Compile Data Set for Download or QSAR

Found 172 hits with Last Name = 'feric bojic' and Initial = 'e'   

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))	BDBM217933 (US9212182, 674) Show SMILES COc1cc(c(F)cc1-n1c2ccc(cc2ccc1=O)S(=O)(=O)Nc1ccon1)-c1ccc(F)c(F)c1 |(-1.33,-5.39,;,-4.62,;1.33,-5.39,;1.33,-6.93,;2.67,-7.7,;4,-6.93,;5.33,-7.7,;4,-5.39,;2.67,-4.62,;2.67,-3.08,;1.33,-2.31,;,-3.08,;-1.33,-2.31,;-1.33,-.77,;;1.33,-.77,;2.67,,;4,-.77,;4,-2.31,;5.33,-3.08,;-2.67,,;-1.9,1.33,;-3.44,-1.33,;-4,.77,;-5.33,,;-5.5,-1.53,;-7,-1.85,;-7.77,-.52,;-6.74,.63,;2.67,-9.24,;1.33,-10.01,;1.33,-11.55,;2.67,-12.32,;2.67,-13.86,;4,-11.55,;5.33,-12.32,;4,-10.01,)| Show InChI InChI=1S/C25H16F3N3O5S/c1-35-23-12-17(14-2-5-18(26)20(28)11-14)19(27)13-22(23)31-21-6-4-16(10-15(21)3-7-25(31)32)37(33,34)30-24-8-9-36-29-24/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	3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Binding affinity towards estrogen receptor alpha by [3H]17-beta-estradiol displacement.				J Med Chem 60: 5990-6017 (2017) Article DOI: 10.1021/acs.jmedchem.6b01850 BindingDB Entry DOI: 10.7270/Q2H1349F
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM217798 (US9212182, 1053) Show SMILES COc1cc(ccc1-n1c2ccc(cc2ccc1=O)S(=O)(=O)Nc1ccon1)-c1cc(ccc1C)C(F)(F)F |(6.67,-5.39,;5.33,-4.62,;4,-5.39,;4,-6.93,;2.67,-7.7,;1.33,-6.93,;1.33,-5.39,;2.67,-4.62,;2.67,-3.08,;1.33,-2.31,;,-3.08,;-1.33,-2.31,;-1.33,-.77,;;1.33,-.77,;2.67,,;4,-.77,;4,-2.31,;5.33,-3.08,;-2.67,,;-1.9,1.33,;-3.44,-1.33,;-4,.77,;-5.33,,;-5.5,-1.53,;-7,-1.85,;-7.77,-.52,;-6.74,.63,;2.67,-9.24,;1.33,-10.01,;1.33,-11.55,;2.67,-12.32,;4,-11.55,;4,-10.01,;5.33,-9.24,;,-12.32,;-1.33,-13.09,;.77,-13.65,;-.77,-10.99,)| Show InChI InChI=1S/C27H20F3N3O5S/c1-16-3-6-19(27(28,29)30)15-21(16)17-4-8-23(24(14-17)37-2)33-22-9-7-20(13-18(22)5-10-26(33)34)39(35,36)32-25-11-12-38-31-25/h3-15H,1-2H3,(H,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	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 at holding potential yielding 20 to 50% inactivation measured after 3 to 5 mins by patchXpress e...				J Med Chem 60: 5990-6017 (2017) Article DOI: 10.1021/acs.jmedchem.6b01850 BindingDB Entry DOI: 10.7270/Q2H1349F
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM217696 (US9212182, 672) Show SMILES COc1cc(ccc1-n1c2ccc(cc2ccc1=O)S(=O)(=O)Nc1ncccn1)-c1cccc(c1)C(F)(F)F |(6.67,-5.39,;5.33,-4.62,;4,-5.39,;4,-6.93,;2.67,-7.7,;1.33,-6.93,;1.33,-5.39,;2.67,-4.62,;2.67,-3.08,;1.33,-2.31,;,-3.08,;-1.33,-2.31,;-1.33,-.77,;;1.33,-.77,;2.67,,;4,-.77,;4,-2.31,;5.33,-3.08,;-2.67,,;-3.44,-1.33,;-1.9,1.33,;-4,.77,;-4,2.31,;-2.67,3.08,;-2.67,4.62,;-4,5.39,;-5.33,4.62,;-5.33,3.08,;2.67,-9.24,;1.33,-10.01,;1.33,-11.55,;2.67,-12.32,;4,-11.55,;4,-10.01,;5.33,-12.32,;6.67,-13.09,;4.56,-13.65,;6.1,-10.99,)| Show InChI InChI=1S/C27H19F3N4O4S/c1-38-24-16-18(17-4-2-5-20(14-17)27(28,29)30)6-9-23(24)34-22-10-8-21(15-19(22)7-11-25(34)35)39(36,37)33-26-31-12-3-13-32-26/h2-16H,1H3,(H,31,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Ability to activate estrogen receptor 2-mediated transcription.				J Med Chem 60: 5990-6017 (2017) Article DOI: 10.1021/acs.jmedchem.6b01850 BindingDB Entry DOI: 10.7270/Q2H1349F
