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-FBVYBBNNSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50446508   

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))	BDBM50446508 (CHEMBL3110044) Show SMILES CC(C)(C)C1CCC(CN2[C@@H](Cc3ccccc3)CN(CCCC[C@H]3CN=C(N)N3CCc3cccnc3)C2=N)CC1 |r,wU:10.10,24.24,t:27,(41.24,-2.68,;40.53,-4.04,;38.99,-4.1,;39.74,-2.7,;41.35,-5.35,;42.88,-5.29,;43.7,-6.58,;42.98,-7.94,;43.81,-9.23,;43.13,-10.63,;44.06,-11.86,;45.6,-11.83,;46.35,-10.49,;45.56,-9.17,;46.3,-7.83,;47.85,-7.8,;48.63,-9.13,;47.89,-10.47,;43.17,-13.12,;41.7,-12.66,;40.36,-13.42,;39.03,-12.64,;37.69,-13.39,;36.36,-12.6,;35.02,-13.36,;35.04,-14.9,;33.58,-15.39,;32.66,-14.15,;31.12,-14.17,;33.55,-12.9,;32.85,-11.53,;31.3,-11.46,;30.52,-10.13,;31.28,-8.79,;30.5,-7.47,;28.96,-7.48,;28.2,-8.82,;28.99,-10.14,;41.67,-11.12,;40.42,-10.24,;41.45,-8.01,;40.63,-6.71,)| 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-/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	2.38E+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