Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neuronal acetylcholine receptor subunit alpha-7' and Ligand = 'BDBM50016212'   

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))	BDBM50016212 (CHEMBL3262158) Show SMILES Cl.Clc1ccc(NC(=O)N2CCNCC2COc2cccnc2)cc1Cl Show InChI InChI=1S/C17H18Cl2N4O2.ClH/c18-15-4-3-12(8-16(15)19)22-17(24)23-7-6-21-9-13(23)11-25-14-2-1-5-20-10-14;/h1-5,8,10,13,21H,6-7,9,11H2,(H,22,24);1H	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	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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