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM217725 (US9212182, 652 | US9212182, 653 | US9212182, 654) Show SMILES COc1cc(c(F)cc1-n1c2ccc(cc2ncc1=O)S(=O)(=O)Nc1ccon1)-c1ccc(Cl)c(C)c1 |(-1.33,-5.39,;,-4.62,;1.33,-5.39,;1.33,-6.93,;2.67,-7.7,;4,-6.93,;5.33,-7.7,;4,-5.39,;2.67,-4.62,;2.67,-3.08,;1.33,-2.31,;,-3.08,;-1.33,-2.31,;-1.33,-.77,;;1.33,-.77,;2.67,,;4,-.77,;4,-2.31,;5.33,-3.08,;-2.67,,;-3.44,-1.33,;-1.9,1.33,;-4,.77,;-4,2.31,;-5.25,3.22,;-4.77,4.68,;-3.23,4.68,;-2.76,3.22,;2.67,-9.24,;1.33,-10.01,;1.33,-11.55,;2.67,-12.32,;2.67,-13.86,;4,-11.55,;5.33,-12.32,;4,-10.01,)| Show InChI InChI=1S/C25H18ClFN4O5S/c1-14-9-15(3-5-18(14)26)17-11-23(35-2)22(12-19(17)27)31-21-6-4-16(10-20(21)28-13-25(31)32)37(33,34)30-24-7-8-36-29-24/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	7	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 at holding potential yielding 20 to 50% inactivation measured after 3 to 5 mins by patchXpress e...				J Med Chem 60: 5990-6017 (2017) Article DOI: 10.1021/acs.jmedchem.6b01850 BindingDB Entry DOI: 10.7270/Q2H1349F
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM217799 (US9212182, 1054) Show SMILES COc1cc(ccc1-n1c2ccc(cc2ccc1=O)S(=O)(=O)Nc1ccon1)-c1ccc(F)c(C)c1 |(6.67,-5.39,;5.33,-4.62,;4,-5.39,;4,-6.93,;2.67,-7.7,;1.33,-6.93,;1.33,-5.39,;2.67,-4.62,;2.67,-3.08,;1.33,-2.31,;,-3.08,;-1.33,-2.31,;-1.33,-.77,;;1.33,-.77,;2.67,,;4,-.77,;4,-2.31,;5.33,-3.08,;-2.67,,;-3.44,-1.33,;-1.9,1.33,;-4,.77,;-4,2.31,;-5.25,3.22,;-4.77,4.68,;-3.23,4.68,;-2.76,3.22,;2.67,-9.24,;1.33,-10.01,;1.33,-11.55,;2.67,-12.32,;2.67,-13.86,;4,-11.55,;5.33,-12.32,;4,-10.01,)| Show InChI InChI=1S/C26H20FN3O5S/c1-16-13-17(3-7-21(16)27)18-4-8-23(24(15-18)34-2)30-22-9-6-20(14-19(22)5-10-26(30)31)36(32,33)29-25-11-12-35-28-25/h3-15H,1-2H3,(H,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	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 at holding potential yielding 20 to 50% inactivation measured after 3 to 5 mins by patchXpress e...				J Med Chem 60: 5990-6017 (2017) Article DOI: 10.1021/acs.jmedchem.6b01850 BindingDB Entry DOI: 10.7270/Q2H1349F
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM217447 (US9212182, 540 | US9212182, 541) Show SMILES COc1cc(c(F)cc1-n1c2ccc(cc2ccc1=O)S(=O)(=O)Nc1ccncn1)-c1cc(F)cc(Cl)c1 |(-1.33,-5.39,;,-4.62,;1.33,-5.39,;1.33,-6.93,;2.67,-7.7,;4,-6.93,;5.33,-7.7,;4,-5.39,;2.67,-4.62,;2.67,-3.08,;1.33,-2.31,;,-3.08,;-1.33,-2.31,;-1.33,-.77,;;1.33,-.77,;2.67,,;4,-.77,;4,-2.31,;5.33,-3.08,;-2.67,,;-3.44,-1.33,;-1.9,1.33,;-4,.77,;-4,2.31,;-2.67,3.08,;-2.67,4.62,;-4,5.39,;-5.33,4.62,;-5.33,3.08,;2.67,-9.24,;1.33,-10.01,;1.33,-11.55,;,-12.32,;2.67,-12.32,;4,-11.55,;5.33,-12.32,;4,-10.01,)| Show InChI InChI=1S/C26H17ClF2N4O4S/c1-37-24-12-20(16-8-17(27)11-18(28)9-16)21(29)13-23(24)33-22-4-3-19(10-15(22)2-5-26(33)34)38(35,36)32-25-6-7-30-14-31-25/h2-14H,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	7.30	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 at holding potential yielding 20 to 50% inactivation measured after 3 to 5 mins by patchXpress e...				J Med Chem 60: 5990-6017 (2017) Article DOI: 10.1021/acs.jmedchem.6b01850 BindingDB Entry DOI: 10.7270/Q2H1349F
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM217465 (US9212182, 457 | US9212182, 458) Show SMILES COc1cc(c(Cl)cc1-n1c2ccc(cc2ccc1=O)S(=O)(=O)Nc1ccon1)-c1cc(F)cc(F)c1 |(-1.33,-5.39,;,-4.62,;1.33,-5.39,;1.33,-6.93,;2.67,-7.7,;4,-6.93,;5.33,-7.7,;4,-5.39,;2.67,-4.62,;2.67,-3.08,;1.33,-2.31,;,-3.08,;-1.33,-2.31,;-1.33,-.77,;;1.33,-.77,;2.67,,;4,-.77,;4,-2.31,;5.33,-3.08,;-2.67,,;-3.44,-1.33,;-1.9,1.33,;-4,.77,;-4,2.31,;-5.25,3.22,;-4.77,4.68,;-3.23,4.68,;-2.76,3.22,;2.67,-9.24,;4,-10.01,;4,-11.55,;5.33,-12.32,;2.67,-12.32,;1.33,-11.55,;,-12.32,;1.33,-10.01,)| Show InChI InChI=1S/C25H16ClF2N3O5S/c1-35-23-12-19(15-8-16(27)11-17(28)9-15)20(26)13-22(23)31-21-4-3-18(10-14(21)2-5-25(31)32)37(33,34)30-24-6-7-36-29-24/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	9	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Binding affinity towards estrogen receptor beta by [3H]17-beta-estradiol displacement.				J Med Chem 60: 5990-6017 (2017) Article DOI: 10.1021/acs.jmedchem.6b01850 BindingDB Entry DOI: 10.7270/Q2H1349F
