Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neuronal acetylcholine receptor subunit alpha-4' and Ligand = 'BDBM91598'   

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-4 (Homo sapiens (Human))	BDBM91598 (alpha7 agonists 2) Show SMILES Cn1c2ccccc2c(OCc2cn(CC[N+]3(C)CCCCC3)nn2)cc1=O Show InChI InChI=1S/C21H28N5O2/c1-24-19-9-5-4-8-18(19)20(14-21(24)27)28-16-17-15-25(23-22-17)10-13-26(2)11-6-3-7-12-26/h4-5,8-9,14-15H,3,6-7,10-13,16H2,1-2H3/q+1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.20E+4	-29.2	n/a	n/a	n/a	n/a	n/a	7.4	37
University of California, San Diego					Assay Description Assay Description 2 Assays used to generate Ki or EC50 values. 1) SPA Assay - Quick screen binding assays were performed using 100 ?l of 0.2 mg/ml an...				Taylor Research Group (2014) Article DOI: 10.1124/mol.112.080291 BindingDB Entry DOI: 10.7270/Q2805163
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