Compile Data Set for Download or QSAR

Found 73 hits Enz. Inhib. hit(s) with all data for entry = 50049276   

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 9 subunit alpha (Homo sapiens (Human))	BDBM342904 (1-(2-fluoro-5-methoxy-3'-(trifluoromethyl)-4-biphe...) Show SMILES COc1cc(c(F)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccon1)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C26H17F4N3O4S/c1-36-23-14-20(15-3-2-4-17(11-15)26(28,29)30)22(27)13-21(23)25-19-6-5-18(12-16(19)7-9-31-25)38(34,35)33-24-8-10-37-32-24/h2-14H,1H3,(H,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	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 assessed as reduction in peak inward current by ionworks quattro 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
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM154311 (US9012443, 331) Show SMILES COc1cc(c(Cl)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ncns1)-c1cccc(F)c1 Show InChI InChI=1S/C24H16ClFN4O3S2/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)30-24-28-13-29-34-24/h2-13H,1H3,(H,28,29,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	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
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM343208 (3-amino-4-(2-chloro-3'-fluoro-5-methoxy-4-biphenyl...) Show SMILES COc1cc(c(Cl)cc1-c1c(N)nnc2cc(ccc12)S(=O)(=O)Nc1ccon1)-c1cccc(F)c1 |(.67,1.54,;-.67,.77,;-.67,-.77,;.67,-1.54,;.67,-3.08,;-.67,-3.85,;-.67,-5.39,;-2,-3.08,;-2,-1.54,;-3.33,-.77,;-4.67,-1.54,;-4.67,-3.08,;-6,-.77,;-6,.77,;-4.67,1.54,;-4.67,3.08,;-3.33,3.85,;-2,3.08,;-2,1.54,;-3.33,.77,;-3.33,5.39,;-4.67,6.16,;-4.67,4.62,;-2,6.16,;-.67,5.39,;.8,5.87,;1.7,4.62,;.8,3.37,;-.67,3.85,;2,-3.85,;2,-5.39,;3.33,-6.16,;4.67,-5.39,;4.67,-3.85,;6,-3.08,;3.33,-3.08,)| Show InChI InChI=1S/C24H17ClFN5O4S/c1-34-21-12-17(13-3-2-4-14(26)9-13)19(25)11-18(21)23-16-6-5-15(10-20(16)28-29-24(23)27)36(32,33)31-22-7-8-35-30-22/h2-12H,1H3,(H2,27,29)(H,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of amyloid-beta production in Chinese hamster ovary (CHO) cells expressing human amyloid precursor protein (APP)				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))	BDBM342941 (1-(2-cyano-5-methoxy-3'-(trifluoromethyl)-4-biphen...) Show SMILES COc1cc(-c2cccc(c2)C(F)(F)F)c(cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccon1)C#N Show InChI InChI=1S/C27H17F3N4O4S/c1-37-24-14-22(16-3-2-4-19(11-16)27(28,29)30)18(15-31)13-23(24)26-21-6-5-20(12-17(21)7-9-32-26)39(35,36)34-25-8-10-38-33-25/h2-14H,1H3,(H,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of amyloid-beta production in Chinese hamster ovary (CHO) cells expressing human amyloid precursor protein (APP)				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))	BDBM342904 (1-(2-fluoro-5-methoxy-3'-(trifluoromethyl)-4-biphe...) Show SMILES COc1cc(c(F)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccon1)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C26H17F4N3O4S/c1-36-23-14-20(15-3-2-4-17(11-15)26(28,29)30)22(27)13-21(23)25-19-6-5-18(12-16(19)7-9-31-25)38(34,35)33-24-8-10-37-32-24/h2-14H,1H3,(H,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	36	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