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM217656 (US9212182, 658) Show SMILES COc1cc(ccc1-n1c2ccc(cc2ccc1=O)S(=O)(=O)Nc1ccncn1)-c1ccc(Cl)c(C)c1 |(6.67,-5.39,;5.33,-4.62,;4,-5.39,;4,-6.93,;2.67,-7.7,;1.33,-6.93,;1.33,-5.39,;2.67,-4.62,;2.67,-3.08,;1.33,-2.31,;,-3.08,;-1.33,-2.31,;-1.33,-.77,;;1.33,-.77,;2.67,,;4,-.77,;4,-2.31,;5.33,-3.08,;-2.67,,;-3.44,-1.33,;-1.9,1.33,;-4,.77,;-4,2.31,;-2.67,3.08,;-2.67,4.62,;-4,5.39,;-5.33,4.62,;-5.33,3.08,;2.67,-9.24,;1.33,-10.01,;1.33,-11.55,;2.67,-12.32,;2.67,-13.86,;4,-11.55,;5.33,-12.32,;4,-10.01,)| Show InChI InChI=1S/C27H21ClN4O4S/c1-17-13-18(3-7-22(17)28)19-4-8-24(25(15-19)36-2)32-23-9-6-21(14-20(23)5-10-27(32)33)37(34,35)31-26-11-12-29-16-30-26/h3-16H,1-2H3,(H,29,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	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 at holding potential yielding 20 to 50% inactivation measured after 3 to 5 mins by patchXpress e...				J Med Chem 60: 5990-6017 (2017) Article DOI: 10.1021/acs.jmedchem.6b01850 BindingDB Entry DOI: 10.7270/Q2H1349F
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM217422 (US9212182, 419 | US9212182, 420) Show SMILES COc1cc(c(C)cc1-n1c2ccc(cc2ccc1=O)S(=O)(=O)Nc1ccon1)-c1cccc(c1)C(F)(F)F |(-1.33,-5.39,;,-4.62,;1.33,-5.39,;1.33,-6.93,;2.67,-7.7,;4,-6.93,;5.33,-7.7,;4,-5.39,;2.67,-4.62,;2.67,-3.08,;1.33,-2.31,;,-3.08,;-1.33,-2.31,;-1.33,-.77,;;1.33,-.77,;2.67,,;4,-.77,;4,-2.31,;5.33,-3.08,;-2.67,,;-1.9,1.33,;-3.44,-1.33,;-4,.77,;-5.33,,;-5.5,-1.53,;-7,-1.85,;-7.77,-.52,;-6.74,.63,;2.67,-9.24,;1.33,-10.01,;1.33,-11.55,;2.67,-12.32,;4,-11.55,;4,-10.01,;5.33,-12.32,;6.67,-13.09,;6.1,-10.99,;4.56,-13.65,)| Show InChI InChI=1S/C27H20F3N3O5S/c1-16-12-23(24(37-2)15-21(16)17-4-3-5-19(13-17)27(28,29)30)33-22-8-7-20(14-18(22)6-9-26(33)34)39(35,36)32-25-10-11-38-31-25/h3-15H,1-2H3,(H,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	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 at holding potential yielding 20 to 50% inactivation measured after 3 to 5 mins by patchXpress e...				J Med Chem 60: 5990-6017 (2017) Article DOI: 10.1021/acs.jmedchem.6b01850 BindingDB Entry DOI: 10.7270/Q2H1349F
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM217481 (US9212182, 469 | US9212182, 470) Show SMILES COc1cc(c(F)cc1-n1c2ccc(cc2ccc1=O)S(=O)(=O)Nc1ccon1)-c1ccc(Cl)c(C)c1 |(-1.33,-5.39,;,-4.62,;1.33,-5.39,;1.33,-6.93,;2.67,-7.7,;4,-6.93,;5.33,-7.7,;4,-5.39,;2.67,-4.62,;2.67,-3.08,;1.33,-2.31,;,-3.08,;-1.33,-2.31,;-1.33,-.77,;;1.33,-.77,;2.67,,;4,-.77,;4,-2.31,;5.33,-3.08,;-2.67,,;-3.44,-1.33,;-1.9,1.33,;-4,.77,;-4,2.31,;-5.25,3.22,;-4.77,4.68,;-3.23,4.68,;-2.76,3.22,;2.67,-9.24,;1.33,-10.01,;1.33,-11.55,;2.67,-12.32,;2.67,-13.86,;4,-11.55,;5.33,-12.32,;4,-10.01,)| Show InChI InChI=1S/C26H19ClFN3O5S/c1-15-11-16(3-6-20(15)27)19-13-24(35-2)23(14-21(19)28)31-22-7-5-18(12-17(22)4-8-26(31)32)37(33,34)30-25-9-10-36-29-25/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	10	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 at holding potential yielding 20 to 50% inactivation measured after 3 to 5 mins by patchXpress e...				J Med Chem 60: 5990-6017 (2017) Article DOI: 10.1021/acs.jmedchem.6b01850 BindingDB Entry DOI: 10.7270/Q2H1349F
