;26.59,-6.64,;26.97,-8.02,;26.1,-8.48,)| Show InChI InChI=1S/C20H22N4OS/c25-12-14-2-1-3-16(8-14)17-9-20(26-13-17)18-10-24(22-21-18)19-11-23-6-4-15(19)5-7-23/h1-3,8-10,13,15,19,25H,4-7,11-12H2/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	13	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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