Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Neuronal acetylcholine receptor subunit alpha-7' and Ligand = 'BDBM50259936'   

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))	BDBM50259936 (CHEMBL4077622) Show SMILES Clc1cnc(NC2=NCC3(CN4CCC3CC4)N2)nc1 |t:6,THB:17:9:12.13:15.16,(25.28,-3.2,;23.74,-3.2,;22.97,-4.53,;21.43,-4.53,;20.67,-3.2,;19.13,-3.19,;18.36,-4.53,;18.98,-5.93,;17.84,-6.96,;16.5,-6.19,;16.3,-7.58,;14.38,-6.77,;12.98,-7.7,;13.33,-6.3,;15.02,-5.55,;14.96,-3.91,;14.37,-5.3,;16.83,-4.69,;21.43,-1.86,;22.97,-1.86,)| Show InChI InChI=1S/C13H17ClN6/c14-10-5-15-11(16-6-10)18-12-17-7-13(19-12)8-20-3-1-9(13)2-4-20/h5-6,9H,1-4,7-8H2,(H2,15,16,17,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Agonist activity at rat alpha7 nAChR expressed in HEK293 cells co-expressing human RIC-3 assessed as area under current curve at holding potential of...				Bioorg Med Chem Lett 27: 578-581 (2017) Article DOI: 10.1016/j.bmcl.2016.12.014 BindingDB Entry DOI: 10.7270/Q28P62ZN
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50259936 (CHEMBL4077622) Show SMILES Clc1cnc(NC2=NCC3(CN4CCC3CC4)N2)nc1 |t:6,THB:17:9:12.13:15.16,(25.28,-3.2,;23.74,-3.2,;22.97,-4.53,;21.43,-4.53,;20.67,-3.2,;19.13,-3.19,;18.36,-4.53,;18.98,-5.93,;17.84,-6.96,;16.5,-6.19,;16.3,-7.58,;14.38,-6.77,;12.98,-7.7,;13.33,-6.3,;15.02,-5.55,;14.96,-3.91,;14.37,-5.3,;16.83,-4.69,;21.43,-1.86,;22.97,-1.86,)| Show InChI InChI=1S/C13H17ClN6/c14-10-5-15-11(16-6-10)18-12-17-7-13(19-12)8-20-3-1-9(13)2-4-20/h5-6,9H,1-4,7-8H2,(H2,15,16,17,18,19)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	290	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
					More data for this Ligand-Target Pair