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM217457 (US9212182, 475 | US9212182, 476) Show SMILES COc1cc(c(F)cc1-n1c2ccc(cc2ccc1=O)S(=O)(=O)Nc1ccon1)-c1cccc(Cl)c1 |(-1.33,-5.39,;,-4.62,;1.33,-5.39,;1.33,-6.93,;2.67,-7.7,;4,-6.93,;5.33,-7.7,;4,-5.39,;2.67,-4.62,;2.67,-3.08,;1.33,-2.31,;,-3.08,;-1.33,-2.31,;-1.33,-.77,;;1.33,-.77,;2.67,,;4,-.77,;4,-2.31,;5.33,-3.08,;-2.67,,;-3.44,-1.33,;-1.9,1.33,;-4,.77,;-4,2.31,;-5.25,3.22,;-4.77,4.68,;-3.23,4.68,;-2.76,3.22,;2.67,-9.24,;1.33,-10.01,;1.33,-11.55,;2.67,-12.32,;4,-11.55,;5.33,-12.32,;4,-10.01,)| Show InChI InChI=1S/C25H17ClFN3O5S/c1-34-23-13-19(15-3-2-4-17(26)11-15)20(27)14-22(23)30-21-7-6-18(12-16(21)5-8-25(30)31)36(32,33)29-24-9-10-35-28-24/h2-14H,1H3,(H,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Compound was tested for binding affinity towards Opioid receptor mu 1 by displacing [3H]DAGO radioligand in rat brain P2 synaptosomes membranes.				J Med Chem 60: 5990-6017 (2017) Article DOI: 10.1021/acs.jmedchem.6b01850 BindingDB Entry DOI: 10.7270/Q2H1349F
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM217548 (US9212182, 512 | US9212182, 513) Show SMILES COc1cc(c(F)cc1-n1c2ccc(cc2ccc1=O)S(=O)(=O)Nc1ccon1)-c1ccc(F)c(C)c1 |(-1.33,-5.39,;,-4.62,;1.33,-5.39,;1.33,-6.93,;2.67,-7.7,;4,-6.93,;5.33,-7.7,;4,-5.39,;2.67,-4.62,;2.67,-3.08,;1.33,-2.31,;,-3.08,;-1.33,-2.31,;-1.33,-.77,;;1.33,-.77,;2.67,,;4,-.77,;4,-2.31,;5.33,-3.08,;-2.67,,;-3.44,-1.33,;-1.9,1.33,;-4,.77,;-4,2.31,;-5.25,3.22,;-4.77,4.68,;-3.23,4.68,;-2.76,3.22,;2.67,-9.24,;1.33,-10.01,;1.33,-11.55,;2.67,-12.32,;2.67,-13.86,;4,-11.55,;5.33,-12.32,;4,-10.01,)| Show InChI InChI=1S/C26H19F2N3O5S/c1-15-11-16(3-6-20(15)27)19-13-24(35-2)23(14-21(19)28)31-22-7-5-18(12-17(22)4-8-26(31)32)37(33,34)30-25-9-10-36-29-25/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	11	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 at holding potential yielding 20 to 50% inactivation measured after 3 to 5 mins by patchXpress e...				J Med Chem 60: 5990-6017 (2017) Article DOI: 10.1021/acs.jmedchem.6b01850 BindingDB Entry DOI: 10.7270/Q2H1349F
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM217758 (US9212182, 696) Show SMILES COc1cc(c(F)cc1-n1c2ccc(cc2ccc1=O)S(=O)(=O)Nc1ncccn1)-c1ccc(Cl)c(C)c1 |(-1.33,-5.39,;,-4.62,;1.33,-5.39,;1.33,-6.93,;2.67,-7.7,;4,-6.93,;5.33,-7.7,;4,-5.39,;2.67,-4.62,;2.67,-3.08,;1.33,-2.31,;,-3.08,;-1.33,-2.31,;-1.33,-.77,;;1.33,-.77,;2.67,,;4,-.77,;4,-2.31,;5.33,-3.08,;-2.67,,;-3.44,-1.33,;-1.9,1.33,;-4,.77,;-4,2.31,;-2.67,3.08,;-2.67,4.62,;-4,5.39,;-5.33,4.62,;-5.33,3.08,;2.67,-9.24,;1.33,-10.01,;1.33,-11.55,;2.67,-12.32,;2.67,-13.86,;4,-11.55,;5.33,-12.32,;4,-10.01,)| Show InChI InChI=1S/C27H20ClFN4O4S/c1-16-12-17(4-7-21(16)28)20-14-25(37-2)24(15-22(20)29)33-23-8-6-19(13-18(23)5-9-26(33)34)38(35,36)32-27-30-10-3-11-31-27/h3-15H,1-2H3,(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	12	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 at holding potential yielding 20 to 50% inactivation measured after 3 to 5 mins by patchXpress e...				J Med Chem 60: 5990-6017 (2017) Article DOI: 10.1021/acs.jmedchem.6b01850 BindingDB Entry DOI: 10.7270/Q2H1349F
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50237989 (CHEMBL4084372) Show SMILES COc1cc(c(C)cc1-n1c2ccc(cc2ccc1=O)S(=O)(=O)Nc1ccon1)-c1ccc(F)c(C)c1 |(45.59,-10.99,;44.26,-11.77,;44.27,-13.31,;45.6,-14.07,;45.61,-15.62,;44.28,-16.39,;44.29,-17.93,;42.95,-15.63,;42.94,-14.09,;41.61,-13.33,;41.6,-11.78,;42.92,-11.01,;42.92,-9.48,;41.58,-8.72,;40.26,-9.49,;40.27,-11.01,;38.94,-11.78,;38.94,-13.33,;40.27,-14.1,;40.27,-15.64,;41.57,-7.17,;40.08,-6.77,;41.17,-5.68,;42.9,-6.4,;42.9,-4.86,;41.65,-3.96,;42.13,-2.49,;43.67,-2.49,;44.15,-3.96,;46.95,-16.38,;46.96,-17.92,;48.29,-18.69,;49.62,-17.91,;50.96,-18.67,;49.61,-16.36,;50.94,-15.58,;48.27,-15.61,)| Show InChI InChI=1S/C27H22FN3O5S/c1-16-13-24(25(35-3)15-21(16)18-4-7-22(28)17(2)12-18)31-23-8-6-20(14-19(23)5-9-27(31)32)37(33,34)30-26-10-11-36-29-26/h4-15H,1-3H3,(H,29,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	12	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 at holding potential yielding 20 to 50% inactivation measured after 3 to 5 mins by patchXpress e...				J Med Chem 60: 5990-6017 (2017) Article DOI: 10.1021/acs.jmedchem.6b01850 BindingDB Entry DOI: 10.7270/Q2H1349F
