Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neuronal acetylcholine receptor subunit alpha-7' and Ligand = 'BDBM50399296'   

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))	BDBM50399296 (CHEMBL2180833) Show SMILES COc1ccc(cc1)-c1cc(NC(=O)CCCN2CCCN(CC2)C(C)=O)[nH]n1 Show InChI InChI=1S/C21H29N5O3/c1-16(27)26-12-4-11-25(13-14-26)10-3-5-21(28)22-20-15-19(23-24-20)17-6-8-18(29-2)9-7-17/h6-9,15H,3-5,10-14H2,1-2H3,(H2,22,23,24,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	912	n/a	n/a	n/a	n/a
Siena Biotech SpA Curated by ChEMBL					Assay Description Agonist activity at rat alpha7 nAchR expressed in rat GH4C1 cells assessed as stimulation of calcium flux by FLIPR				J Med Chem 55: 10277-81 (2012) Article DOI: 10.1021/jm3013568 BindingDB Entry DOI: 10.7270/Q2DJ5GRD
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