null

SMILES: CC(C)(C)C1CCC(CN2[C@H](CC3CCCCC3)CN(CCCC[C@H]3CN=C(N)N3CCc3cccc(F)c3)C2=N)CC1

InChI Key: InChIKey=RPYLXLZFYRJJRF-IWOFXUSUSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50446492   

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))	BDBM50446492 (CHEMBL3110032) Show SMILES CC(C)(C)C1CCC(CN2[C@H](CC3CCCCC3)CN(CCCC[C@H]3CN=C(N)N3CCc3cccc(F)c3)C2=N)CC1 |r,wU:24.24,wD:10.10,t:27,(40.12,-4.28,;39.4,-5.64,;37.86,-5.7,;38.62,-4.3,;40.22,-6.95,;41.76,-6.89,;42.57,-8.18,;41.86,-9.54,;42.68,-10.84,;42,-12.23,;42.93,-13.46,;44.47,-13.43,;45.22,-12.09,;46.76,-12.08,;47.51,-10.74,;46.73,-9.41,;45.18,-9.43,;44.42,-10.78,;42.04,-14.72,;40.57,-14.26,;39.23,-15.02,;37.9,-14.24,;36.56,-14.99,;35.23,-14.2,;33.89,-14.96,;33.91,-16.5,;32.45,-16.99,;31.53,-15.75,;29.99,-15.77,;32.43,-14.5,;31.72,-13.13,;30.17,-13.06,;29.4,-11.73,;27.86,-11.74,;27.08,-10.42,;27.84,-9.08,;29.38,-9.07,;30.14,-7.73,;30.16,-10.39,;40.55,-12.72,;39.29,-11.84,;40.33,-9.61,;39.51,-8.31,)| Show InChI InChI=1S/C36H59FN6/c1-36(2,3)30-17-15-29(16-18-30)25-43-33(23-27-10-5-4-6-11-27)26-41(35(43)39)20-8-7-14-32-24-40-34(38)42(32)21-19-28-12-9-13-31(37)22-28/h9,12-13,22,27,29-30,32-33,39H,4-8,10-11,14-21,23-26H2,1-3H3,(H2,38,40)/t29?,30?,32-,33+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.89E+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