null

SMILES: CC(C)(C)C1CCC(CN2[C@H](Cc3ccccc3)CN(CCCC[C@@H]3CN=C(N)N3CCc3cccnc3)C2=N)CC1

InChI Key: InChIKey=XDQXQLGRBQNRHS-LYBMHKGZSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50446506   

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-3/beta-4 (Rattus norvegicus (Rat))	BDBM50446506 (CHEMBL3110046) Show SMILES CC(C)(C)C1CCC(CN2[C@H](Cc3ccccc3)CN(CCCC[C@@H]3CN=C(N)N3CCc3cccnc3)C2=N)CC1 |r,wD:24.24,10.10,t:27,(35.76,-20.38,;35.05,-21.75,;33.51,-21.81,;34.26,-20.4,;35.87,-23.05,;37.4,-22.99,;38.22,-24.28,;37.5,-25.64,;38.33,-26.94,;37.65,-28.33,;38.57,-29.56,;40.11,-29.53,;40.91,-30.85,;40.15,-32.19,;40.95,-33.51,;42.49,-33.49,;43.23,-32.13,;42.44,-30.82,;37.69,-30.82,;36.22,-30.36,;34.88,-31.12,;33.55,-30.34,;32.2,-31.09,;30.88,-30.31,;29.54,-31.06,;29.56,-32.6,;28.1,-33.1,;27.18,-31.85,;25.64,-31.87,;28.07,-30.6,;27.37,-29.23,;25.82,-29.16,;25.04,-27.83,;25.8,-26.49,;25.02,-25.17,;23.48,-25.18,;22.72,-26.52,;23.51,-27.85,;36.19,-28.82,;34.94,-27.94,;35.97,-25.71,;35.15,-24.41,)| Show InChI InChI=1S/C35H53N7/c1-35(2,3)30-16-14-29(15-17-30)25-42-32(22-27-10-5-4-6-11-27)26-40(34(42)37)20-8-7-13-31-24-39-33(36)41(31)21-18-28-12-9-19-38-23-28/h4-6,9-12,19,23,29-32,37H,7-8,13-18,20-22,24-26H2,1-3H3,(H2,36,39)/t29?,30?,31-,32-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.33E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Torrey Pines Institute for Molecular Studies Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from rat alpha3beta4 nAChR transfected in HEK293 cells after 2 hrs by beta-plate counting analysis				J Med Chem 56: 10103-17 (2013) Article DOI: 10.1021/jm401543h BindingDB Entry DOI: 10.7270/Q25D8TBR
					More data for this Ligand-Target Pair