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM217829 (US9212182, 691) Show SMILES COc1cc(c(F)cc1-n1c2ccc(cc2ccc1=O)S(=O)(=O)Nc1cnccn1)-c1ccc(Cl)c(C)c1 |(-1.33,-5.39,;,-4.62,;1.33,-5.39,;1.33,-6.93,;2.67,-7.7,;4,-6.93,;5.33,-7.7,;4,-5.39,;2.67,-4.62,;2.67,-3.08,;1.33,-2.31,;,-3.08,;-1.33,-2.31,;-1.33,-.77,;;1.33,-.77,;2.67,,;4,-.77,;4,-2.31,;5.33,-3.08,;-2.67,,;-3.44,-1.33,;-1.9,1.33,;-4,.77,;-4,2.31,;-2.67,3.08,;-2.67,4.62,;-4,5.39,;-5.33,4.62,;-5.33,3.08,;2.67,-9.24,;1.33,-10.01,;1.33,-11.55,;2.67,-12.32,;2.67,-13.86,;4,-11.55,;5.33,-12.32,;4,-10.01,)| Show InChI InChI=1S/C27H20ClFN4O4S/c1-16-11-17(3-6-21(16)28)20-13-25(37-2)24(14-22(20)29)33-23-7-5-19(12-18(23)4-8-27(33)34)38(35,36)32-26-15-30-9-10-31-26/h3-15H,1-2H3,(H,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	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 at holding potential yielding 20 to 50% inactivation measured after 3 to 5 mins by patchXpress e...				J Med Chem 60: 5990-6017 (2017) Article DOI: 10.1021/acs.jmedchem.6b01850 BindingDB Entry DOI: 10.7270/Q2H1349F
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM217817 (US9212182, 683) Show SMILES COc1cc(ccc1-n1c2ccc(cc2ccc1=O)S(=O)(=O)Nc1ncccn1)-c1ccc(Cl)c(C)c1 |(6.67,-5.39,;5.33,-4.62,;4,-5.39,;4,-6.93,;2.67,-7.7,;1.33,-6.93,;1.33,-5.39,;2.67,-4.62,;2.67,-3.08,;1.33,-2.31,;,-3.08,;-1.33,-2.31,;-1.33,-.77,;;1.33,-.77,;2.67,,;4,-.77,;4,-2.31,;5.33,-3.08,;-2.67,,;-3.44,-1.33,;-1.9,1.33,;-4,.77,;-4,2.31,;-2.67,3.08,;-2.67,4.62,;-4,5.39,;-5.33,4.62,;-5.33,3.08,;2.67,-9.24,;1.33,-10.01,;1.33,-11.55,;2.67,-12.32,;2.67,-13.86,;4,-11.55,;5.33,-12.32,;4,-10.01,)| Show InChI InChI=1S/C27H21ClN4O4S/c1-17-14-18(4-8-22(17)28)19-5-9-24(25(16-19)36-2)32-23-10-7-21(15-20(23)6-11-26(32)33)37(34,35)31-27-29-12-3-13-30-27/h3-16H,1-2H3,(H,29,30,31)	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 Binding affinity towards estrogen receptor alpha by [3H]17-beta-estradiol displacement.				J Med Chem 60: 5990-6017 (2017) Article DOI: 10.1021/acs.jmedchem.6b01850 BindingDB Entry DOI: 10.7270/Q2H1349F
					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	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))	BDBM217517 (US9212182, 363 | US9212182, 364) Show SMILES COc1cc(c(F)cc1-n1c2ccc(cc2ccc1=O)S(=O)(=O)Nc1ccon1)-c1cc(F)cc(F)c1 |(-1.33,-5.39,;,-4.62,;1.33,-5.39,;1.33,-6.93,;2.67,-7.7,;4,-6.93,;5.33,-7.7,;4,-5.39,;2.67,-4.62,;2.67,-3.08,;1.33,-2.31,;,-3.08,;-1.33,-2.31,;-1.33,-.77,;;1.33,-.77,;2.67,,;4,-.77,;4,-2.31,;5.33,-3.08,;-2.67,,;-1.9,1.33,;-3.44,-1.33,;-4,.77,;-5.33,,;-5.5,-1.53,;-7,-1.85,;-7.77,-.52,;-6.74,.63,;2.67,-9.24,;4,-10.01,;4,-11.55,;5.33,-12.32,;2.67,-12.32,;1.33,-11.55,;,-12.32,;1.33,-10.01,)| Show InChI InChI=1S/C25H16F3N3O5S/c1-35-23-12-19(15-8-16(26)11-17(27)9-15)20(28)13-22(23)31-21-4-3-18(10-14(21)2-5-25(31)32)37(33,34)30-24-6-7-36-29-24/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	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 at holding potential yielding 20 to 50% inactivation measured after 3 to 5 mins by patchXpress e...				J Med Chem 60: 5990-6017 (2017) Article DOI: 10.1021/acs.jmedchem.6b01850 BindingDB Entry DOI: 10.7270/Q2H1349F
