BDBM50530533 CHEMBL4435054

SMILES: CC(C)N(C)Cc1cccc(F)c1CNc1cc(F)c(c(F)c1)S(=O)(=O)Nc1cscn1

InChI Key: InChIKey=ANGUVPSJNSWBFO-UHFFFAOYSA-N

Data: 22 IC50  2 EC50

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 27 hits for monomerid = 50530533   

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
SCN9A/SCN1B (Homo sapiens (Human))	BDBM50530533 (CHEMBL4435054 | US11174268, Example 185) Show SMILES CC(C)N(C)Cc1cccc(F)c1CNc1cc(F)c(c(F)c1)S(=O)(=O)Nc1cscn1 Show InChI InChI=1S/C21H23F3N4O2S2/c1-13(2)28(3)10-14-5-4-6-17(22)16(14)9-25-15-7-18(23)21(19(24)8-15)32(29,30)27-20-11-31-12-26-20/h4-8,11-13,25,27H,9-10H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	297	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
					More data for this Ligand-Target Pair
Sodium channel alpha subunit (Homo sapiens (Human))	BDBM50530533 (CHEMBL4435054 | US11174268, Example 185) Show SMILES CC(C)N(C)Cc1cccc(F)c1CNc1cc(F)c(c(F)c1)S(=O)(=O)Nc1cscn1 Show InChI InChI=1S/C21H23F3N4O2S2/c1-13(2)28(3)10-14-5-4-6-17(22)16(14)9-25-15-7-18(23)21(19(24)8-15)32(29,30)27-20-11-31-12-26-20/h4-8,11-13,25,27H,9-10H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50530533 (CHEMBL4435054 | US11174268, Example 185) Show SMILES CC(C)N(C)Cc1cccc(F)c1CNc1cc(F)c(c(F)c1)S(=O)(=O)Nc1cscn1 Show InChI InChI=1S/C21H23F3N4O2S2/c1-13(2)28(3)10-14-5-4-6-17(22)16(14)9-25-15-7-18(23)21(19(24)8-15)32(29,30)27-20-11-31-12-26-20/h4-8,11-13,25,27H,9-10H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.00E+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 S-mephenytoin 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
					More data for this Ligand-Target Pair
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM50530533 (CHEMBL4435054 | US11174268, Example 185) Show SMILES CC(C)N(C)Cc1cccc(F)c1CNc1cc(F)c(c(F)c1)S(=O)(=O)Nc1cscn1 Show InChI InChI=1S/C21H23F3N4O2S2/c1-13(2)28(3)10-14-5-4-6-17(22)16(14)9-25-15-7-18(23)21(19(24)8-15)32(29,30)27-20-11-31-12-26-20/h4-8,11-13,25,27H,9-10H2,1-3H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Xenon Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in HEK293 cells by IonWorks barracuda patch clamp method				J Med Chem 62: 9618-9641 (2019) Article DOI: 10.1021/acs.jmedchem.9b01032
					More data for this Ligand-Target Pair
Sodium channel subunit beta-1 (Homo sapiens)	BDBM50530533 (CHEMBL4435054 | US11174268, Example 185) Show SMILES CC(C)N(C)Cc1cccc(F)c1CNc1cc(F)c(c(F)c1)S(=O)(=O)Nc1cscn1 Show InChI InChI=1S/C21H23F3N4O2S2/c1-13(2)28(3)10-14-5-4-6-17(22)16(14)9-25-15-7-18(23)21(19(24)8-15)32(29,30)27-20-11-31-12-26-20/h4-8,11-13,25,27H,9-10H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	66	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
					More data for this Ligand-Target Pair
SCN8A/SCN1B (Homo sapiens (Human))	BDBM50530533 (CHEMBL4435054 | US11174268, Example 185) Show SMILES CC(C)N(C)Cc1cccc(F)c1CNc1cc(F)c(c(F)c1)S(=O)(=O)Nc1cscn1 Show InChI InChI=1S/C21H23F3N4O2S2/c1-13(2)28(3)10-14-5-4-6-17(22)16(14)9-25-15-7-18(23)21(19(24)8-15)32(29,30)27-20-11-31-12-26-20/h4-8,11-13,25,27H,9-10H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	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
					More data for this Ligand-Target Pair