Sodium channel protein type 9 subunit alpha (Mus musculus)	BDBM342904 (1-(2-fluoro-5-methoxy-3'-(trifluoromethyl)-4-biphe...) Show SMILES COc1cc(c(F)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccon1)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C26H17F4N3O4S/c1-36-23-14-20(15-3-2-4-17(11-15)26(28,29)30)22(27)13-21(23)25-19-6-5-18(12-16(19)7-9-31-25)38(34,35)33-24-8-10-37-32-24/h2-14H,1H3,(H,32,33)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of mouse 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
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM342905 (1-(3'-chloro-2-fluoro-5-methoxy-4-biphenylyl)-N-3-...) Show SMILES COc1cc(c(F)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccon1)-c1cccc(Cl)c1 Show InChI InChI=1S/C25H17ClFN3O4S/c1-33-23-14-20(15-3-2-4-17(26)11-15)22(27)13-21(23)25-19-6-5-18(12-16(19)7-9-28-25)35(31,32)30-24-8-10-34-29-24/h2-14H,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	37	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Binding affinity towards rat forebrain nicotinic acetylcholine receptor using [3H]EB as radioligand				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))	BDBM343042 (4-(2-chloro-3'-fluoro-5-methoxy-4-biphenylyl)-N-3-...) Show SMILES COc1cc(c(Cl)cc1-c1ncnc2cc(ccc12)S(=O)(=O)Nc1ccon1)-c1cccc(F)c1 Show InChI InChI=1S/C24H16ClFN4O4S/c1-33-22-12-18(14-3-2-4-15(26)9-14)20(25)11-19(22)24-17-6-5-16(10-21(17)27-13-28-24)35(31,32)30-23-7-8-34-29-23/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	37	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
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM343163 (4-(2-chloro-3'-fluoro-5-methoxy-4-biphenylyl)-N-3-...) Show SMILES COc1cc(c(Cl)cc1-c1c2ccc(cc2cn(C)c1=O)S(=O)(=O)Nc1ccon1)-c1cccc(F)c1 |(-.11,-.1,;1.22,-.87,;2.55,-.1,;2.55,1.44,;3.89,2.21,;5.22,1.44,;6.55,2.21,;5.22,-.1,;3.89,-.87,;3.89,-2.41,;2.55,-3.18,;1.22,-2.41,;-.11,-3.18,;-.11,-4.72,;1.22,-5.49,;2.55,-4.72,;3.89,-5.49,;5.22,-4.72,;6.55,-5.49,;5.22,-3.18,;6.55,-2.41,;-1.45,-5.49,;-2.22,-4.16,;-.68,-6.83,;-2.78,-6.26,;-4.12,-5.49,;-5.52,-6.12,;-6.55,-4.98,;-5.78,-3.64,;-4.28,-3.96,;3.89,3.75,;5.22,4.52,;5.22,6.06,;3.89,6.83,;2.55,6.06,;1.22,6.83,;2.55,4.52,)| Show InChI InChI=1S/C26H19ClFN3O5S/c1-31-14-16-11-18(37(33,34)30-24-8-9-36-29-24)6-7-19(16)25(26(31)32)21-12-22(27)20(13-23(21)35-2)15-4-3-5-17(28)10-15/h3-14H,1-2H3,(H,29,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	39	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
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM342882 (N-3-isoxazolyl-1-(2,3',5'-trifluoro-5-methoxy-4-bi...) Show SMILES COc1cc(c(F)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccon1)-c1cc(F)cc(F)c1 Show InChI InChI=1S/C25H16F3N3O4S/c1-34-23-13-20(15-8-16(26)11-17(27)9-15)22(28)12-21(23)25-19-3-2-18(10-14(19)4-6-29-25)36(32,33)31-24-5-7-35-30-24/h2-13H,1H3,(H,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of amyloid-beta production in Chinese hamster ovary (CHO) cells expressing human amyloid precursor protein (APP)				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))	BDBM343157 (1-(2-chloro-3'-fluoro-5-methoxy-4-biphenylyl)-N-3-...) Show SMILES COc1cc(c(Cl)cc1-c1[nH]c(=O)cc2cc(ccc12)S(=O)(=O)Nc1ccon1)-c1cccc(F)c1 Show InChI InChI=1S/C25H17ClFN3O5S/c1-34-22-13-19(14-3-2-4-16(27)9-14)21(26)12-20(22)25-18-6-5-17(10-15(18)11-24(31)28-25)36(32,33)30-23-7-8-35-29-23/h2-13H,1H3,(H,28,31)(H,29,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	41	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
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
