null

SMILES: O=C(NC1CCCC1)Nc1ccc(cc1)-c1ccc(NC(=O)[C@H]2CN3CCC2CC3)cc1

InChI Key: InChIKey=IEGHTUHBRDLAEZ-DEOSSOPVSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 119805   

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 (Rattus norvegicus (Rat))	BDBM119805 (US8691840, 11) Show SMILES O=C(NC1CCCC1)Nc1ccc(cc1)-c1ccc(NC(=O)[C@H]2CN3CCC2CC3)cc1 |r,wU:22.23,(5.48,1.54,;5.48,3.08,;6.82,3.85,;8.15,3.08,;8.15,1.54,;9.62,1.06,;10.52,2.31,;9.62,3.56,;4.15,3.85,;2.82,3.08,;2.82,1.54,;1.48,.77,;.15,1.54,;.15,3.08,;1.48,3.85,;-1.18,.77,;-1.18,-.77,;-2.52,-1.54,;-3.85,-.77,;-5.19,-1.54,;-6.52,-.77,;-6.52,.77,;-7.85,-1.54,;-7.85,-3.08,;-9.19,-3.85,;-10.52,-3.08,;-10.52,-1.54,;-9.19,-.77,;-8.42,-2.1,;-9.9,-2.5,;-3.85,.77,;-2.52,1.54,)| Show InChI InChI=1S/C26H32N4O2/c31-25(24-17-30-15-13-20(24)14-16-30)27-22-9-5-18(6-10-22)19-7-11-23(12-8-19)29-26(32)28-21-3-1-2-4-21/h5-12,20-21,24H,1-4,13-17H2,(H,27,31)(H2,28,29,32)/t24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	16	-9.74	n/a	n/a	n/a	n/a	n/a	7.4	0
Bayer Intellectual Property GmbH US Patent					Assay Description The [3H]-methyllycaconitine binding assay is a modification of the method described by Davies et al. (Neuropharmacol. 1999, 38, 679-690). The P2 pell...				US Patent US8691840 (2014) BindingDB Entry DOI: 10.7270/Q2M32TFR
					More data for this Ligand-Target Pair