BDBM50261096 CHEMBL4075332::US10836758, Example 73

SMILES: Fc1cc(NCCC2CCS(=O)(=O)CC2)c(Cl)cc1S(=O)(=O)Nc1nccs1

InChI Key: InChIKey=IRQCHFVTFWRVCS-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50261096   

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 5 subunit alpha (Homo sapiens (Human))	BDBM50261096 (CHEMBL4075332 | US10836758, Example 73) Show SMILES Fc1cc(NCCC2CCS(=O)(=O)CC2)c(Cl)cc1S(=O)(=O)Nc1nccs1 Show InChI InChI=1S/C16H19ClFN3O4S3/c17-12-9-15(28(24,25)21-16-20-5-6-26-16)13(18)10-14(12)19-4-1-11-2-7-27(22,23)8-3-11/h5-6,9-11,19H,1-4,7-8H2,(H,20,21)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.00E+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
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50261096 (CHEMBL4075332 | US10836758, Example 73) Show SMILES Fc1cc(NCCC2CCS(=O)(=O)CC2)c(Cl)cc1S(=O)(=O)Nc1nccs1 Show InChI InChI=1S/C16H19ClFN3O4S3/c17-12-9-15(28(24,25)21-16-20-5-6-26-16)13(18)10-14(12)19-4-1-11-2-7-27(22,23)8-3-11/h5-6,9-11,19H,1-4,7-8H2,(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL 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
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50261096 (CHEMBL4075332 | US10836758, Example 73) Show SMILES Fc1cc(NCCC2CCS(=O)(=O)CC2)c(Cl)cc1S(=O)(=O)Nc1nccs1 Show InChI InChI=1S/C16H19ClFN3O4S3/c17-12-9-15(28(24,25)21-16-20-5-6-26-16)13(18)10-14(12)19-4-1-11-2-7-27(22,23)8-3-11/h5-6,9-11,19H,1-4,7-8H2,(H,20,21)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	37	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))	BDBM50261096 (CHEMBL4075332 | US10836758, Example 73) Show SMILES Fc1cc(NCCC2CCS(=O)(=O)CC2)c(Cl)cc1S(=O)(=O)Nc1nccs1 Show InChI InChI=1S/C16H19ClFN3O4S3/c17-12-9-15(28(24,25)21-16-20-5-6-26-16)13(18)10-14(12)19-4-1-11-2-7-27(22,23)8-3-11/h5-6,9-11,19H,1-4,7-8H2,(H,20,21)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	37	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
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50261096 (CHEMBL4075332 | US10836758, Example 73) Show SMILES Fc1cc(NCCC2CCS(=O)(=O)CC2)c(Cl)cc1S(=O)(=O)Nc1nccs1 Show InChI InChI=1S/C16H19ClFN3O4S3/c17-12-9-15(28(24,25)21-16-20-5-6-26-16)13(18)10-14(12)19-4-1-11-2-7-27(22,23)8-3-11/h5-6,9-11,19H,1-4,7-8H2,(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL 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