SCN5A/SCN1B (Homo sapiens (Human))	BDBM50530533 (CHEMBL4435054 | US11174268, Example 185) Show SMILES CC(C)N(C)Cc1cccc(F)c1CNc1cc(F)c(c(F)c1)S(=O)(=O)Nc1cscn1 Show InChI InChI=1S/C21H23F3N4O2S2/c1-13(2)28(3)10-14-5-4-6-17(22)16(14)9-25-15-7-18(23)21(19(24)8-15)32(29,30)27-20-11-31-12-26-20/h4-8,11-13,25,27H,9-10H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid 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 Nav1.5 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
					More data for this Ligand-Target Pair
SCN8A/SCN1B (Homo sapiens (Human))	BDBM50530533 (CHEMBL4435054 | US11174268, Example 185) Show SMILES CC(C)N(C)Cc1cccc(F)c1CNc1cc(F)c(c(F)c1)S(=O)(=O)Nc1cscn1 Show InChI InChI=1S/C21H23F3N4O2S2/c1-13(2)28(3)10-14-5-4-6-17(22)16(14)9-25-15-7-18(23)21(19(24)8-15)32(29,30)27-20-11-31-12-26-20/h4-8,11-13,25,27H,9-10H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	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
					More data for this Ligand-Target Pair
Cytochrome P450 1A (Homo sapiens (Human))	BDBM50530533 (CHEMBL4435054 | US11174268, Example 185) Show SMILES CC(C)N(C)Cc1cccc(F)c1CNc1cc(F)c(c(F)c1)S(=O)(=O)Nc1cscn1 Show InChI InChI=1S/C21H23F3N4O2S2/c1-13(2)28(3)10-14-5-4-6-17(22)16(14)9-25-15-7-18(23)21(19(24)8-15)32(29,30)27-20-11-31-12-26-20/h4-8,11-13,25,27H,9-10H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.00E+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 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
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50530533 (CHEMBL4435054 | US11174268, Example 185) Show SMILES CC(C)N(C)Cc1cccc(F)c1CNc1cc(F)c(c(F)c1)S(=O)(=O)Nc1cscn1 Show InChI InChI=1S/C21H23F3N4O2S2/c1-13(2)28(3)10-14-5-4-6-17(22)16(14)9-25-15-7-18(23)21(19(24)8-15)32(29,30)27-20-11-31-12-26-20/h4-8,11-13,25,27H,9-10H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40E+4	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
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50530533 (CHEMBL4435054 | US11174268, Example 185) Show SMILES CC(C)N(C)Cc1cccc(F)c1CNc1cc(F)c(c(F)c1)S(=O)(=O)Nc1cscn1 Show InChI InChI=1S/C21H23F3N4O2S2/c1-13(2)28(3)10-14-5-4-6-17(22)16(14)9-25-15-7-18(23)21(19(24)8-15)32(29,30)27-20-11-31-12-26-20/h4-8,11-13,25,27H,9-10H2,1-3H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.30E+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 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
					More data for this Ligand-Target Pair
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM50530533 (CHEMBL4435054 | US11174268, Example 185) Show SMILES CC(C)N(C)Cc1cccc(F)c1CNc1cc(F)c(c(F)c1)S(=O)(=O)Nc1cscn1 Show InChI InChI=1S/C21H23F3N4O2S2/c1-13(2)28(3)10-14-5-4-6-17(22)16(14)9-25-15-7-18(23)21(19(24)8-15)32(29,30)27-20-11-31-12-26-20/h4-8,11-13,25,27H,9-10H2,1-3H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Xenon Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in HEK293 cells by IonWorks barracuda patch clamp method				J Med Chem 62: 9618-9641 (2019) Article DOI: 10.1021/acs.jmedchem.9b01032
					More data for this Ligand-Target Pair
Sodium channel subunit beta-1 (Homo sapiens)	BDBM50530533 (CHEMBL4435054 | US11174268, Example 185) Show SMILES CC(C)N(C)Cc1cccc(F)c1CNc1cc(F)c(c(F)c1)S(=O)(=O)Nc1cscn1 Show InChI InChI=1S/C21H23F3N4O2S2/c1-13(2)28(3)10-14-5-4-6-17(22)16(14)9-25-15-7-18(23)21(19(24)8-15)32(29,30)27-20-11-31-12-26-20/h4-8,11-13,25,27H,9-10H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	66	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
