BDBM50118513 CHEMBL3617065::US10071957, Example 6

SMILES: CNS(=O)(=O)NC(=O)c1cc(Cl)c(Oc2cnc(OCC(C)C)c(Cl)c2)cc1F

InChI Key: InChIKey=JUNVHJRBBDXQAH-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50118513   

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))	BDBM50118513 (CHEMBL3617065 | US10071957, Example 6) Show SMILES CNS(=O)(=O)NC(=O)c1cc(Cl)c(Oc2cnc(OCC(C)C)c(Cl)c2)cc1F Show InChI InChI=1S/C17H18Cl2FN3O5S/c1-9(2)8-27-17-13(19)4-10(7-22-17)28-15-6-14(20)11(5-12(15)18)16(24)23-29(25,26)21-3/h4-7,9,21H,8H2,1-3H3,(H,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human NaV1.7 channel expressed in HEK293 cells by patch clamp electrophysiology assay				J Med Chem 58: 7093-118 (2015) BindingDB Entry DOI: 10.7270/Q2XS5X6P
					More data for this Ligand-Target Pair
Sodium channel protein type 5 subunit alpha (Homo sapiens (Human))	BDBM50118513 (CHEMBL3617065 | US10071957, Example 6) Show SMILES CNS(=O)(=O)NC(=O)c1cc(Cl)c(Oc2cnc(OCC(C)C)c(Cl)c2)cc1F Show InChI InChI=1S/C17H18Cl2FN3O5S/c1-9(2)8-27-17-13(19)4-10(7-22-17)28-15-6-14(20)11(5-12(15)18)16(24)23-29(25,26)21-3/h4-7,9,21H,8H2,1-3H3,(H,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human NaV1.5 channel expressed in HEK293 cells by patch clamp electrophysiology assay				J Med Chem 58: 7093-118 (2015) BindingDB Entry DOI: 10.7270/Q2XS5X6P
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50118513 (CHEMBL3617065 | US10071957, Example 6) Show SMILES CNS(=O)(=O)NC(=O)c1cc(Cl)c(Oc2cnc(OCC(C)C)c(Cl)c2)cc1F Show InChI InChI=1S/C17H18Cl2FN3O5S/c1-9(2)8-27-17-13(19)4-10(7-22-17)28-15-6-14(20)11(5-12(15)18)16(24)23-29(25,26)21-3/h4-7,9,21H,8H2,1-3H3,(H,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	8.5	n/a	n/a	n/a	n/a	7.4	25
GENENTECH, INC.; XENON PHARMACEUTICALS INC. US Patent					Assay Description Preparation of membranes containing recombinantly expressed sodium channels: Frozen recombinant cell pellets were thawed on ice and diluted to 4 time...				US Patent US10071957 (2018) BindingDB Entry DOI: 10.7270/Q2J1056P
					More data for this Ligand-Target Pair
Sodium channel protein type 5 subunit alpha (Homo sapiens (Human))	BDBM50118513 (CHEMBL3617065 | US10071957, Example 6) Show SMILES CNS(=O)(=O)NC(=O)c1cc(Cl)c(Oc2cnc(OCC(C)C)c(Cl)c2)cc1F Show InChI InChI=1S/C17H18Cl2FN3O5S/c1-9(2)8-27-17-13(19)4-10(7-22-17)28-15-6-14(20)11(5-12(15)18)16(24)23-29(25,26)21-3/h4-7,9,21H,8H2,1-3H3,(H,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	7.18E+3	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 US10071957 (2018) BindingDB Entry DOI: 10.7270/Q2J1056P
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50118513 (CHEMBL3617065 | US10071957, Example 6) Show SMILES CNS(=O)(=O)NC(=O)c1cc(Cl)c(Oc2cnc(OCC(C)C)c(Cl)c2)cc1F Show InChI InChI=1S/C17H18Cl2FN3O5S/c1-9(2)8-27-17-13(19)4-10(7-22-17)28-15-6-14(20)11(5-12(15)18)16(24)23-29(25,26)21-3/h4-7,9,21H,8H2,1-3H3,(H,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6	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 US10071957 (2018) BindingDB Entry DOI: 10.7270/Q2J1056P
					More data for this Ligand-Target Pair