BDBM342911 1-(2-chloro-3'-fluoro-5-methoxy-4-biphenylyl)-N-1,2,4-oxadiazol-3-yl-6-isoquinolinesulfonamide::US9776995, Example 7

SMILES: COc1cc(c(Cl)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ncon1)-c1cccc(F)c1

InChI Key: InChIKey=RPJWVSTULWOXEQ-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 = 342911   

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))	BDBM342911 (1-(2-chloro-3'-fluoro-5-methoxy-4-biphenylyl)-N-1,...) Show SMILES COc1cc(c(Cl)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ncon1)-c1cccc(F)c1 Show InChI InChI=1S/C24H16ClFN4O4S/c1-33-22-12-19(14-3-2-4-16(26)9-14)21(25)11-20(22)23-18-6-5-17(10-15(18)7-8-27-23)35(31,32)30-24-28-13-34-29-24/h2-13H,1H3,(H,29,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	47.7	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. US Patent					Assay Description HEK 293 cells stably transfected with human Nav1.7 were recorded in whole cell voltage clamp mode with the PatchXpress automated electrophysiology sy...				US Patent US9776995 (2017) BindingDB Entry DOI: 10.7270/Q2Q81G6R
					More data for this Ligand-Target Pair
Sodium channel protein type 5 subunit alpha (Homo sapiens (Human))	BDBM342911 (1-(2-chloro-3'-fluoro-5-methoxy-4-biphenylyl)-N-1,...) Show SMILES COc1cc(c(Cl)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ncon1)-c1cccc(F)c1 Show InChI InChI=1S/C24H16ClFN4O4S/c1-33-22-12-19(14-3-2-4-16(26)9-14)21(25)11-20(22)23-18-6-5-17(10-15(18)7-8-27-23)35(31,32)30-24-28-13-34-29-24/h2-13H,1H3,(H,29,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. US Patent					Assay Description 293 cells stably transfected with Nav 1.5 were recorded in whole cell voltage clamp mode with the PatchXpress automated electrophysiology system acco...				US Patent US9776995 (2017) BindingDB Entry DOI: 10.7270/Q2Q81G6R
					More data for this Ligand-Target Pair
Sodium channel protein type 5 subunit alpha (Homo sapiens (Human))	BDBM342911 (1-(2-chloro-3'-fluoro-5-methoxy-4-biphenylyl)-N-1,...) Show SMILES COc1cc(c(Cl)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ncon1)-c1cccc(F)c1 Show InChI InChI=1S/C24H16ClFN4O4S/c1-33-22-12-19(14-3-2-4-16(26)9-14)21(25)11-20(22)23-18-6-5-17(10-15(18)7-8-27-23)35(31,32)30-24-28-13-34-29-24/h2-13H,1H3,(H,29,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Displacement of [3H]dexamethasone from human Glucocorticoid receptor (GR); Value ranges from 378-814 nM				J Med Chem 60: 5969-5989 (2017) Article DOI: 10.1021/acs.jmedchem.6b01851 BindingDB Entry DOI: 10.7270/Q2RJ4MS7
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM342911 (1-(2-chloro-3'-fluoro-5-methoxy-4-biphenylyl)-N-1,...) Show SMILES COc1cc(c(Cl)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ncon1)-c1cccc(F)c1 Show InChI InChI=1S/C24H16ClFN4O4S/c1-33-22-12-19(14-3-2-4-16(26)9-14)21(25)11-20(22)23-18-6-5-17(10-15(18)7-8-27-23)35(31,32)30-24-28-13-34-29-24/h2-13H,1H3,(H,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin)				J Med Chem 60: 5969-5989 (2017) Article DOI: 10.1021/acs.jmedchem.6b01851 BindingDB Entry DOI: 10.7270/Q2RJ4MS7
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM342911 (1-(2-chloro-3'-fluoro-5-methoxy-4-biphenylyl)-N-1,...) Show SMILES COc1cc(c(Cl)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ncon1)-c1cccc(F)c1 Show InChI InChI=1S/C24H16ClFN4O4S/c1-33-22-12-19(14-3-2-4-16(26)9-14)21(25)11-20(22)23-18-6-5-17(10-15(18)7-8-27-23)35(31,32)30-24-28-13-34-29-24/h2-13H,1H3,(H,29,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human Nav1.7 expressed in HEK293 cells incubated for 3 to 5 mins at -125 mV holding potential by electrophysiology assay				J Med Chem 60: 5969-5989 (2017) Article DOI: 10.1021/acs.jmedchem.6b01851 BindingDB Entry DOI: 10.7270/Q2RJ4MS7
					More data for this Ligand-Target Pair