Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neuronal acetylcholine receptor subunit alpha-7' and Ligand = 'BDBM50016196'   

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))	BDBM50016196 (CHEMBL3262142) Show SMILES Cl.Fc1ccc2nc(sc2c1)N1CCNCC1COc1cccnc1 Show InChI InChI=1S/C17H17FN4OS.ClH/c18-12-3-4-15-16(8-12)24-17(21-15)22-7-6-20-9-13(22)11-23-14-2-1-5-19-10-14;/h1-5,8,10,13,20H,6-7,9,11H2;1H	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	132	n/a	n/a	n/a	n/a	n/a	n/a
Critical Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of biotinylated alpha-bungarotoxin binding to alpha7 nAChR in rat PC12 cells by FACS analysis				J Med Chem 57: 3966-83 (2014) Article DOI: 10.1021/jm5004599 BindingDB Entry DOI: 10.7270/Q2CV4K8S
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