Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neuronal acetylcholine receptor subunit alpha-7' and Ligand = 'BDBM50513581'   

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))	BDBM50513581 (CHEMBL4471476) Show SMILES FCc1ccc(cc1)-c1ccc(s1)-c1cn(nn1)[C@H]1CN2CCC1CC2 |r,wU:18.20,(19.27,-35.32,;17.87,-34.7,;16.63,-35.6,;16.79,-37.14,;15.55,-38.05,;14.15,-37.41,;13.98,-35.89,;15.21,-34.98,;12.9,-38.32,;12.9,-39.85,;11.44,-40.33,;10.53,-39.09,;11.44,-37.85,;8.99,-39.09,;7.93,-40.27,;6.48,-39.62,;6.65,-38.04,;8.2,-37.72,;5.09,-40.41,;5.09,-42,;3.72,-42.79,;2.35,-42,;2.35,-40.41,;3.72,-39.61,;4.11,-40.99,;3.25,-41.45,)| Show InChI InChI=1S/C20H21FN4S/c21-11-14-1-3-16(4-2-14)19-5-6-20(26-19)17-12-25(23-22-17)18-13-24-9-7-15(18)8-10-24/h1-6,12,15,18H,7-11,13H2/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5	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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