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50237912 (CHEMBL4071034) Show SMILES COc1cc(c(F)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccon1)-c1cccc(C)c1 Show InChI InChI=1S/C26H20FN3O4S/c1-16-4-3-5-17(12-16)21-15-24(33-2)22(14-23(21)27)26-20-7-6-19(13-18(20)8-10-28-26)35(31,32)30-25-9-11-34-29-25/h3-15H,1-2H3,(H,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	47	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of amyloid-beta production in Chinese hamster ovary (CHO) cells expressing human amyloid precursor protein (APP)				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))	BDBM154315 (US9012443, 335) Show SMILES COc1cc(c(Cl)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccon1)-c1cccc(F)c1 Show InChI InChI=1S/C25H17ClFN3O4S/c1-33-23-14-20(15-3-2-4-17(27)11-15)22(26)13-21(23)25-19-6-5-18(12-16(19)7-9-28-25)35(31,32)30-24-8-10-34-29-24/h2-14H,1H3,(H,29,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	49	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
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM342874 (1-(4'-chloro-2-fluoro-5-methoxy-3'-methyl-4-biphen...) Show SMILES COc1cc(c(F)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccon1)-c1ccc(Cl)c(C)c1 Show InChI InChI=1S/C26H19ClFN3O4S/c1-15-11-16(3-6-22(15)27)20-14-24(34-2)21(13-23(20)28)26-19-5-4-18(12-17(19)7-9-29-26)36(32,33)31-25-8-10-35-30-25/h3-14H,1-2H3,(H,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	60	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
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM342894 (N-3-isoxazolyl-1-(3-methoxy-3'-(trifluoromethyl)-4...) Show SMILES COc1cc(ccc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccon1)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C26H18F3N3O4S/c1-35-23-15-17(16-3-2-4-19(13-16)26(27,28)29)5-7-22(23)25-21-8-6-20(14-18(21)9-11-30-25)37(33,34)32-24-10-12-36-31-24/h2-15H,1H3,(H,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	61	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
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM154313 (US9012443, 333) Show SMILES COc1cc(c(Cl)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccncn1)-c1cccc(F)c1 Show InChI InChI=1S/C26H18ClFN4O3S/c1-35-24-14-21(16-3-2-4-18(28)11-16)23(27)13-22(24)26-20-6-5-19(12-17(20)7-10-30-26)36(33,34)32-25-8-9-29-15-31-25/h2-15H,1H3,(H,29,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of amyloid-beta production in Chinese hamster ovary (CHO) cells expressing human amyloid precursor protein (APP)				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))	BDBM342877 (1-(5-fluoro-4-(5-fluoro-2-methoxy-3-pyridinyl)-2-m...) Show SMILES COc1cc(c(F)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccon1)-c1cc(F)cnc1OC Show InChI InChI=1S/C25H18F2N4O5S/c1-34-22-12-18(19-10-15(26)13-29-25(19)35-2)21(27)11-20(22)24-17-4-3-16(9-14(17)5-7-28-24)37(32,33)31-23-6-8-36-30-23/h3-13H,1-2H3,(H,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	68	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
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM343035 (1-(2-chloro-3'-fluoro-5-methoxy-4-biphenylyl)-4-hy...) Show SMILES COc1cc(c(Cl)cc1-c1ncc(O)c2cc(ccc12)S(=O)(=O)Nc1ccon1)-c1cccc(F)c1 Show InChI InChI=1S/C25H17ClFN3O5S/c1-34-23-12-18(14-3-2-4-15(27)9-14)21(26)11-20(23)25-17-6-5-16(10-19(17)22(31)13-28-25)36(32,33)30-24-7-8-35-29-24/h2-13,31H,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	85	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
