null

SMILES: Clc1ccc2nc(NC3=NCC4(CN5CCC4CC5)N3)sc2n1

InChI Key: InChIKey=HQEKGUANNJMHFT-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50259916   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM50259916 (CHEMBL4067446) Show SMILES Clc1ccc2nc(NC3=NCC4(CN5CCC4CC5)N3)sc2n1 |t:8,THB:19:11:14.15:17.18,(67.08,-18.29,;65.75,-19.06,;65.75,-20.61,;64.42,-21.38,;63.09,-20.61,;61.62,-21.08,;60.72,-19.84,;59.17,-19.84,;58.4,-21.18,;59.03,-22.58,;57.88,-23.61,;56.55,-22.84,;56.34,-24.23,;54.42,-23.42,;53.02,-24.35,;53.37,-22.95,;55.07,-22.2,;55,-20.56,;54.42,-21.95,;56.87,-21.34,;61.62,-18.59,;63.09,-19.07,;64.41,-18.3,)| Show InChI InChI=1S/C15H17ClN6S/c16-11-2-1-10-12(19-11)23-14(18-10)20-13-17-7-15(21-13)8-22-5-3-9(15)4-6-22/h1-2,9H,3-8H2,(H2,17,18,20,21)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	56	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
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50259916 (CHEMBL4067446) Show SMILES Clc1ccc2nc(NC3=NCC4(CN5CCC4CC5)N3)sc2n1 |t:8,THB:19:11:14.15:17.18,(67.08,-18.29,;65.75,-19.06,;65.75,-20.61,;64.42,-21.38,;63.09,-20.61,;61.62,-21.08,;60.72,-19.84,;59.17,-19.84,;58.4,-21.18,;59.03,-22.58,;57.88,-23.61,;56.55,-22.84,;56.34,-24.23,;54.42,-23.42,;53.02,-24.35,;53.37,-22.95,;55.07,-22.2,;55,-20.56,;54.42,-21.95,;56.87,-21.34,;61.62,-18.59,;63.09,-19.07,;64.41,-18.3,)| Show InChI InChI=1S/C15H17ClN6S/c16-11-2-1-10-12(19-11)23-14(18-10)20-13-17-7-15(21-13)8-22-5-3-9(15)4-6-22/h1-2,9H,3-8H2,(H2,17,18,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Antagonist activity at 5-HT3A receptor (unknown origin) assessed as decrease 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