BDBM145624 US8952169, 427

SMILES: CC1(COc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)N2CCC2)CCC(CC1)C(F)(F)F

InChI Key: InChIKey=FWHFEIOJQPVXNQ-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 = 145624   

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))	BDBM145624 (US8952169, 427) Show SMILES CC1(COc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)N2CCC2)CCC(CC1)C(F)(F)F |(-4.28,-.69,;-4.28,.85,;-2.94,.08,;-1.61,.85,;-.28,.08,;1.06,.85,;2.39,.08,;3.72,.85,;2.39,-1.46,;1.06,-2.23,;-.28,-1.46,;-1.61,-2.23,;-3.15,-2.23,;-2.38,-3.57,;3.72,-2.23,;3.72,-3.77,;5.06,-1.46,;6.39,-2.23,;5.62,-3.57,;7.16,-.9,;7.73,-3,;8.12,-4.49,;9.61,-4.09,;9.21,-2.6,;-4.28,2.39,;-5.61,3.16,;-6.94,2.39,;-6.94,.85,;-5.61,.08,;-8.28,3.16,;-9.61,3.93,;-7.51,4.49,;-9.05,1.82,)| Show InChI InChI=1S/C22H28F4N2O4S/c1-21(7-5-15(6-8-21)22(24,25)26)13-32-19-12-18(23)17(11-16(19)14-3-4-14)20(29)27-33(30,31)28-9-2-10-28/h11-12,14-15H,2-10,13H2,1H3,(H,27,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	130	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))	BDBM145624 (US8952169, 427) Show SMILES CC1(COc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)N2CCC2)CCC(CC1)C(F)(F)F |(-4.28,-.69,;-4.28,.85,;-2.94,.08,;-1.61,.85,;-.28,.08,;1.06,.85,;2.39,.08,;3.72,.85,;2.39,-1.46,;1.06,-2.23,;-.28,-1.46,;-1.61,-2.23,;-3.15,-2.23,;-2.38,-3.57,;3.72,-2.23,;3.72,-3.77,;5.06,-1.46,;6.39,-2.23,;5.62,-3.57,;7.16,-.9,;7.73,-3,;8.12,-4.49,;9.61,-4.09,;9.21,-2.6,;-4.28,2.39,;-5.61,3.16,;-6.94,2.39,;-6.94,.85,;-5.61,.08,;-8.28,3.16,;-9.61,3.93,;-7.51,4.49,;-9.05,1.82,)| Show InChI InChI=1S/C22H28F4N2O4S/c1-21(7-5-15(6-8-21)22(24,25)26)13-32-19-12-18(23)17(11-16(19)14-3-4-14)20(29)27-33(30,31)28-9-2-10-28/h11-12,14-15H,2-10,13H2,1H3,(H,27,29)	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	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