Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Sodium channel protein type 5 subunit alpha' and Ligand = 'BDBM71064'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM71064 (US9546164, 209 | US9694002, 209) Show SMILES CC(C)(N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C26H31Cl2FN2O4S/c1-26(2,18-10-19(27)12-20(28)11-18)31-8-6-16(7-9-31)15-35-24-14-23(29)22(13-21(24)17-4-5-17)25(32)30-36(3,33)34/h10-14,16-17H,4-9,15H2,1-3H3,(H,30,32)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.70	n/a	n/a	n/a	n/a	7.4	25
GENENTECH, INC.; XENON PHARMACEUTICALS INC. US Patent					Assay Description Radioligand Binding Studies: Saturation experiments. A representative compound of formula (I) having a methyl group was tritiated. Three tritiums wer...				US Patent US9546164 (2017) BindingDB Entry DOI: 10.7270/Q2JD4ZS4
					More data for this Ligand-Target Pair
Sodium channel protein type 5 subunit alpha (Homo sapiens (Human))	BDBM71064 (US9546164, 209 | US9694002, 209) Show SMILES CC(C)(N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C26H31Cl2FN2O4S/c1-26(2,18-10-19(27)12-20(28)11-18)31-8-6-16(7-9-31)15-35-24-14-23(29)22(13-21(24)17-4-5-17)25(32)30-36(3,33)34/h10-14,16-17H,4-9,15H2,1-3H3,(H,30,32)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	18.2	n/a	n/a	n/a	n/a	7.4	25
GENENTECH, INC.; XENON PHARMACEUTICALS INC. US Patent					Assay Description Radioligand Binding Studies: Saturation experiments. A representative compound of formula (I) having a methyl group was tritiated. Three tritiums wer...				US Patent US9546164 (2017) BindingDB Entry DOI: 10.7270/Q2JD4ZS4
					More data for this Ligand-Target Pair
Sodium channel protein type 5 subunit alpha (Homo sapiens (Human))	BDBM71064 (US9546164, 209 | US9694002, 209) Show SMILES CC(C)(N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C26H31Cl2FN2O4S/c1-26(2,18-10-19(27)12-20(28)11-18)31-8-6-16(7-9-31)15-35-24-14-23(29)22(13-21(24)17-4-5-17)25(32)30-36(3,33)34/h10-14,16-17H,4-9,15H2,1-3H3,(H,30,32)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human Nav1.5 expressed in HEK293 cells incubated for 1 hr in presence of veratridine and anthropleurin-C by sodium influx assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00049 BindingDB Entry DOI: 10.7270/Q2WW7NKS
					More data for this Ligand-Target Pair