BindingDB PrimarySearch

BDBM50530536 CHEMBL4580996

SMILES: C[C@H](Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1)c1cc(F)ccc1F

InChI Key: InChIKey=KLWKJFRXLGLTIH-VIFPVBQESA-N

Data: 12 IC50 2 EC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 23 hits for monomerid = 50530536
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
SCN8A/SCN1B (Homo sapiens (Human))	BDBM50530536 (CHEMBL4580996 \| US11174268, Example 336) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	119	n/a	n/a	n/a	n/a	n/a	n/a
Xenon Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human full length Nav1.6 co-expressed with human SCN1B in HEK293 cells measured after 20 mins at -45 mV holding potential b...				J Med Chem 62: 9618-9641 (2019) Article DOI: 10.1021/acs.jmedchem.9b01032
Xenon Pharmaceuticals Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Sodium channel alpha subunit (Homo sapiens (Human))	BDBM50530536 (CHEMBL4580996 \| US11174268, Example 336) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem		n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair
SCN8A/SCN1B (Homo sapiens (Human))	BDBM50530536 (CHEMBL4580996 \| US11174268, Example 336) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	119	n/a	n/a	n/a	n/a	n/a	n/a
Xenon Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human full length Nav1.6 co-expressed with human SCN1B in HEK293 cells measured after 20 mins at -45 mV holding potential b...				J Med Chem 62: 9618-9641 (2019) Article DOI: 10.1021/acs.jmedchem.9b01032
Xenon Pharmaceuticals Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Sodium channel subunit beta-1 (Homo sapiens)	BDBM50530536 (CHEMBL4580996 \| US11174268, Example 336) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Xenon Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human full length Nav1.2 co-expressed with human SCN1B in HEK293 cells measured after 20 mins at -45 mV holding potential b...				J Med Chem 62: 9618-9641 (2019) Article DOI: 10.1021/acs.jmedchem.9b01032
Xenon Pharmaceuticals Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
SCN9A/SCN1B (Homo sapiens (Human))	BDBM50530536 (CHEMBL4580996 \| US11174268, Example 336) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	258	n/a	n/a	n/a	n/a	n/a	n/a
Xenon Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human full length Nav1.7 co-expressed with human SCN1B in HEK293 cells measured after 20 mins at -60 mV holding potential b...				J Med Chem 62: 9618-9641 (2019) Article DOI: 10.1021/acs.jmedchem.9b01032
Xenon Pharmaceuticals Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Pregnane X receptor (Homo sapiens (Human))	BDBM50530536 (CHEMBL4580996 \| US11174268, Example 336) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	n/a	400	n/a	n/a	n/a	n/a
Xenon Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Agonist activity at PXR in human DPX2 cells after 24 hrs by luciferase reporter gene assay				J Med Chem 62: 9618-9641 (2019) Article DOI: 10.1021/acs.jmedchem.9b01032
Xenon Pharmaceuticals Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
SCN1A/SCN1B (Homo sapiens (Human))	BDBM50530536 (CHEMBL4580996 \| US11174268, Example 336) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article 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 recombinant human full length Nav1.1 co-expressed with human SCN1B in HEK293 cells measured after 20 mins at -45 mV holding potential b...				J Med Chem 62: 9618-9641 (2019) Article DOI: 10.1021/acs.jmedchem.9b01032
Xenon Pharmaceuticals Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Sodium channel subunit beta-1 (Homo sapiens)	BDBM50530536 (CHEMBL4580996 \| US11174268, Example 336) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Xenon Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human full length Nav1.2 co-expressed with human SCN1B in HEK293 cells measured after 20 mins at -45 mV holding potential b...				J Med Chem 62: 9618-9641 (2019) Article DOI: 10.1021/acs.jmedchem.9b01032
Xenon Pharmaceuticals Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Pregnane X receptor (Homo sapiens (Human))	BDBM50530536 (CHEMBL4580996 \| US11174268, Example 336) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	n/a	400	n/a	n/a	n/a	n/a
Xenon Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Agonist activity at PXR in human DPX2 cells after 24 hrs by luciferase reporter gene assay				J Med Chem 62: 9618-9641 (2019) Article DOI: 10.1021/acs.jmedchem.9b01032
Xenon Pharmaceuticals Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