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM342895 (1-(2-chloro-3'-fluoro-5-methoxy-4-biphenylyl)-N-2-...) Show SMILES COc1cc(c(Cl)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ncccn1)-c1cccc(F)c1 Show InChI InChI=1S/C26H18ClFN4O3S/c1-35-24-15-21(16-4-2-5-18(28)12-16)23(27)14-22(24)25-20-7-6-19(13-17(20)8-11-29-25)36(33,34)32-26-30-9-3-10-31-26/h2-15H,1H3,(H,30,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of amyloid-beta production in Chinese hamster ovary (CHO) cells expressing human amyloid precursor protein (APP)				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))	BDBM343027 (1-(2-chloro-3'-fluoro-5-methoxy-4-biphenylyl)-N-3-...) Show SMILES COc1cc(c(Cl)cc1-c1nn(C)c(=O)c2cc(ccc12)S(=O)(=O)Nc1ccon1)-c1cccc(F)c1 Show InChI InChI=1S/C25H18ClFN4O5S/c1-31-25(32)19-11-16(37(33,34)30-23-8-9-36-29-23)6-7-17(19)24(28-31)20-12-21(26)18(13-22(20)35-2)14-4-3-5-15(27)10-14/h3-13H,1-2H3,(H,29,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of amyloid-beta production in Chinese hamster ovary (CHO) cells expressing human amyloid precursor protein (APP)				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))	BDBM154323 (US9012443, 343) Show SMILES COc1cc(-c2cc(F)cc(F)c2)c(cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccon1)C#N Show InChI InChI=1S/C26H16F2N4O4S/c1-35-24-13-22(16-8-18(27)12-19(28)9-16)17(14-29)11-23(24)26-21-3-2-20(10-15(21)4-6-30-26)37(33,34)32-25-5-7-36-31-25/h2-13H,1H3,(H,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of amyloid-beta production in Chinese hamster ovary (CHO) cells expressing human amyloid precursor protein (APP)				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))	BDBM342909 (1-(2-chloro-3'-fluoro-5-methoxy-4-biphenylyl)-N-3-...) Show SMILES COc1cc(c(Cl)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1cccnn1)-c1cccc(F)c1 Show InChI InChI=1S/C26H18ClFN4O3S/c1-35-24-15-21(16-4-2-5-18(28)12-16)23(27)14-22(24)26-20-8-7-19(13-17(20)9-11-29-26)36(33,34)32-25-6-3-10-30-31-25/h2-15H,1H3,(H,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	140	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
Sodium channel protein type 5 subunit alpha (Homo sapiens (Human))	BDBM343208 (3-amino-4-(2-chloro-3'-fluoro-5-methoxy-4-biphenyl...) Show SMILES COc1cc(c(Cl)cc1-c1c(N)nnc2cc(ccc12)S(=O)(=O)Nc1ccon1)-c1cccc(F)c1 |(.67,1.54,;-.67,.77,;-.67,-.77,;.67,-1.54,;.67,-3.08,;-.67,-3.85,;-.67,-5.39,;-2,-3.08,;-2,-1.54,;-3.33,-.77,;-4.67,-1.54,;-4.67,-3.08,;-6,-.77,;-6,.77,;-4.67,1.54,;-4.67,3.08,;-3.33,3.85,;-2,3.08,;-2,1.54,;-3.33,.77,;-3.33,5.39,;-4.67,6.16,;-4.67,4.62,;-2,6.16,;-.67,5.39,;.8,5.87,;1.7,4.62,;.8,3.37,;-.67,3.85,;2,-3.85,;2,-5.39,;3.33,-6.16,;4.67,-5.39,;4.67,-3.85,;6,-3.08,;3.33,-3.08,)| Show InChI InChI=1S/C24H17ClFN5O4S/c1-34-21-12-17(13-3-2-4-14(26)9-13)19(25)11-18(21)23-16-6-5-15(10-20(16)28-29-24(23)27)36(32,33)31-22-7-8-35-30-22/h2-12H,1H3,(H2,27,29)(H,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human Nav1.5 expressed in HEK293 cells assessed as reduction in peak inward current by ionworks quattro 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
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM154190 (US9012443, 199) Show SMILES COc1cc(ccc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccncn1)-c1cccc(F)c1 Show InChI InChI=1S/C26H19FN4O3S/c1-34-24-15-18(17-3-2-4-20(27)13-17)5-7-23(24)26-22-8-6-21(14-19(22)9-12-29-26)35(32,33)31-25-10-11-28-16-30-25/h2-16H,1H3,(H,28,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	150	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
