BDBM145610 US8952169, 413

SMILES: CC1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)C2CC2)CC1

InChI Key: InChIKey=YGEKNWWTPROKJF-UHFFFAOYSA-N

Data: 2 IC50

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 2 hits for monomerid = 145610   

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
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM145610 (US8952169, 413) Show SMILES CC1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)C2CC2)CC1 |w:5.4,1.0,(-8.77,-3.18,;-7.44,-2.41,;-7.44,-.87,;-6.1,-.1,;-4.77,-.87,;-3.44,-.1,;-2.1,-.87,;-.77,-.1,;-.77,1.44,;.56,2.21,;.56,3.75,;1.9,1.44,;1.9,-.1,;.56,-.87,;.56,-2.41,;-.21,-3.75,;1.33,-3.75,;3.23,2.21,;3.23,3.75,;4.56,1.44,;5.9,2.21,;5.13,3.54,;6.67,3.54,;7.23,1.44,;8,.1,;8.77,1.44,;-4.77,-2.41,;-6.1,-3.18,)| Show InChI InChI=1S/C21H28FNO4S/c1-13-2-4-14(5-3-13)12-27-20-11-19(22)18(10-17(20)15-6-7-15)21(24)23-28(25,26)16-8-9-16/h10-11,13-16H,2-9,12H2,1H3,(H,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	37
Xenon Pharmaceuticals Inc.; Genentech, Inc. US Patent					Assay Description Patch voltage clamp electrophysiology allows for the direct measurement and quantification of block of voltage-gated sodium channels (NaV's), and all...				US Patent US8952169 (2015) BindingDB Entry DOI: 10.7270/Q2M04445
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM145610 (US8952169, 413) Show SMILES CC1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)C2CC2)CC1 |w:5.4,1.0,(-8.77,-3.18,;-7.44,-2.41,;-7.44,-.87,;-6.1,-.1,;-4.77,-.87,;-3.44,-.1,;-2.1,-.87,;-.77,-.1,;-.77,1.44,;.56,2.21,;.56,3.75,;1.9,1.44,;1.9,-.1,;.56,-.87,;.56,-2.41,;-.21,-3.75,;1.33,-3.75,;3.23,2.21,;3.23,3.75,;4.56,1.44,;5.9,2.21,;5.13,3.54,;6.67,3.54,;7.23,1.44,;8,.1,;8.77,1.44,;-4.77,-2.41,;-6.1,-3.18,)| Show InChI InChI=1S/C21H28FNO4S/c1-13-2-4-14(5-3-13)12-27-20-11-19(22)18(10-17(20)15-6-7-15)21(24)23-28(25,26)16-8-9-16/h10-11,13-16H,2-9,12H2,1H3,(H,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	7.4	25
Xenon Pharmaceuticals Inc.; Genentech, Inc. US Patent					Assay Description Radioligand Binding Studies: Saturation experiments. A representative compound of formula (I) was tritiated. Three tritiums were incorporated in plac...				US Patent US8952169 (2015) BindingDB Entry DOI: 10.7270/Q2M04445
					More data for this Ligand-Target Pair