					More data for this Ligand-Target Pair
Cytochrome P450 1A (Homo sapiens (Human))	BDBM50530533 (CHEMBL4435054 | US11174268, Example 185) Show SMILES CC(C)N(C)Cc1cccc(F)c1CNc1cc(F)c(c(F)c1)S(=O)(=O)Nc1cscn1 Show InChI InChI=1S/C21H23F3N4O2S2/c1-13(2)28(3)10-14-5-4-6-17(22)16(14)9-25-15-7-18(23)21(19(24)8-15)32(29,30)27-20-11-31-12-26-20/h4-8,11-13,25,27H,9-10H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.00E+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 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
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50530533 (CHEMBL4435054 | US11174268, Example 185) Show SMILES CC(C)N(C)Cc1cccc(F)c1CNc1cc(F)c(c(F)c1)S(=O)(=O)Nc1cscn1 Show InChI InChI=1S/C21H23F3N4O2S2/c1-13(2)28(3)10-14-5-4-6-17(22)16(14)9-25-15-7-18(23)21(19(24)8-15)32(29,30)27-20-11-31-12-26-20/h4-8,11-13,25,27H,9-10H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.00E+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 S-mephenytoin 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
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50530533 (CHEMBL4435054 | US11174268, Example 185) Show SMILES CC(C)N(C)Cc1cccc(F)c1CNc1cc(F)c(c(F)c1)S(=O)(=O)Nc1cscn1 Show InChI InChI=1S/C21H23F3N4O2S2/c1-13(2)28(3)10-14-5-4-6-17(22)16(14)9-25-15-7-18(23)21(19(24)8-15)32(29,30)27-20-11-31-12-26-20/h4-8,11-13,25,27H,9-10H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40E+4	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
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50530533 (CHEMBL4435054 | US11174268, Example 185) Show SMILES CC(C)N(C)Cc1cccc(F)c1CNc1cc(F)c(c(F)c1)S(=O)(=O)Nc1cscn1 Show InChI InChI=1S/C21H23F3N4O2S2/c1-13(2)28(3)10-14-5-4-6-17(22)16(14)9-25-15-7-18(23)21(19(24)8-15)32(29,30)27-20-11-31-12-26-20/h4-8,11-13,25,27H,9-10H2,1-3H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.30E+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 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
					More data for this Ligand-Target Pair
SCN5A/SCN1B (Homo sapiens (Human))	BDBM50530533 (CHEMBL4435054 | US11174268, Example 185) Show SMILES CC(C)N(C)Cc1cccc(F)c1CNc1cc(F)c(c(F)c1)S(=O)(=O)Nc1cscn1 Show InChI InChI=1S/C21H23F3N4O2S2/c1-13(2)28(3)10-14-5-4-6-17(22)16(14)9-25-15-7-18(23)21(19(24)8-15)32(29,30)27-20-11-31-12-26-20/h4-8,11-13,25,27H,9-10H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid 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 Nav1.5 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
					More data for this Ligand-Target Pair
SCN1A/SCN1B (Homo sapiens (Human))	BDBM50530533 (CHEMBL4435054 | US11174268, Example 185) Show SMILES CC(C)N(C)Cc1cccc(F)c1CNc1cc(F)c(c(F)c1)S(=O)(=O)Nc1cscn1 Show InChI InChI=1S/C21H23F3N4O2S2/c1-13(2)28(3)10-14-5-4-6-17(22)16(14)9-25-15-7-18(23)21(19(24)8-15)32(29,30)27-20-11-31-12-26-20/h4-8,11-13,25,27H,9-10H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.06E+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
					More data for this Ligand-Target Pair
SCN9A/SCN1B (Homo sapiens (Human))	BDBM50530533 (CHEMBL4435054 | US11174268, Example 185) Show SMILES CC(C)N(C)Cc1cccc(F)c1CNc1cc(F)c(c(F)c1)S(=O)(=O)Nc1cscn1 Show InChI InChI=1S/C21H23F3N4O2S2/c1-13(2)28(3)10-14-5-4-6-17(22)16(14)9-25-15-7-18(23)21(19(24)8-15)32(29,30)27-20-11-31-12-26-20/h4-8,11-13,25,27H,9-10H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	297	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
