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SMILES: CN1CCC(CCNc2cc(F)c(cc2Cl)S(=O)(=O)Nc2nccs2)CC1

InChI Key: InChIKey=HWTRXDHEJRPGBM-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50237512   

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))	BDBM50237512 (CHEMBL4091922 | US10836758, Example 5) Show SMILES CN1CCC(CCNc2cc(F)c(cc2Cl)S(=O)(=O)Nc2nccs2)CC1 Show InChI InChI=1S/C17H22ClFN4O2S2/c1-23-7-3-12(4-8-23)2-5-20-15-11-14(19)16(10-13(15)18)27(24,25)22-17-21-6-9-26-17/h6,9-12,20H,2-5,7-8H2,1H3,(H,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	70	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))	BDBM50237512 (CHEMBL4091922 | US10836758, Example 5) Show SMILES CN1CCC(CCNc2cc(F)c(cc2Cl)S(=O)(=O)Nc2nccs2)CC1 Show InChI InChI=1S/C17H22ClFN4O2S2/c1-23-7-3-12(4-8-23)2-5-20-15-11-14(19)16(10-13(15)18)27(24,25)22-17-21-6-9-26-17/h6,9-12,20H,2-5,7-8H2,1H3,(H,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	70	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))	BDBM50237512 (CHEMBL4091922 | US10836758, Example 5) Show SMILES CN1CCC(CCNc2cc(F)c(cc2Cl)S(=O)(=O)Nc2nccs2)CC1 Show InChI InChI=1S/C17H22ClFN4O2S2/c1-23-7-3-12(4-8-23)2-5-20-15-11-14(19)16(10-13(15)18)27(24,25)22-17-21-6-9-26-17/h6,9-12,20H,2-5,7-8H2,1H3,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt 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))	BDBM50237512 (CHEMBL4091922 | US10836758, Example 5) Show SMILES CN1CCC(CCNc2cc(F)c(cc2Cl)S(=O)(=O)Nc2nccs2)CC1 Show InChI InChI=1S/C17H22ClFN4O2S2/c1-23-7-3-12(4-8-23)2-5-20-15-11-14(19)16(10-13(15)18)27(24,25)22-17-21-6-9-26-17/h6,9-12,20H,2-5,7-8H2,1H3,(H,21,22)	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