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM217889 (US9212182, 632) Show SMILES COc1cc(c(F)cc1-n1c2ccc(cc2ccc1=O)S(=O)(=O)Nc1ccon1)-c1cccc(OC(F)F)c1 |(-1.33,-5.39,;,-4.62,;1.33,-5.39,;1.33,-6.93,;2.67,-7.7,;4,-6.93,;5.33,-7.7,;4,-5.39,;2.67,-4.62,;2.67,-3.08,;1.33,-2.31,;,-3.08,;-1.33,-2.31,;-1.33,-.77,;;1.33,-.77,;2.67,,;4,-.77,;4,-2.31,;5.33,-3.08,;-2.67,,;-3.44,-1.33,;-1.9,1.33,;-4,.77,;-4,2.31,;-5.25,3.22,;-4.77,4.68,;-3.23,4.68,;-2.76,3.22,;2.67,-9.24,;1.33,-10.01,;1.33,-11.55,;2.67,-12.32,;4,-11.55,;5.33,-12.32,;5.33,-13.86,;6.67,-14.63,;4,-14.63,;4,-10.01,)| Show InChI InChI=1S/C26H18F3N3O6S/c1-36-23-13-19(15-3-2-4-17(11-15)38-26(28)29)20(27)14-22(23)32-21-7-6-18(12-16(21)5-8-25(32)33)39(34,35)31-24-9-10-37-30-24/h2-14,26H,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	18	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Binding affinity towards estrogen receptor beta by [3H]17-beta-estradiol displacement.				J Med Chem 60: 5990-6017 (2017) Article DOI: 10.1021/acs.jmedchem.6b01850 BindingDB Entry DOI: 10.7270/Q2H1349F
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM217872 (US9212182, 673) Show SMILES COc1cc(c(F)cc1-n1c2ccc(cc2ccc1=O)S(=O)(=O)Nc1ccon1)-c1ccc(cc1)C(F)(F)F |(-1.33,-5.39,;,-4.62,;1.33,-5.39,;1.33,-6.93,;2.67,-7.7,;4,-6.93,;5.33,-7.7,;4,-5.39,;2.67,-4.62,;2.67,-3.08,;1.33,-2.31,;,-3.08,;-1.33,-2.31,;-1.33,-.77,;;1.33,-.77,;2.67,,;4,-.77,;4,-2.31,;5.33,-3.08,;-2.67,,;-3.44,-1.33,;-1.9,1.33,;-4,.77,;-4,2.31,;-5.25,3.22,;-4.77,4.68,;-3.23,4.68,;-2.76,3.22,;2.67,-9.24,;4,-10.01,;4,-11.55,;2.67,-12.32,;1.33,-11.55,;1.33,-10.01,;2.67,-13.86,;2.67,-15.4,;1.13,-13.86,;4.21,-13.86,)| Show InChI InChI=1S/C26H17F4N3O5S/c1-37-23-13-19(15-2-5-17(6-3-15)26(28,29)30)20(27)14-22(23)33-21-8-7-18(12-16(21)4-9-25(33)34)39(35,36)32-24-10-11-38-31-24/h2-14H,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	19	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Ability to activate estrogen receptor 1-mediated transcription.				J Med Chem 60: 5990-6017 (2017) Article DOI: 10.1021/acs.jmedchem.6b01850 BindingDB Entry DOI: 10.7270/Q2H1349F
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM217696 (US9212182, 672) Show SMILES COc1cc(ccc1-n1c2ccc(cc2ccc1=O)S(=O)(=O)Nc1ncccn1)-c1cccc(c1)C(F)(F)F |(6.67,-5.39,;5.33,-4.62,;4,-5.39,;4,-6.93,;2.67,-7.7,;1.33,-6.93,;1.33,-5.39,;2.67,-4.62,;2.67,-3.08,;1.33,-2.31,;,-3.08,;-1.33,-2.31,;-1.33,-.77,;;1.33,-.77,;2.67,,;4,-.77,;4,-2.31,;5.33,-3.08,;-2.67,,;-3.44,-1.33,;-1.9,1.33,;-4,.77,;-4,2.31,;-2.67,3.08,;-2.67,4.62,;-4,5.39,;-5.33,4.62,;-5.33,3.08,;2.67,-9.24,;1.33,-10.01,;1.33,-11.55,;2.67,-12.32,;4,-11.55,;4,-10.01,;5.33,-12.32,;6.67,-13.09,;4.56,-13.65,;6.1,-10.99,)| Show InChI InChI=1S/C27H19F3N4O4S/c1-38-24-16-18(17-4-2-5-20(14-17)27(28,29)30)6-9-23(24)34-22-10-8-21(15-19(22)7-11-25(34)35)39(36,37)33-26-31-12-3-13-32-26/h2-16H,1H3,(H,31,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	21	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 at holding potential yielding 20 to 50% inactivation measured after 3 to 5 mins by patchXpress e...				J Med Chem 60: 5990-6017 (2017) Article DOI: 10.1021/acs.jmedchem.6b01850 BindingDB Entry DOI: 10.7270/Q2H1349F