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50530533 (CHEMBL4435054 | US11174268, Example 185) Show SMILES CC(C)N(C)Cc1cccc(F)c1CNc1cc(F)c(c(F)c1)S(=O)(=O)Nc1cscn1 Show InChI InChI=1S/C21H23F3N4O2S2/c1-13(2)28(3)10-14-5-4-6-17(22)16(14)9-25-15-7-18(23)21(19(24)8-15)32(29,30)27-20-11-31-12-26-20/h4-8,11-13,25,27H,9-10H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.80E+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 midazolam 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
					More data for this Ligand-Target Pair
Pregnane X receptor (Homo sapiens (Human))	BDBM50530533 (CHEMBL4435054 | US11174268, Example 185) Show SMILES CC(C)N(C)Cc1cccc(F)c1CNc1cc(F)c(c(F)c1)S(=O)(=O)Nc1cscn1 Show InChI InChI=1S/C21H23F3N4O2S2/c1-13(2)28(3)10-14-5-4-6-17(22)16(14)9-25-15-7-18(23)21(19(24)8-15)32(29,30)27-20-11-31-12-26-20/h4-8,11-13,25,27H,9-10H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	4.10E+3	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
					More data for this Ligand-Target Pair
SCN1A/SCN1B (Homo sapiens (Human))	BDBM50530533 (CHEMBL4435054 | US11174268, Example 185) Show SMILES CC(C)N(C)Cc1cccc(F)c1CNc1cc(F)c(c(F)c1)S(=O)(=O)Nc1cscn1 Show InChI InChI=1S/C21H23F3N4O2S2/c1-13(2)28(3)10-14-5-4-6-17(22)16(14)9-25-15-7-18(23)21(19(24)8-15)32(29,30)27-20-11-31-12-26-20/h4-8,11-13,25,27H,9-10H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.06E+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
					More data for this Ligand-Target Pair
Pregnane X receptor (Homo sapiens (Human))	BDBM50530533 (CHEMBL4435054 | US11174268, Example 185) Show SMILES CC(C)N(C)Cc1cccc(F)c1CNc1cc(F)c(c(F)c1)S(=O)(=O)Nc1cscn1 Show InChI InChI=1S/C21H23F3N4O2S2/c1-13(2)28(3)10-14-5-4-6-17(22)16(14)9-25-15-7-18(23)21(19(24)8-15)32(29,30)27-20-11-31-12-26-20/h4-8,11-13,25,27H,9-10H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	4.10E+3	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
					More data for this Ligand-Target Pair
Sodium channel protein type 8 subunit alpha (Homo sapiens (Human))	BDBM50530533 (CHEMBL4435054 | US11174268, Example 185) Show SMILES CC(C)N(C)Cc1cccc(F)c1CNc1cc(F)c(c(F)c1)S(=O)(=O)Nc1cscn1 Show InChI InChI=1S/C21H23F3N4O2S2/c1-13(2)28(3)10-14-5-4-6-17(22)16(14)9-25-15-7-18(23)21(19(24)8-15)32(29,30)27-20-11-31-12-26-20/h4-8,11-13,25,27H,9-10H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	92	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Sodium channel protein type 5 subunit alpha/beta-1/beta-2 (Homo sapiens (Human))	BDBM50530533 (CHEMBL4435054 | US11174268, Example 185) Show SMILES CC(C)N(C)Cc1cccc(F)c1CNc1cc(F)c(c(F)c1)S(=O)(=O)Nc1cscn1 Show InChI InChI=1S/C21H23F3N4O2S2/c1-13(2)28(3)10-14-5-4-6-17(22)16(14)9-25-15-7-18(23)21(19(24)8-15)32(29,30)27-20-11-31-12-26-20/h4-8,11-13,25,27H,9-10H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50530533 (CHEMBL4435054 | US11174268, Example 185) Show SMILES CC(C)N(C)Cc1cccc(F)c1CNc1cc(F)c(c(F)c1)S(=O)(=O)Nc1cscn1 Show InChI InChI=1S/C21H23F3N4O2S2/c1-13(2)28(3)10-14-5-4-6-17(22)16(14)9-25-15-7-18(23)21(19(24)8-15)32(29,30)27-20-11-31-12-26-20/h4-8,11-13,25,27H,9-10H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.80E+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 midazolam 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
					More data for this Ligand-Target Pair