BDBM50169438 CHEMBL3804898::US9481677, 63
SMILES: Nc1noc2ccc(cc12)-c1cc(Cl)ccc1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1ncccn1
InChI Key: InChIKey=PMKRZNNFJGGOGE-UHFFFAOYSA-N
Data: 7 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 |
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Sodium channel protein type 9 subunit alpha (Homo sapiens (Human)) | BDBM50169438 (CHEMBL3804898 | US9481677, 63) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | US Patent | n/a | n/a | 4.40 | 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 9 subunit alpha (Homo sapiens (Human)) | BDBM50169438 (CHEMBL3804898 | US9481677, 63) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 4.40 | 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 | |||||||||||||
Cytochrome P450 2C9 (Homo sapiens (Human)) | BDBM50169438 (CHEMBL3804898 | US9481677, 63) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 570 | 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 2C19 (Homo sapiens (Human)) | BDBM50169438 (CHEMBL3804898 | US9481677, 63) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals, Inc. Curated by ChEMBL | Assay Description Inhibition of CYP2C19 in human liver microsomes using mephenytoin 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)) | BDBM50169438 (CHEMBL3804898 | US9481677, 63) | PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >1.00E+4 | 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)) | BDBM50169438 (CHEMBL3804898 | US9481677, 63) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >1.00E+4 | 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 | |||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM50169438 (CHEMBL3804898 | US9481677, 63) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >1.00E+4 | 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 |