BDBM50237514 CHEMBL4089010::US10836758, Example 6

SMILES: Fc1cc(NCC2CNCCO2)c(Cl)cc1S(=O)(=O)Nc1nccs1

InChI Key: InChIKey=GZWLOGSZDRMFEX-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50237514   

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))	BDBM50237514 (CHEMBL4089010 | US10836758, Example 6) Show SMILES Fc1cc(NCC2CNCCO2)c(Cl)cc1S(=O)(=O)Nc1nccs1 Show InChI InChI=1S/C14H16ClFN4O3S2/c15-10-5-13(25(21,22)20-14-18-2-4-24-14)11(16)6-12(10)19-8-9-7-17-1-3-23-9/h2,4-6,9,17,19H,1,3,7-8H2,(H,18,20)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	69	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of recombinant human Nav1.7 expressed in HEK293 cells assessed as reduction in peak inward current at -60 mV holding potential measured af...				J Med Chem 60: 2513-2525 (2017) Article DOI: 10.1021/acs.jmedchem.6b01918 BindingDB Entry DOI: 10.7270/Q2057J69
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50237514 (CHEMBL4089010 | US10836758, Example 6) Show SMILES Fc1cc(NCC2CNCCO2)c(Cl)cc1S(=O)(=O)Nc1nccs1 Show InChI InChI=1S/C14H16ClFN4O3S2/c15-10-5-13(25(21,22)20-14-18-2-4-24-14)11(16)6-12(10)19-8-9-7-17-1-3-23-9/h2,4-6,9,17,19H,1,3,7-8H2,(H,18,20)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a	n/a
BRISTOL-MYERS SQUIBB COMPANY US Patent					Assay Description hNaV1.7 binding affinities were determined with a filtration binding assay using purified membranes from HEK293 cells stably expressing hNaV1.7. HEK2...				US Patent US10836758 (2020)
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50237514 (CHEMBL4089010 | US10836758, Example 6) Show SMILES Fc1cc(NCC2CNCCO2)c(Cl)cc1S(=O)(=O)Nc1nccs1 Show InChI InChI=1S/C14H16ClFN4O3S2/c15-10-5-13(25(21,22)20-14-18-2-4-24-14)11(16)6-12(10)19-8-9-7-17-1-3-23-9/h2,4-6,9,17,19H,1,3,7-8H2,(H,18,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of human CYP3A4 assessed as inhibition of dealkylation				J Med Chem 60: 2513-2525 (2017) Article DOI: 10.1021/acs.jmedchem.6b01918 BindingDB Entry DOI: 10.7270/Q2057J69
					More data for this Ligand-Target Pair
Sodium channel protein type 5 subunit alpha (Homo sapiens (Human))	BDBM50237514 (CHEMBL4089010 | US10836758, Example 6) Show SMILES Fc1cc(NCC2CNCCO2)c(Cl)cc1S(=O)(=O)Nc1nccs1 Show InChI InChI=1S/C14H16ClFN4O3S2/c15-10-5-13(25(21,22)20-14-18-2-4-24-14)11(16)6-12(10)19-8-9-7-17-1-3-23-9/h2,4-6,9,17,19H,1,3,7-8H2,(H,18,20)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of recombinant human Nav1.5 expressed in HEK293 cells assessed as reduction in peak inward current at -50 mV holding potential measured af...				J Med Chem 60: 2513-2525 (2017) Article DOI: 10.1021/acs.jmedchem.6b01918 BindingDB Entry DOI: 10.7270/Q2057J69
					More data for this Ligand-Target Pair