Compile Data Set for Download or QSAR

Found 9 hits Enz. Inhib. hit(s) with all data for assayid = 2 entry = 50047473   

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))	BDBM50169426 (CHEMBL3806065 | US9481677, 69) Show SMILES CNc1noc2ccc(cc12)-c1cc(Cl)ccc1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1ncns1 Show InChI InChI=1S/C22H14ClF2N5O4S2/c1-26-21-14-6-11(2-4-18(14)34-29-21)13-7-12(23)3-5-17(13)33-19-8-16(25)20(9-15(19)24)36(31,32)30-22-27-10-28-35-22/h2-10H,1H3,(H,26,29)(H,27,28,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Xenon Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of full length human Nav1.5 channel expressed in HEK cells co-expressing human sodium channel subunit beta1 at holding potential -60 mV by...				ACS Med Chem Lett 7: 277-82 (2016) Article DOI: 10.1021/acsmedchemlett.5b00447 BindingDB Entry DOI: 10.7270/Q2J1052W
					More data for this Ligand-Target Pair
Sodium channel protein type 5 subunit alpha (Homo sapiens (Human))	BDBM50169425 (CHEMBL3341983 | US9481677, 44) Show SMILES Nc1noc2ccc(cc12)-c1cc(Cl)ccc1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1ncns1 Show InChI InChI=1S/C21H12ClF2N5O4S2/c22-11-2-4-16(12(6-11)10-1-3-17-13(5-10)20(25)28-33-17)32-18-7-15(24)19(8-14(18)23)35(30,31)29-21-26-9-27-34-21/h1-9H,(H2,25,28)(H,26,27,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.38E+3	n/a	n/a	n/a	n/a	n/a	n/a
Xenon Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of full length human Nav1.5 channel expressed in HEK cells co-expressing human sodium channel subunit beta1 at holding potential -60 mV by...				ACS Med Chem Lett 7: 277-82 (2016) Article DOI: 10.1021/acsmedchemlett.5b00447 BindingDB Entry DOI: 10.7270/Q2J1052W
					More data for this Ligand-Target Pair
Sodium channel protein type 5 subunit alpha (Homo sapiens (Human))	BDBM50169432 (CHEMBL3805973 | US9481677, 48) Show SMILES Fc1cc(c(F)cc1Oc1ccc(Cl)cc1-c1ccc2[nH]c(=O)[nH]c2c1)S(=O)(=O)Nc1ncns1 Show InChI InChI=1S/C21H12ClF2N5O4S2/c22-11-2-4-17(12(6-11)10-1-3-15-16(5-10)28-20(30)27-15)33-18-7-14(24)19(8-13(18)23)35(31,32)29-21-25-9-26-34-21/h1-9H,(H,25,26,29)(H2,27,28,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Xenon Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of full length human Nav1.5 channel expressed in HEK cells co-expressing human sodium channel subunit beta1 at holding potential -60 mV by...				ACS Med Chem Lett 7: 277-82 (2016) Article DOI: 10.1021/acsmedchemlett.5b00447 BindingDB Entry DOI: 10.7270/Q2J1052W
					More data for this Ligand-Target Pair
Sodium channel protein type 5 subunit alpha (Homo sapiens (Human))	BDBM50169430 (CHEMBL3805347 | US9481677, 59) Show SMILES Fc1cc(c(F)cc1Oc1ccc(Cl)cc1-c1ccc2nccnc2c1)S(=O)(=O)Nc1ncns1 Show InChI InChI=1S/C22H12ClF2N5O3S2/c23-13-2-4-19(14(8-13)12-1-3-17-18(7-12)27-6-5-26-17)33-20-9-16(25)21(10-15(20)24)35(31,32)30-22-28-11-29-34-22/h1-11H,(H,28,29,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Xenon Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of full length human Nav1.5 channel expressed in HEK cells co-expressing human sodium channel subunit beta1 at holding potential -60 mV by...				ACS Med Chem Lett 7: 277-82 (2016) Article DOI: 10.1021/acsmedchemlett.5b00447 BindingDB Entry DOI: 10.7270/Q2J1052W
					More data for this Ligand-Target Pair
