Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neuronal acetylcholine receptor subunit alpha-7' and Ligand = 'BDBM50232602'   

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))	BDBM50232602 (CHEMBL4097654) Show SMILES Clc1cc(NC2=NC[C@@]3(CN4CCC3CC4)O2)ncn1 |r,wU:8.17,t:5,TLB:16:8:12.11:14.15,THB:7:8:12.11:14.15,(45.28,-41.37,;44.51,-42.71,;42.97,-42.71,;42.21,-44.05,;40.67,-44.05,;39.89,-45.38,;40.52,-46.79,;39.37,-47.82,;38.04,-47.05,;38.03,-48.46,;35.86,-47.93,;35.87,-46.12,;36.44,-44.85,;36.51,-46.38,;35.11,-47.13,;34.79,-48.69,;38.36,-45.54,;42.97,-45.39,;44.52,-45.39,;45.28,-44.05,)| Show InChI InChI=1S/C13H16ClN5O/c14-10-5-11(17-8-16-10)18-12-15-6-13(20-12)7-19-3-1-9(13)2-4-19/h5,8-9H,1-4,6-7H2,(H,15,16,17,18)/t13-/m0/s1	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	470	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Agonist activity at rat alpha7 nAChR expressed in HEK293 cells assessed as increase in calcium influx measured for 2 mins by Fluo-4-AM dye based FLIP...				Bioorg Med Chem Lett 27: 1261-1266 (2017) Article DOI: 10.1016/j.bmcl.2017.01.058 BindingDB Entry DOI: 10.7270/Q2FJ2K1D
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