BDBM28976 2-{1-[(4-chlorobenzene)sulfonyl]-4-{[(2-methoxybenzene)sulfonyl]methyl}cyclohexyl}-1,4-difluorobenzene::cyclohexyl sulfone-based compound, 20

SMILES: COc1ccccc1S(=O)(=O)C[C@H]1CC[C@@](CC1)(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1

InChI Key: InChIKey=TYYKLJZPSLNJOH-SKUGRUHMSA-N

Data: 1 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 28976   

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
Gamma-Secretase (Homo sapiens (Human))	BDBM28976 (2-{1-[(4-chlorobenzene)sulfonyl]-4-{[(2-methoxyben...) Show SMILES COc1ccccc1S(=O)(=O)C[C@H]1CC[C@@](CC1)(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1 |r,wU:12.12,wD:15.19,(10.8,2.6,;9.47,3.37,;9.47,4.91,;10.8,5.68,;10.8,7.22,;9.47,7.99,;8.13,7.22,;8.13,5.68,;6.8,4.91,;6.03,3.58,;7.89,3.82,;5.47,5.68,;4.13,4.91,;4.13,3.37,;2.8,2.6,;1.47,3.37,;1.47,4.91,;2.8,5.68,;-.12,3.9,;-.12,5.44,;-1.46,6.21,;-1.46,7.75,;-2.79,5.44,;-2.79,3.9,;-1.46,3.13,;-1.46,1.59,;1.47,1.83,;3.01,1.83,;-.07,1.83,;1.47,.29,;.13,-.48,;.13,-2.02,;1.47,-2.79,;1.47,-4.33,;2.8,-2.02,;2.8,-.48,)| Show InChI InChI=1S/C26H25ClF2O5S2/c1-34-24-4-2-3-5-25(24)35(30,31)17-18-12-14-26(15-13-18,22-16-20(28)8-11-23(22)29)36(32,33)21-9-6-19(27)7-10-21/h2-11,16,18H,12-15,17H2,1H3/t18-,26+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.510	n/a	n/a	n/a	n/a
Merck Research Laboratories					Assay Description A whole-cell gamma-secretase inhibition assay using SHSY5Y neuroblastoma cells in which human gamma-secretase catalyzes the breakdown of the overexpr...				Bioorg Med Chem Lett 16: 280-4 (2006) Article DOI: 10.1016/j.bmcl.2005.10.009 BindingDB Entry DOI: 10.7270/Q22Z13VQ
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