Sodium channel protein type 5 subunit alpha (Homo sapiens (Human))	BDBM50169431 (CHEMBL3805722 | US9481677, 73) Show SMILES Fc1cc(c(F)cc1Oc1ccc(Cl)cc1-c1ccc2[nH]cnc2c1)S(=O)(=O)Nc1ncns1 Show InChI InChI=1S/C21H12ClF2N5O3S2/c22-12-2-4-18(13(6-12)11-1-3-16-17(5-11)26-9-25-16)32-19-7-15(24)20(8-14(19)23)34(30,31)29-21-27-10-28-33-21/h1-10H,(H,25,26)(H,27,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Xenon Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of full length human Nav1.5 channel expressed in HEK cells co-expressing human sodium channel subunit beta1 at holding potential -60 mV by...				ACS Med Chem Lett 7: 277-82 (2016) Article DOI: 10.1021/acsmedchemlett.5b00447 BindingDB Entry DOI: 10.7270/Q2J1052W
					More data for this Ligand-Target Pair
Sodium channel protein type 5 subunit alpha (Homo sapiens (Human))	BDBM50118514 (CHEMBL3617063 | US9481677, 38) Show SMILES Nc1nc2cc(ccc2[nH]1)-c1cc(Cl)ccc1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1ncns1 Show InChI InChI=1S/C21H13ClF2N6O3S2/c22-11-2-4-17(12(6-11)10-1-3-15-16(5-10)29-20(25)28-15)33-18-7-14(24)19(8-13(18)23)35(31,32)30-21-26-9-27-34-21/h1-9H,(H3,25,28,29)(H,26,27,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Xenon Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of full length human Nav1.5 channel expressed in HEK cells co-expressing human sodium channel subunit beta1 at holding potential -60 mV by...				ACS Med Chem Lett 7: 277-82 (2016) Article DOI: 10.1021/acsmedchemlett.5b00447 BindingDB Entry DOI: 10.7270/Q2J1052W
					More data for this Ligand-Target Pair
Sodium channel protein type 5 subunit alpha (Homo sapiens (Human))	BDBM50169427 (CHEMBL3805897 | US9481677, 45) Show SMILES Nc1n[nH]c2ccc(cc12)-c1cc(Cl)ccc1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1ncns1 Show InChI InChI=1S/C21H13ClF2N6O3S2/c22-11-2-4-17(12(6-11)10-1-3-16-13(5-10)20(25)29-28-16)33-18-7-15(24)19(8-14(18)23)35(31,32)30-21-26-9-27-34-21/h1-9H,(H3,25,28,29)(H,26,27,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Xenon Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of full length human Nav1.5 channel expressed in HEK cells co-expressing human sodium channel subunit beta1 at holding potential -60 mV by...				ACS Med Chem Lett 7: 277-82 (2016) Article DOI: 10.1021/acsmedchemlett.5b00447 BindingDB Entry DOI: 10.7270/Q2J1052W
					More data for this Ligand-Target Pair
Sodium channel protein type 5 subunit alpha (Homo sapiens (Human))	BDBM50169424 (CHEMBL3805265 | US9481677, 30) Show SMILES Fc1cc(c(F)cc1Oc1ccc(Cl)cc1-c1cccc2nccn12)S(=O)(=O)Nc1ncns1 Show InChI InChI=1S/C21H12ClF2N5O3S2/c22-12-4-5-17(13(8-12)16-2-1-3-20-25-6-7-29(16)20)32-18-9-15(24)19(10-14(18)23)34(30,31)28-21-26-11-27-33-21/h1-11H,(H,26,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Xenon Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of full length human Nav1.5 channel expressed in HEK cells co-expressing human sodium channel subunit beta1 at holding potential -60 mV by...				ACS Med Chem Lett 7: 277-82 (2016) Article DOI: 10.1021/acsmedchemlett.5b00447 BindingDB Entry DOI: 10.7270/Q2J1052W
					More data for this Ligand-Target Pair
Sodium channel protein type 5 subunit alpha (Homo sapiens (Human))	BDBM50169429 (CHEMBL3805199 | US9481677, 32) Show SMILES Fc1cc(c(F)cc1Oc1ccc(Cl)cc1-c1cnc2CNCCn12)S(=O)(=O)Nc1ncns1 Show InChI InChI=1S/C20H15ClF2N6O3S2/c21-11-1-2-16(12(5-11)15-8-25-19-9-24-3-4-29(15)19)32-17-6-14(23)18(7-13(17)22)34(30,31)28-20-26-10-27-33-20/h1-2,5-8,10,24H,3-4,9H2,(H,26,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Xenon Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of full length human Nav1.5 channel expressed in HEK cells co-expressing human sodium channel subunit beta1 at holding potential -60 mV by...				ACS Med Chem Lett 7: 277-82 (2016) Article DOI: 10.1021/acsmedchemlett.5b00447 BindingDB Entry DOI: 10.7270/Q2J1052W
					More data for this Ligand-Target Pair