Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neuronal acetylcholine receptor subunit alpha-7' and Ligand = 'BDBM50259925'   

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 (Homo sapiens (Human))	BDBM50259925 (CHEMBL4077127) Show SMILES C1N=C(Nc2cc(ncn2)-n2ccnc2)NC11CN2CCC1CC2 |t:1,THB:15:16:19.20:22.23,(57.81,-6,;58.96,-4.97,;58.33,-3.56,;59.11,-2.23,;60.65,-2.23,;61.41,-3.57,;62.95,-3.57,;63.72,-2.23,;62.95,-.89,;61.41,-.9,;63.72,-4.9,;63.09,-6.31,;64.24,-7.34,;65.57,-6.57,;65.25,-5.07,;56.8,-3.72,;56.48,-5.23,;56.27,-6.61,;54.36,-5.81,;52.96,-6.73,;53.3,-5.34,;55,-4.59,;54.94,-2.95,;54.35,-4.34,)| Show InChI InChI=1S/C16H20N8/c1-4-23-5-2-12(1)16(9-23)8-18-15(22-16)21-13-7-14(20-10-19-13)24-6-3-17-11-24/h3,6-7,10-12H,1-2,4-5,8-9H2,(H2,18,19,20,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	140	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Agonist activity at alpha7 nAChR (unknown origin) expressed in HEK293 cells assessed as increase in calcium influx by Fluo-4-AM dye based FLIPR assay				Bioorg Med Chem Lett 27: 578-581 (2017) Article DOI: 10.1016/j.bmcl.2016.12.014 BindingDB Entry DOI: 10.7270/Q28P62ZN
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