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM154245 (US9012443, 261) Show SMILES COc1cc(ccc1-c1ncnc2cc(ccc12)S(=O)(=O)Nc1nccs1)C(F)(F)F Show InChI InChI=1S/C19H13F3N4O3S2/c1-29-16-8-11(19(20,21)22)2-4-14(16)17-13-5-3-12(9-15(13)24-10-25-17)31(27,28)26-18-23-6-7-30-18/h2-10H,1H3,(H,23,26)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	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
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM342932 (1-(3',5'-difluoro-3-methoxy-4-biphenylyl)-N-3-isox...) Show SMILES COc1cc(ccc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccon1)-c1cc(F)cc(F)c1 Show InChI InChI=1S/C25H17F2N3O4S/c1-33-23-13-15(17-10-18(26)14-19(27)11-17)2-4-22(23)25-21-5-3-20(12-16(21)6-8-28-25)35(31,32)30-24-7-9-34-29-24/h2-14H,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	170	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
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM343082 (1-(2-chloro-3'-fluoro-5-methoxy-4-biphenylyl)-N-1,...) Show SMILES COc1cc(c(Cl)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ncco1)-c1cccc(F)c1 Show InChI InChI=1S/C25H17ClFN3O4S/c1-33-23-14-20(15-3-2-4-17(27)11-15)22(26)13-21(23)24-19-6-5-18(12-16(19)7-8-28-24)35(31,32)30-25-29-9-10-34-25/h2-14H,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	220	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
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM343152 (1-(2-fluoro-5-methoxy-4'-(trifluoromethyl)-4-biphe...) Show SMILES COc1cc(c(F)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccon1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C26H17F4N3O4S/c1-36-23-14-20(15-2-4-17(5-3-15)26(28,29)30)22(27)13-21(23)25-19-7-6-18(12-16(19)8-10-31-25)38(34,35)33-24-9-11-37-32-24/h2-14H,1H3,(H,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	240	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
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM342904 (1-(2-fluoro-5-methoxy-3'-(trifluoromethyl)-4-biphe...) Show SMILES COc1cc(c(F)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccon1)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C26H17F4N3O4S/c1-36-23-14-20(15-3-2-4-17(11-15)26(28,29)30)22(27)13-21(23)25-19-6-5-18(12-16(19)7-9-31-25)38(34,35)33-24-8-10-37-32-24/h2-14H,1H3,(H,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (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))	BDBM154486 (US9012443, 67) Show SMILES COc1cc(ccc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccncn1)C(F)(F)F Show InChI InChI=1S/C21H15F3N4O3S/c1-31-18-11-14(21(22,23)24)2-4-17(18)20-16-5-3-15(10-13(16)6-9-26-20)32(29,30)28-19-7-8-25-12-27-19/h2-12H,1H3,(H,25,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	730	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of amyloid-beta production in Chinese hamster ovary (CHO) cells expressing human amyloid precursor protein (APP)				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 5 subunit alpha (Homo sapiens (Human))	BDBM343157 (1-(2-chloro-3'-fluoro-5-methoxy-4-biphenylyl)-N-3-...) Show SMILES COc1cc(c(Cl)cc1-c1[nH]c(=O)cc2cc(ccc12)S(=O)(=O)Nc1ccon1)-c1cccc(F)c1 Show InChI InChI=1S/C25H17ClFN3O5S/c1-34-22-13-19(14-3-2-4-16(27)9-14)21(26)12-20(22)25-18-6-5-17(10-15(18)11-24(31)28-25)36(32,33)30-23-7-8-35-29-23/h2-13H,1H3,(H,28,31)(H,29,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	820	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Binding affinity towards rat forebrain nicotinic acetylcholine receptor using [3H]EB as radioligand				