Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholine receptor subunit alpha/beta/delta/epsilon' and Ligand = 'BDBM50232612'   

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
Acetylcholine receptor subunit alpha/beta/delta/epsilon (Homo sapiens (Human))	BDBM50232612 (CHEMBL4098850) Show SMILES C1N=C(Nc2cc3cccnc3cn2)O[C@]11CN2CCC1CC2 |r,wU:15.16,t:1,TLB:14:15:19.18:21.22,THB:0:15:19.18:21.22,(16.97,-7.96,;18.11,-6.94,;17.49,-5.53,;18.26,-4.19,;19.81,-4.2,;20.57,-2.86,;22.11,-2.86,;22.87,-1.52,;24.41,-1.52,;25.19,-2.86,;24.42,-4.2,;22.88,-4.2,;22.11,-5.53,;20.57,-5.53,;15.96,-5.69,;15.64,-7.19,;15.62,-8.6,;13.46,-8.07,;13.47,-6.27,;14.04,-4.99,;14.11,-6.52,;12.71,-7.28,;12.39,-8.83,)| Show InChI InChI=1S/C17H19N5O/c1-2-12-8-15(19-9-14(12)18-5-1)21-16-20-10-17(23-16)11-22-6-3-13(17)4-7-22/h1-2,5,8-9,13H,3-4,6-7,10-11H2,(H,19,20,21)/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Agonist activity at alpha1beta1deltaepsilon nAChR (unknown origin) assessed as increase in calcium influx measured for 2 mins by Fluo-4-AM dye based ...				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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