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM217431 (US9212182, 423 | US9212182, 424) Show SMILES COc1cc(c(C)cc1-n1c2ccc(cc2ccc1=O)S(=O)(=O)Nc1ccon1)-c1cc(F)cc(F)c1 |(-1.33,-5.39,;,-4.62,;1.33,-5.39,;1.33,-6.93,;2.67,-7.7,;4,-6.93,;5.33,-7.7,;4,-5.39,;2.67,-4.62,;2.67,-3.08,;1.33,-2.31,;,-3.08,;-1.33,-2.31,;-1.33,-.77,;;1.33,-.77,;2.67,,;4,-.77,;4,-2.31,;5.33,-3.08,;-2.67,,;-3.44,-1.33,;-1.9,1.33,;-4,.77,;-4,2.31,;-5.25,3.22,;-4.77,4.68,;-3.23,4.68,;-2.76,3.22,;2.67,-9.24,;4,-10.01,;4,-11.55,;5.33,-12.32,;2.67,-12.32,;1.33,-11.55,;,-12.32,;1.33,-10.01,)| Show InChI InChI=1S/C26H19F2N3O5S/c1-15-9-23(24(35-2)14-21(15)17-10-18(27)13-19(28)11-17)31-22-5-4-20(12-16(22)3-6-26(31)32)37(33,34)30-25-7-8-36-29-25/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	22	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Ability to activate estrogen receptor 2-mediated transcription.				J Med Chem 60: 5990-6017 (2017) Article DOI: 10.1021/acs.jmedchem.6b01850 BindingDB Entry DOI: 10.7270/Q2H1349F
					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))	BDBM217435 (US9212182, 323 | US9212182, 324) Show SMILES COc1cc(ccc1-n1c2ccc(cc2ccc1=O)S(=O)(=O)Nc1ccon1)-c1cccc(c1)C(F)(F)F |(6.67,-5.39,;5.33,-4.62,;4,-5.39,;4,-6.93,;2.67,-7.7,;1.33,-6.93,;1.33,-5.39,;2.67,-4.62,;2.67,-3.08,;1.33,-2.31,;,-3.08,;-1.33,-2.31,;-1.33,-.77,;;1.33,-.77,;2.67,,;4,-.77,;4,-2.31,;5.33,-3.08,;-2.67,,;-1.9,1.33,;-3.44,-1.33,;-4,.77,;-5.33,,;-5.5,-1.53,;-7,-1.85,;-7.77,-.52,;-6.74,.63,;2.67,-9.24,;1.33,-10.01,;1.33,-11.55,;2.67,-12.32,;4,-11.55,;4,-10.01,;5.33,-12.32,;6.67,-13.09,;6.1,-10.99,;4.56,-13.65,)| Show InChI InChI=1S/C26H18F3N3O5S/c1-36-23-15-17(16-3-2-4-19(13-16)26(27,28)29)5-8-22(23)32-21-9-7-20(14-18(21)6-10-25(32)33)38(34,35)31-24-11-12-37-30-24/h2-15H,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	23	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Ability to activate estrogen receptor 2-mediated transcription.				J Med Chem 60: 5990-6017 (2017) Article DOI: 10.1021/acs.jmedchem.6b01850 BindingDB Entry DOI: 10.7270/Q2H1349F
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM217819 (US9212182, 685) Show SMILES COc1cc(ccc1Cl)-c1cc(OC)c(cc1F)-n1c2ccc(cc2ccc1=O)S(=O)(=O)Nc1ncccn1 |(6.67,-11.55,;5.33,-12.32,;4,-11.55,;4,-10.01,;2.67,-9.24,;1.33,-10.01,;1.33,-11.55,;2.67,-12.32,;2.67,-13.86,;2.67,-7.7,;1.33,-6.93,;1.33,-5.39,;,-4.62,;-1.33,-5.39,;2.67,-4.62,;4,-5.39,;4,-6.93,;5.33,-7.7,;2.67,-3.08,;1.33,-2.31,;,-3.08,;-1.33,-2.31,;-1.33,-.77,;;1.33,-.77,;2.67,,;4,-.77,;4,-2.31,;5.33,-3.08,;-2.67,,;-3.44,-1.33,;-1.9,1.33,;-4,.77,;-4,2.31,;-2.67,3.08,;-2.67,4.62,;-4,5.39,;-5.33,4.62,;-5.33,3.08,)| Show InChI InChI=1S/C27H20ClFN4O5S/c1-37-24-13-16(4-7-20(24)28)19-14-25(38-2)23(15-21(19)29)33-22-8-6-18(12-17(22)5-9-26(33)34)39(35,36)32-27-30-10-3-11-31-27/h3-15H,1-2H3,(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	26	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 at holding potential yielding 20 to 50% inactivation measured after 3 to 5 mins by patchXpress e...				J Med Chem 60: 5990-6017 (2017) Article DOI: 10.1021/acs.jmedchem.6b01850 BindingDB Entry DOI: 10.7270/Q2H1349F
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM217426 (US9212182, 359 | US9212182, 360) Show SMILES COc1cc(c(F)cc1-n1c2ccc(cc2ccc1=O)S(=O)(=O)Nc1ccon1)-c1cccc(c1)C(F)(F)F |(-1.33,-5.39,;,-4.62,;1.33,-5.39,;1.33,-6.93,;2.67,-7.7,;4,-6.93,;5.33,-7.7,;4,-5.39,;2.67,-4.62,;2.67,-3.08,;1.33,-2.31,;,-3.08,;-1.33,-2.31,;-1.33,-.77,;;1.33,-.77,;2.67,,;4,-.77,;4,-2.31,;5.33,-3.08,;-2.67,,;-3.44,-1.33,;-1.9,1.33,;-4,.77,;-4,2.31,;-5.25,3.22,;-4.77,4.68,;-3.23,4.68,;-2.76,3.22,;2.67,-9.24,;1.33,-10.01,;1.33,-11.55,;2.67,-12.32,;4,-11.55,;4,-10.01,;5.33,-12.32,;6.67,-13.09,;4.56,-13.65,;6.1,-10.99,)| Show InChI InChI=1S/C26H17F4N3O5S/c1-37-23-13-19(15-3-2-4-17(11-15)26(28,29)30)20(27)14-22(23)33-21-7-6-18(12-16(21)5-8-25(33)34)39(35,36)32-24-9-10-38-31-24/h2-14H,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	26	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Binding affinity towards estrogen receptor alpha by [3H]17-beta-estradiol displacement.				J Med Chem 60: 5990-6017 (2017) Article DOI: 10.1021/acs.jmedchem.6b01850 BindingDB Entry DOI: 10.7270/Q2H1349F