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))	BDBM154190 (US9012443, 199) Show SMILES COc1cc(ccc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccncn1)-c1cccc(F)c1 Show InChI InChI=1S/C26H19FN4O3S/c1-34-24-15-18(17-3-2-4-20(27)13-17)5-7-23(24)26-22-8-6-21(14-19(22)9-12-29-26)35(32,33)31-25-10-11-28-16-30-25/h2-16H,1H3,(H,28,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of amyloid-beta production in Chinese hamster ovary (CHO) cells expressing human amyloid precursor protein (APP)				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 5 subunit alpha (Homo sapiens (Human))	BDBM154311 (US9012443, 331) Show SMILES COc1cc(c(Cl)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ncns1)-c1cccc(F)c1 Show InChI InChI=1S/C24H16ClFN4O3S2/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)30-24-28-13-29-34-24/h2-13H,1H3,(H,28,29,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of amyloid-beta production in Chinese hamster ovary (CHO) cells expressing human amyloid precursor protein (APP)				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))	BDBM342904 (1-(2-fluoro-5-methoxy-3'-(trifluoromethyl)-4-biphe...) Show SMILES COc1cc(c(F)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccon1)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C26H17F4N3O4S/c1-36-23-14-20(15-3-2-4-17(11-15)26(28,29)30)22(27)13-21(23)25-19-6-5-18(12-16(19)7-9-31-25)38(34,35)33-24-8-10-37-32-24/h2-14H,1H3,(H,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of amyloid-beta production in Chinese hamster ovary (CHO) cells expressing human amyloid precursor protein (APP)				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 (Rattus norvegicus)	BDBM342904 (1-(2-fluoro-5-methoxy-3'-(trifluoromethyl)-4-biphe...) Show SMILES COc1cc(c(F)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccon1)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C26H17F4N3O4S/c1-36-23-14-20(15-3-2-4-17(11-15)26(28,29)30)22(27)13-21(23)25-19-6-5-18(12-16(19)7-9-31-25)38(34,35)33-24-8-10-37-32-24/h2-14H,1H3,(H,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Binding affinity towards rat forebrain nicotinic acetylcholine receptor using [3H]EB as radioligand				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 3 subunit alpha (Homo sapiens (Human))	BDBM342904 (1-(2-fluoro-5-methoxy-3'-(trifluoromethyl)-4-biphe...) Show SMILES COc1cc(c(F)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccon1)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C26H17F4N3O4S/c1-36-23-14-20(15-3-2-4-17(11-15)26(28,29)30)22(27)13-21(23)25-19-6-5-18(12-16(19)7-9-31-25)38(34,35)33-24-8-10-37-32-24/h2-14H,1H3,(H,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human Nav1.3 expressed in CHO cells assessed as reduction in peak inward current by ionworks quattro 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
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM154486 (US9012443, 67) Show SMILES COc1cc(ccc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccncn1)C(F)(F)F Show InChI InChI=1S/C21H15F3N4O3S/c1-31-18-11-14(21(22,23)24)2-4-17(18)20-16-5-3-15(10-13(16)6-9-26-20)32(29,30)28-19-7-8-25-12-27-19/h2-12H,1H3,(H,25,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.20E+3	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 5 subunit alpha (Homo sapiens (Human))	BDBM343035 (1-(2-chloro-3'-fluoro-5-methoxy-4-biphenylyl)-4-hy...) Show SMILES COc1cc(c(Cl)cc1-c1ncc(O)c2cc(ccc12)S(=O)(=O)Nc1ccon1)-c1cccc(F)c1 Show InChI InChI=1S/C25H17ClFN3O5S/c1-34-23-12-18(14-3-2-4-15(27)9-14)21(26)11-20(23)25-17-6-5-16(10-19(17)22(31)13-28-25)36(32,33)30-24-7-8-35-29-24/h2-13,31H,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 Inhibition of human Nav1.5 expressed in HEK293 cells assessed as reduction in peak inward current by ionworks quattro 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