SCN5A/SCN1B (Homo sapiens (Human))	BDBM50530536 (CHEMBL4580996 \| US11174268, Example 336) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Xenon Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human full length Nav1.5 co-expressed with human SCN1B in HEK293 cells measured after 20 mins at -60 mV holding potential b...				J Med Chem 62: 9618-9641 (2019) Article DOI: 10.1021/acs.jmedchem.9b01032
Xenon Pharmaceuticals Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
SCN5A/SCN1B (Homo sapiens (Human))	BDBM50530536 (CHEMBL4580996 \| US11174268, Example 336) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Xenon Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human full length Nav1.5 co-expressed with human SCN1B in HEK293 cells measured after 20 mins at -60 mV holding potential b...				J Med Chem 62: 9618-9641 (2019) Article DOI: 10.1021/acs.jmedchem.9b01032
Xenon Pharmaceuticals Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
SCN9A/SCN1B (Homo sapiens (Human))	BDBM50530536 (CHEMBL4580996 \| US11174268, Example 336) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	258	n/a	n/a	n/a	n/a	n/a	n/a
Xenon Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human full length Nav1.7 co-expressed with human SCN1B in HEK293 cells measured after 20 mins at -60 mV holding potential b...				J Med Chem 62: 9618-9641 (2019) Article DOI: 10.1021/acs.jmedchem.9b01032
Xenon Pharmaceuticals Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
SCN1A/SCN1B (Homo sapiens (Human))	BDBM50530536 (CHEMBL4580996 \| US11174268, Example 336) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article 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 recombinant human full length Nav1.1 co-expressed with human SCN1B in HEK293 cells measured after 20 mins at -45 mV holding potential b...				J Med Chem 62: 9618-9641 (2019) Article DOI: 10.1021/acs.jmedchem.9b01032
Xenon Pharmaceuticals Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50530536 (CHEMBL4580996 \| US11174268, Example 336) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	3.00E+3	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 diclofenac as substrate incubated for 10 mins in presence of NADPH by LC-MS/MS analysis				J Med Chem 62: 9618-9641 (2019) Article DOI: 10.1021/acs.jmedchem.9b01032
Xenon Pharmaceuticals Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Sodium channel protein type 8 subunit alpha (Homo sapiens (Human))	BDBM50530536 (CHEMBL4580996 \| US11174268, Example 336) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem		n/a	n/a	401	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair
Sodium channel protein type 5 subunit alpha/beta-1/beta-2 (Homo sapiens (Human))	BDBM50530536 (CHEMBL4580996 \| US11174268, Example 336) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem		n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair
Sodium channel alpha subunit (Homo sapiens (Human))	BDBM50530536 (CHEMBL4580996 \| US11174268, Example 336) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem		n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair
Sodium channel protein type 8 subunit alpha (Homo sapiens (Human))	BDBM50530536 (CHEMBL4580996 \| US11174268, Example 336) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem		n/a	n/a	524	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair
Sodium channel protein type 8 subunit alpha (Homo sapiens (Human))	BDBM50530536 (CHEMBL4580996 \| US11174268, Example 336) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem		n/a	n/a	119	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair
Sodium channel protein type 5 subunit alpha/beta-1/beta-2 (Homo sapiens (Human))	BDBM50530536 (CHEMBL4580996 \| US11174268, Example 336) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem		n/a	n/a	7.68E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair
Sodium channel protein type 5 subunit alpha/beta-1/beta-2 (Homo sapiens (Human))	BDBM50530536 (CHEMBL4580996 \| US11174268, Example 336) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem		n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair
Sodium channel alpha subunit (Homo sapiens (Human))	BDBM50530536 (CHEMBL4580996 \| US11174268, Example 336) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem		n/a	n/a	5.12E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50530536 (CHEMBL4580996 \| US11174268, Example 336) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	3.00E+3	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 diclofenac as substrate incubated for 10 mins in presence of NADPH by LC-MS/MS analysis				J Med Chem 62: 9618-9641 (2019) Article DOI: 10.1021/acs.jmedchem.9b01032
Xenon Pharmaceuticals Inc. Curated by ChEMBL					More data for this Ligand-Target Pair