BDBM50261141 CHEMBL4100176

SMILES: [#6]-[#8]\[#7]=[#6]-1/[#6]-[#6]-[#6](-[#6]-[#7]-c2cc(F)c(cc2Cl)S(=O)(=O)[#7]-c2nccs2)-[#6]-[#6]-1

InChI Key: InChIKey=IIBVIRHVUVVPBQ-UUYOSTAYSA-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 = 50261141   

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))	BDBM50261141 (CHEMBL4100176) Show SMILES [#6]-[#8]\[#7]=[#6]-1/[#6]-[#6]-[#6](-[#6]-[#7]-c2cc(F)c(cc2Cl)S(=O)(=O)[#7]-c2nccs2)-[#6]-[#6]-1 Show InChI InChI=1S/C17H20ClFN4O3S2/c1-26-22-12-4-2-11(3-5-12)10-21-15-9-14(19)16(8-13(15)18)28(24,25)23-17-20-6-7-27-17/h6-9,11,21H,2-5,10H2,1H3,(H,20,23)/b22-12-	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	1.37E+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 5 subunit alpha (Homo sapiens (Human))	BDBM50261141 (CHEMBL4100176) Show SMILES [#6]-[#8]\[#7]=[#6]-1/[#6]-[#6]-[#6](-[#6]-[#7]-c2cc(F)c(cc2Cl)S(=O)(=O)[#7]-c2nccs2)-[#6]-[#6]-1 Show InChI InChI=1S/C17H20ClFN4O3S2/c1-26-22-12-4-2-11(3-5-12)10-21-15-9-14(19)16(8-13(15)18)28(24,25)23-17-20-6-7-27-17/h6-9,11,21H,2-5,10H2,1H3,(H,20,23)/b22-12-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	94	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
Sodium channel protein type 5 subunit alpha (Homo sapiens (Human))	BDBM50261141 (CHEMBL4100176) Show SMILES [#6]-[#8]\[#7]=[#6]-1/[#6]-[#6]-[#6](-[#6]-[#7]-c2cc(F)c(cc2Cl)S(=O)(=O)[#7]-c2nccs2)-[#6]-[#6]-1 Show InChI InChI=1S/C17H20ClFN4O3S2/c1-26-22-12-4-2-11(3-5-12)10-21-15-9-14(19)16(8-13(15)18)28(24,25)23-17-20-6-7-27-17/h6-9,11,21H,2-5,10H2,1H3,(H,20,23)/b22-12-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.60E+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 2C9 (Homo sapiens (Human))	BDBM50261141 (CHEMBL4100176) Show SMILES [#6]-[#8]\[#7]=[#6]-1/[#6]-[#6]-[#6](-[#6]-[#7]-c2cc(F)c(cc2Cl)S(=O)(=O)[#7]-c2nccs2)-[#6]-[#6]-1 Show InChI InChI=1S/C17H20ClFN4O3S2/c1-26-22-12-4-2-11(3-5-12)10-21-15-9-14(19)16(8-13(15)18)28(24,25)23-17-20-6-7-27-17/h6-9,11,21H,2-5,10H2,1H3,(H,20,23)/b22-12-	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