Sodium channel protein type 5 subunit alpha (Homo sapiens (Human))	BDBM343163 (4-(2-chloro-3'-fluoro-5-methoxy-4-biphenylyl)-N-3-...) Show SMILES COc1cc(c(Cl)cc1-c1c2ccc(cc2cn(C)c1=O)S(=O)(=O)Nc1ccon1)-c1cccc(F)c1 |(-.11,-.1,;1.22,-.87,;2.55,-.1,;2.55,1.44,;3.89,2.21,;5.22,1.44,;6.55,2.21,;5.22,-.1,;3.89,-.87,;3.89,-2.41,;2.55,-3.18,;1.22,-2.41,;-.11,-3.18,;-.11,-4.72,;1.22,-5.49,;2.55,-4.72,;3.89,-5.49,;5.22,-4.72,;6.55,-5.49,;5.22,-3.18,;6.55,-2.41,;-1.45,-5.49,;-2.22,-4.16,;-.68,-6.83,;-2.78,-6.26,;-4.12,-5.49,;-5.52,-6.12,;-6.55,-4.98,;-5.78,-3.64,;-4.28,-3.96,;3.89,3.75,;5.22,4.52,;5.22,6.06,;3.89,6.83,;2.55,6.06,;1.22,6.83,;2.55,4.52,)| Show InChI InChI=1S/C26H19ClFN3O5S/c1-31-14-16-11-18(37(33,34)30-24-8-9-36-29-24)6-7-19(16)25(26(31)32)21-12-22(27)20(13-23(21)35-2)15-4-3-5-17(28)10-15/h3-14H,1-2H3,(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 Binding affinity towards rat forebrain nicotinic acetylcholine receptor using [3H]EB as radioligand				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 5 subunit alpha (Homo sapiens (Human))	BDBM342905 (1-(3'-chloro-2-fluoro-5-methoxy-4-biphenylyl)-N-3-...) Show SMILES COc1cc(c(F)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccon1)-c1cccc(Cl)c1 Show InChI InChI=1S/C25H17ClFN3O4S/c1-33-23-14-20(15-3-2-4-17(26)11-15)22(27)13-21(23)25-19-6-5-18(12-16(19)7-9-28-25)35(31,32)30-24-8-10-34-29-24/h2-14H,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 Inhibition of human Nav1.5 expressed in HEK293 cells assessed as reduction in peak inward current by ionworks quattro 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
Sodium channel protein type 5 subunit alpha (Homo sapiens (Human))	BDBM343152 (1-(2-fluoro-5-methoxy-4'-(trifluoromethyl)-4-biphe...) Show SMILES COc1cc(c(F)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccon1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C26H17F4N3O4S/c1-36-23-14-20(15-2-4-17(5-3-15)26(28,29)30)22(27)13-21(23)25-19-7-6-18(12-16(19)8-10-31-25)38(34,35)33-24-9-11-37-32-24/h2-14H,1H3,(H,32,33)	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 Binding affinity towards rat forebrain nicotinic acetylcholine receptor using [3H]EB as radioligand				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 5 subunit alpha (Homo sapiens (Human))	BDBM342909 (1-(2-chloro-3'-fluoro-5-methoxy-4-biphenylyl)-N-3-...) Show SMILES COc1cc(c(Cl)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1cccnn1)-c1cccc(F)c1 Show InChI InChI=1S/C26H18ClFN4O3S/c1-35-24-15-21(16-4-2-5-18(28)12-16)23(27)14-22(24)26-20-8-7-19(13-17(20)9-11-29-26)36(33,34)32-25-6-3-10-30-31-25/h2-15H,1H3,(H,31,32)	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 Inhibition of human Nav1.5 expressed in HEK293 cells assessed as reduction in peak inward current by ionworks quattro 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
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
