BDBM50169425 CHEMBL3341983::US9481677, 44
SMILES: Nc1noc2ccc(cc12)-c1cc(Cl)ccc1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1ncns1
InChI Key: InChIKey=CYBITNCPJFQMIJ-UHFFFAOYSA-N
Data: 15 IC50
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)) | BDBM50169425 (CHEMBL3341983 | US9481677, 44) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents | US Patent | n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
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 US9481677 (2016) BindingDB Entry DOI: 10.7270/Q20V8BQT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium channel protein type 5 subunit alpha (Homo sapiens (Human)) | BDBM50169425 (CHEMBL3341983 | US9481677, 44) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc. Curated by ChEMBL | Assay Description Inhibition of Nav1.5 (unknown origin) | Bioorg Med Chem Lett 24: 3690-9 (2014) Article DOI: 10.1016/j.bmcl.2014.06.038 BindingDB Entry DOI: 10.7270/Q2KS6VJM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium channel protein type 5 subunit alpha (Homo sapiens (Human)) | BDBM50169425 (CHEMBL3341983 | US9481677, 44) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents | PubMed | n/a | n/a | 1.38E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals, Inc. Curated by ChEMBL | Assay Description Inhibition of full length human Nav1.5 channel expressed in HEK cells co-expressing human sodium channel subunit beta1 at holding potential -60 mV by... | ACS Med Chem Lett 7: 277-82 (2016) BindingDB Entry DOI: 10.7270/Q2J1052W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium channel alpha subunit (Homo sapiens (Human)) | BDBM50169425 (CHEMBL3341983 | US9481677, 44) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents | PubMed | n/a | n/a | 3.08E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals, Inc. Curated by ChEMBL | Assay Description Inhibition of full length human Nav1.1 channel expressed in HEK cells co-expressing human sodium channel subunit beta1 at holding potential -40 mV by... | ACS Med Chem Lett 7: 277-82 (2016) BindingDB Entry DOI: 10.7270/Q2J1052W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium channel protein type 2 alpha subunit (Homo sapiens (Human)) | BDBM50169425 (CHEMBL3341983 | US9481677, 44) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents | PubMed | n/a | n/a | 4.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals, Inc. Curated by ChEMBL | Assay Description Inhibition of full length human Nav1.2 channel expressed in HEK cells co-expressing human sodium channel subunit beta1 at holding potential -35 mV by... | ACS Med Chem Lett 7: 277-82 (2016) BindingDB Entry DOI: 10.7270/Q2J1052W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium channel protein type 8 subunit alpha (Homo sapiens (Human)) | BDBM50169425 (CHEMBL3341983 | US9481677, 44) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents | PubMed | n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals, Inc. Curated by ChEMBL | Assay Description Inhibition of full length human Nav1.6 channel expressed in HEK cells co-expressing human sodium channel subunit beta1 at holding potential -35 mV by... | ACS Med Chem Lett 7: 277-82 (2016) BindingDB Entry DOI: 10.7270/Q2J1052W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium channel protein type 9 subunit alpha (Mus musculus) | BDBM50169425 (CHEMBL3341983 | US9481677, 44) | PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents | PubMed | n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals, Inc. Curated by ChEMBL | Assay Description Inhibition of Nav1.7 channel in mouse CAD cells by whole-cell patch clamp assay | ACS Med Chem Lett 7: 277-82 (2016) BindingDB Entry DOI: 10.7270/Q2J1052W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium channel protein type IX alpha subunit (Rattus norvegicus) | BDBM50169425 (CHEMBL3341983 | US9481677, 44) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents | PubMed | n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals, Inc. Curated by ChEMBL | Assay Description Inhibition of rat Nav1.7 channel by automated voltage clamp analysis | ACS Med Chem Lett 7: 277-82 (2016) BindingDB Entry DOI: 10.7270/Q2J1052W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C9 (Homo sapiens (Human)) | BDBM50169425 (CHEMBL3341983 | US9481677, 44) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents | PubMed | n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals, Inc. Curated by ChEMBL | Assay Description Inhibition of CYP2C9 in human liver microsomes using warfarin as substrate after 30 mins by LC/MS/MS analysis | ACS Med Chem Lett 7: 277-82 (2016) BindingDB Entry DOI: 10.7270/Q2J1052W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM50169425 (CHEMBL3341983 | US9481677, 44) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents | PubMed | n/a | n/a | 77 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals, Inc. Curated by ChEMBL | Assay Description Inhibition of CYP3A4 in human liver microsomes using testosterone/midazolam as substrate after 30 mins by LC/MS/MS analysis | ACS Med Chem Lett 7: 277-82 (2016) BindingDB Entry DOI: 10.7270/Q2J1052W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 1A (Homo sapiens (Human)) | BDBM50169425 (CHEMBL3341983 | US9481677, 44) | PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents | PubMed | n/a | n/a | >9.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals, Inc. Curated by ChEMBL | Assay Description Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate after 30 mins by LC/MS/MS analysis | ACS Med Chem Lett 7: 277-82 (2016) BindingDB Entry DOI: 10.7270/Q2J1052W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2D6 (Homo sapiens (Human)) | BDBM50169425 (CHEMBL3341983 | US9481677, 44) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents | PubMed | n/a | n/a | >9.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals, Inc. Curated by ChEMBL | Assay Description Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate after 30 mins by LC/MS/MS analysis | ACS Med Chem Lett 7: 277-82 (2016) BindingDB Entry DOI: 10.7270/Q2J1052W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human)) | BDBM50169425 (CHEMBL3341983 | US9481677, 44) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents | PubMed | n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals, Inc. Curated by ChEMBL | Assay Description Inhibition of full length human Nav1.7 channel expressed in HEK cells co-expressing human sodium channel subunit beta3 at -150 mV by manual voltage c... | ACS Med Chem Lett 7: 277-82 (2016) BindingDB Entry DOI: 10.7270/Q2J1052W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human)) | BDBM50169425 (CHEMBL3341983 | US9481677, 44) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc. Curated by ChEMBL | Assay Description Inhibition of Nav1.7 (unknown origin) by PatchXpress method | Bioorg Med Chem Lett 24: 3690-9 (2014) Article DOI: 10.1016/j.bmcl.2014.06.038 BindingDB Entry DOI: 10.7270/Q2KS6VJM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human)) | BDBM50169425 (CHEMBL3341983 | US9481677, 44) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents | PubMed | n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals, Inc. Curated by ChEMBL | Assay Description Inhibition of full length human Nav1.7 channel expressed in HEK cells co-expressing human sodium channel subunit beta1 at holding potential -60 mV by... | ACS Med Chem Lett 7: 277-82 (2016) BindingDB Entry DOI: 10.7270/Q2J1052W | |||||||||||
More data for this Ligand-Target Pair |