BDBM71017 US9546164, 165::US9694002, 165

SMILES: COC[C@@H](N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)C2CC2)CC1)c1cc(Cl)cc(Cl)c1

InChI Key: InChIKey=SDFWLGIHLRLHLP-AREMUKBSSA-N

Data: 7 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 7 hits for monomerid = 71017   

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 Complex (Homo sapiens (Human))	BDBM71017 (US9546164, 165 | US9694002, 165) Show SMILES COC[C@@H](N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)C2CC2)CC1)c1cc(Cl)cc(Cl)c1 |r| Show InChI InChI=1S/C28H33Cl2FN2O5S/c1-37-16-26(19-10-20(29)12-21(30)11-19)33-8-6-17(7-9-33)15-38-27-14-25(31)24(13-23(27)18-2-3-18)28(34)32-39(35,36)22-4-5-22/h10-14,17-18,22,26H,2-9,15-16H2,1H3,(H,32,34)/t26-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.30	n/a	n/a	n/a	n/a	7.4	25
GENENTECH, INC.; XENON PHARMACEUTICALS INC. US Patent					Assay Description Binding of this radioligand was preformed in 5 mL borosilicate glass test tubes at room temperature. Binding was initiated by adding membranes to inc...				US Patent US9694002 (2017) BindingDB Entry DOI: 10.7270/Q24B2ZFG
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM71017 (US9546164, 165 | US9694002, 165) Show SMILES COC[C@@H](N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)C2CC2)CC1)c1cc(Cl)cc(Cl)c1 |r| Show InChI InChI=1S/C28H33Cl2FN2O5S/c1-37-16-26(19-10-20(29)12-21(30)11-19)33-8-6-17(7-9-33)15-38-27-14-25(31)24(13-23(27)18-2-3-18)28(34)32-39(35,36)22-4-5-22/h10-14,17-18,22,26H,2-9,15-16H2,1H3,(H,32,34)/t26-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.40	n/a	n/a	n/a	n/a	7.4	25
GENENTECH, INC.; XENON PHARMACEUTICALS INC. US Patent					Assay Description Binding of this radioligand was preformed in 5 mL borosilicate glass test tubes at room temperature. Binding was initiated by adding membranes to inc...				US Patent US9694002 (2017) BindingDB Entry DOI: 10.7270/Q24B2ZFG
					More data for this Ligand-Target Pair
Sodium channel protein type 5 subunit alpha (Homo sapiens (Human))	BDBM71017 (US9546164, 165 | US9694002, 165) Show SMILES COC[C@@H](N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)C2CC2)CC1)c1cc(Cl)cc(Cl)c1 |r| Show InChI InChI=1S/C28H33Cl2FN2O5S/c1-37-16-26(19-10-20(29)12-21(30)11-19)33-8-6-17(7-9-33)15-38-27-14-25(31)24(13-23(27)18-2-3-18)28(34)32-39(35,36)22-4-5-22/h10-14,17-18,22,26H,2-9,15-16H2,1H3,(H,32,34)/t26-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	49	n/a	n/a	n/a	n/a	7.4	25
GENENTECH, INC.; XENON PHARMACEUTICALS INC. US Patent					Assay Description Binding of this radioligand was preformed in 5 mL borosilicate glass test tubes at room temperature. Binding was initiated by adding membranes to inc...				US Patent US9694002 (2017) BindingDB Entry DOI: 10.7270/Q24B2ZFG
					More data for this Ligand-Target Pair
Sodium channel protein type 5 subunit alpha (Homo sapiens (Human))	BDBM71017 (US9546164, 165 | US9694002, 165) Show SMILES COC[C@@H](N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)C2CC2)CC1)c1cc(Cl)cc(Cl)c1 |r| Show InChI InChI=1S/C28H33Cl2FN2O5S/c1-37-16-26(19-10-20(29)12-21(30)11-19)33-8-6-17(7-9-33)15-38-27-14-25(31)24(13-23(27)18-2-3-18)28(34)32-39(35,36)22-4-5-22/h10-14,17-18,22,26H,2-9,15-16H2,1H3,(H,32,34)/t26-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	49	n/a	n/a	n/a	n/a	7.2	n/a
GENENTECH, INC.; XENON PHARMACEUTICALS 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...				US Patent US9546164 (2017) BindingDB Entry DOI: 10.7270/Q2JD4ZS4
					More data for this Ligand-Target Pair
Sodium channel protein type 5 subunit alpha (Homo sapiens (Human))	BDBM71017 (US9546164, 165 | US9694002, 165) Show SMILES COC[C@@H](N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)C2CC2)CC1)c1cc(Cl)cc(Cl)c1 |r| Show InChI InChI=1S/C28H33Cl2FN2O5S/c1-37-16-26(19-10-20(29)12-21(30)11-19)33-8-6-17(7-9-33)15-38-27-14-25(31)24(13-23(27)18-2-3-18)28(34)32-39(35,36)22-4-5-22/h10-14,17-18,22,26H,2-9,15-16H2,1H3,(H,32,34)/t26-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.30	n/a	n/a	n/a	n/a	7.4	25
GENENTECH, INC.; XENON PHARMACEUTICALS INC. US Patent					Assay Description Radioligand Binding Studies: Saturation experiments. A representative compound of formula (I) having a methyl group was tritiated. Three tritiums wer...				US Patent US9546164 (2017) BindingDB Entry DOI: 10.7270/Q2JD4ZS4
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM71017 (US9546164, 165 | US9694002, 165) Show SMILES COC[C@@H](N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)C2CC2)CC1)c1cc(Cl)cc(Cl)c1 |r| Show InChI InChI=1S/C28H33Cl2FN2O5S/c1-37-16-26(19-10-20(29)12-21(30)11-19)33-8-6-17(7-9-33)15-38-27-14-25(31)24(13-23(27)18-2-3-18)28(34)32-39(35,36)22-4-5-22/h10-14,17-18,22,26H,2-9,15-16H2,1H3,(H,32,34)/t26-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.40	n/a	n/a	n/a	n/a	7.2	n/a
GENENTECH, INC.; XENON PHARMACEUTICALS 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...				US Patent US9546164 (2017) BindingDB Entry DOI: 10.7270/Q2JD4ZS4
					More data for this Ligand-Target Pair
Sodium channel protein type 5 subunit alpha (Homo sapiens (Human))	BDBM71017 (US9546164, 165 | US9694002, 165) Show SMILES COC[C@@H](N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)C2CC2)CC1)c1cc(Cl)cc(Cl)c1 |r| Show InChI InChI=1S/C28H33Cl2FN2O5S/c1-37-16-26(19-10-20(29)12-21(30)11-19)33-8-6-17(7-9-33)15-38-27-14-25(31)24(13-23(27)18-2-3-18)28(34)32-39(35,36)22-4-5-22/h10-14,17-18,22,26H,2-9,15-16H2,1H3,(H,32,34)/t26-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4.80	n/a	n/a	n/a	n/a	7.4	25
GENENTECH, INC.; XENON PHARMACEUTICALS INC. US Patent					Assay Description Radioligand Binding Studies: Saturation experiments. A representative compound of formula (I) having a methyl group was tritiated. Three tritiums wer...				US Patent US9546164 (2017) BindingDB Entry DOI: 10.7270/Q2JD4ZS4
					More data for this Ligand-Target Pair