Sodium channel protein type 5 subunit alpha (Homo sapiens (Human))	BDBM154315 (US9012443, 335) Show SMILES COc1cc(c(Cl)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccon1)-c1cccc(F)c1 Show InChI InChI=1S/C25H17ClFN3O4S/c1-33-23-14-20(15-3-2-4-17(27)11-15)22(26)13-21(23)25-19-6-5-18(12-16(19)7-9-28-25)35(31,32)30-24-8-10-34-29-24/h2-14H,1H3,(H,29,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human Nav1.5 expressed in HEK293 cells assessed as reduction in peak inward current by ionworks quattro 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
Sodium channel protein type 5 subunit alpha (Homo sapiens (Human))	BDBM343042 (4-(2-chloro-3'-fluoro-5-methoxy-4-biphenylyl)-N-3-...) Show SMILES COc1cc(c(Cl)cc1-c1ncnc2cc(ccc12)S(=O)(=O)Nc1ccon1)-c1cccc(F)c1 Show InChI InChI=1S/C24H16ClFN4O4S/c1-33-22-12-18(14-3-2-4-15(26)9-14)20(25)11-19(22)24-17-6-5-16(10-21(17)27-13-28-24)35(31,32)30-23-7-8-34-29-23/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 Inhibition of human Nav1.5 expressed in HEK293 cells assessed as reduction in peak inward current by ionworks quattro 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
Sodium channel protein type 5 subunit alpha (Homo sapiens (Human))	BDBM342895 (1-(2-chloro-3'-fluoro-5-methoxy-4-biphenylyl)-N-2-...) Show SMILES COc1cc(c(Cl)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ncccn1)-c1cccc(F)c1 Show InChI InChI=1S/C26H18ClFN4O3S/c1-35-24-15-21(16-4-2-5-18(28)12-16)23(27)14-22(24)25-20-7-6-19(13-17(20)8-11-29-25)36(33,34)32-26-30-9-3-10-31-26/h2-15H,1H3,(H,30,31,32)	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 Inhibition of amyloid-beta production in Chinese hamster ovary (CHO) cells expressing human amyloid precursor protein (APP)				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 5 subunit alpha (Homo sapiens (Human))	BDBM343027 (1-(2-chloro-3'-fluoro-5-methoxy-4-biphenylyl)-N-3-...) Show SMILES COc1cc(c(Cl)cc1-c1nn(C)c(=O)c2cc(ccc12)S(=O)(=O)Nc1ccon1)-c1cccc(F)c1 Show InChI InChI=1S/C25H18ClFN4O5S/c1-31-25(32)19-11-16(37(33,34)30-23-8-9-36-29-23)6-7-17(19)24(28-31)20-12-21(26)18(13-22(20)35-2)14-4-3-5-15(27)10-14/h3-13H,1-2H3,(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 Inhibition of amyloid-beta production in Chinese hamster ovary (CHO) cells expressing human amyloid precursor protein (APP)				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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM342904 (1-(2-fluoro-5-methoxy-3'-(trifluoromethyl)-4-biphe...) Show SMILES COc1cc(c(F)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccon1)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C26H17F4N3O4S/c1-36-23-14-20(15-3-2-4-17(11-15)26(28,29)30)22(27)13-21(23)25-19-6-5-18(12-16(19)7-9-31-25)38(34,35)33-24-8-10-37-32-24/h2-14H,1H3,(H,32,33)	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of amyloid-beta production in Chinese hamster ovary (CHO) cells expressing human amyloid precursor protein (APP)				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 5 subunit alpha (Homo sapiens (Human))	BDBM342882 (N-3-isoxazolyl-1-(2,3',5'-trifluoro-5-methoxy-4-bi...) Show SMILES COc1cc(c(F)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccon1)-c1cc(F)cc(F)c1 Show InChI InChI=1S/C25H16F3N3O4S/c1-34-23-13-20(15-8-16(26)11-17(27)9-15)22(28)12-21(23)25-19-3-2-18(10-14(19)4-6-29-25)36(32,33)31-24-5-7-35-30-24/h2-13H,1H3,(H,30,31)	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 Inhibition of amyloid-beta production in Chinese hamster ovary (CHO) cells expressing human amyloid precursor protein (APP)				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

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