null

SMILES: Fc1cc(NCC2CCOCC2)c(Cl)cc1S(=O)(=O)Nc1nccs1

InChI Key: InChIKey=CXCZBWCPIJUCFH-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50261137   

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
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50261137 (CHEMBL4102647 | US10836758, Example 11) Show SMILES Fc1cc(NCC2CCOCC2)c(Cl)cc1S(=O)(=O)Nc1nccs1 Show InChI InChI=1S/C15H17ClFN3O3S2/c16-11-7-14(25(21,22)20-15-18-3-6-24-15)12(17)8-13(11)19-9-10-1-4-23-5-2-10/h3,6-8,10,19H,1-2,4-5,9H2,(H,18,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem 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 Research and Development, 5 Research Parkway, Wallingford, CT 06492-7660, USA. Electronic address: yong-jin.wu@bms.com. Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP3A4 expressed in baculovirus-infected insect cells using 7-Benzoyloxy-4-trifluoromethyl coumarin substrate in pres...				Bioorg Med Chem 25: 5490-5505 (2017) Article DOI: 10.1016/j.bmc.2017.08.012 BindingDB Entry DOI: 10.7270/Q20V8G8N
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50261137 (CHEMBL4102647 | US10836758, Example 11) Show SMILES Fc1cc(NCC2CCOCC2)c(Cl)cc1S(=O)(=O)Nc1nccs1 Show InChI InChI=1S/C15H17ClFN3O3S2/c16-11-7-14(25(21,22)20-15-18-3-6-24-15)12(17)8-13(11)19-9-10-1-4-23-5-2-10/h3,6-8,10,19H,1-2,4-5,9H2,(H,18,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem 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 Research and Development, 5 Research Parkway, Wallingford, CT 06492-7660, USA. Electronic address: yong-jin.wu@bms.com. Curated by ChEMBL					Assay Description Inhibition of human CYP2C9				Bioorg Med Chem 25: 5490-5505 (2017) Article DOI: 10.1016/j.bmc.2017.08.012 BindingDB Entry DOI: 10.7270/Q20V8G8N
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50261137 (CHEMBL4102647 | US10836758, Example 11) Show SMILES Fc1cc(NCC2CCOCC2)c(Cl)cc1S(=O)(=O)Nc1nccs1 Show InChI InChI=1S/C15H17ClFN3O3S2/c16-11-7-14(25(21,22)20-15-18-3-6-24-15)12(17)8-13(11)19-9-10-1-4-23-5-2-10/h3,6-8,10,19H,1-2,4-5,9H2,(H,18,20)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	127	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
Sodium channel protein type 5 subunit alpha (Homo sapiens (Human))	BDBM50261137 (CHEMBL4102647 | US10836758, Example 11) Show SMILES Fc1cc(NCC2CCOCC2)c(Cl)cc1S(=O)(=O)Nc1nccs1 Show InChI InChI=1S/C15H17ClFN3O3S2/c16-11-7-14(25(21,22)20-15-18-3-6-24-15)12(17)8-13(11)19-9-10-1-4-23-5-2-10/h3,6-8,10,19H,1-2,4-5,9H2,(H,18,20)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development, 5 Research Parkway, Wallingford, CT 06492-7660, USA. Electronic address: yong-jin.wu@bms.com. Curated by ChEMBL					Assay Description Inhibition of human Nav1.5 inactivated state form expressed in HEK293 cells at -50 mV holding potential by by automated patch clamp electrophysiology...				Bioorg Med Chem 25: 5490-5505 (2017) Article DOI: 10.1016/j.bmc.2017.08.012 BindingDB Entry DOI: 10.7270/Q20V8G8N
					More data for this Ligand-Target Pair
Sodium channel protein type 5 subunit alpha (Homo sapiens (Human))	BDBM50261137 (CHEMBL4102647 | US10836758, Example 11) Show SMILES Fc1cc(NCC2CCOCC2)c(Cl)cc1S(=O)(=O)Nc1nccs1 Show InChI InChI=1S/C15H17ClFN3O3S2/c16-11-7-14(25(21,22)20-15-18-3-6-24-15)12(17)8-13(11)19-9-10-1-4-23-5-2-10/h3,6-8,10,19H,1-2,4-5,9H2,(H,18,20)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	127	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development, 5 Research Parkway, Wallingford, CT 06492-7660, USA. Electronic address: yong-jin.wu@bms.com. Curated by ChEMBL					Assay Description Inhibition of human Nav1.5 inactivated state form expressed in HEK293 cells at -60 mV holding potential by by automated patch clamp electrophysiology...				Bioorg Med Chem 25: 5490-5505 (2017) Article DOI: 10.1016/j.bmc.2017.08.012 BindingDB Entry DOI: 10.7270/Q20V8G8N
					More data for this Ligand-Target Pair