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM217426 (US9212182, 359 | US9212182, 360) Show SMILES COc1cc(c(F)cc1-n1c2ccc(cc2ccc1=O)S(=O)(=O)Nc1ccon1)-c1cccc(c1)C(F)(F)F |(-1.33,-5.39,;,-4.62,;1.33,-5.39,;1.33,-6.93,;2.67,-7.7,;4,-6.93,;5.33,-7.7,;4,-5.39,;2.67,-4.62,;2.67,-3.08,;1.33,-2.31,;,-3.08,;-1.33,-2.31,;-1.33,-.77,;;1.33,-.77,;2.67,,;4,-.77,;4,-2.31,;5.33,-3.08,;-2.67,,;-3.44,-1.33,;-1.9,1.33,;-4,.77,;-4,2.31,;-5.25,3.22,;-4.77,4.68,;-3.23,4.68,;-2.76,3.22,;2.67,-9.24,;1.33,-10.01,;1.33,-11.55,;2.67,-12.32,;4,-11.55,;4,-10.01,;5.33,-12.32,;6.67,-13.09,;4.56,-13.65,;6.1,-10.99,)| Show InChI InChI=1S/C26H17F4N3O5S/c1-37-23-13-19(15-3-2-4-17(11-15)26(28,29)30)20(27)14-22(23)33-21-7-6-18(12-16(21)5-8-25(33)34)39(35,36)32-24-9-10-38-31-24/h2-14H,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	26	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Binding affinity towards estrogen receptor beta by [3H]17-beta-estradiol displacement.				J Med Chem 60: 5990-6017 (2017) Article DOI: 10.1021/acs.jmedchem.6b01850 BindingDB Entry DOI: 10.7270/Q2H1349F
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM217818 (US9212182, 684) Show SMILES COc1cc(ccc1-n1c2ccc(cc2ccc1=O)S(=O)(=O)Nc1ccon1)-c1cc(F)cc(F)c1 |(6.67,-5.39,;5.33,-4.62,;4,-5.39,;4,-6.93,;2.67,-7.7,;1.33,-6.93,;1.33,-5.39,;2.67,-4.62,;2.67,-3.08,;1.33,-2.31,;,-3.08,;-1.33,-2.31,;-1.33,-.77,;;1.33,-.77,;2.67,,;4,-.77,;4,-2.31,;5.33,-3.08,;-2.67,,;-3.44,-1.33,;-1.9,1.33,;-4,.77,;-4,2.31,;-5.25,3.22,;-4.77,4.68,;-3.23,4.68,;-2.76,3.22,;2.67,-9.24,;4,-10.01,;4,-11.55,;5.33,-12.32,;2.67,-12.32,;1.33,-11.55,;,-12.32,;1.33,-10.01,)| Show InChI InChI=1S/C25H17F2N3O5S/c1-34-23-13-15(17-10-18(26)14-19(27)11-17)2-5-22(23)30-21-6-4-20(12-16(21)3-7-25(30)31)36(32,33)29-24-8-9-35-28-24/h2-14H,1H3,(H,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	27	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 at holding potential yielding 20 to 50% inactivation measured after 3 to 5 mins by patchXpress e...				J Med Chem 60: 5990-6017 (2017) Article DOI: 10.1021/acs.jmedchem.6b01850 BindingDB Entry DOI: 10.7270/Q2H1349F
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM342945 (1-(2,3''-difluoro-5-methoxy-4-biphenylyl)-N-3-isox...) Show SMILES COc1cc(c(F)cc1-n1c2ccc(cc2ccc1=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,;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/C25H17F2N3O5S/c1-34-23-13-19(15-3-2-4-17(26)11-15)20(27)14-22(23)30-21-7-6-18(12-16(21)5-8-25(30)31)36(32,33)29-24-9-10-35-28-24/h2-14H,1H3,(H,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	27	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 at holding potential yielding 20 to 50% inactivation measured after 3 to 5 mins by patchXpress e...				J Med Chem 60: 5990-6017 (2017) Article DOI: 10.1021/acs.jmedchem.6b01850 BindingDB Entry DOI: 10.7270/Q2H1349F
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM342945 (1-(2,3''-difluoro-5-methoxy-4-biphenylyl)-N-3-isox...) Show SMILES COc1cc(c(F)cc1-n1c2ccc(cc2ccc1=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,;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/C25H17F2N3O5S/c1-34-23-13-19(15-3-2-4-17(26)11-15)20(27)14-22(23)30-21-7-6-18(12-16(21)5-8-25(30)31)36(32,33)29-24-9-10-35-28-24/h2-14H,1H3,(H,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	27	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 at holding potential yielding 20 to 50% inactivation measured after 3 to 5 mins by patchXpress e...				J Med Chem 60: 5990-6017 (2017) Article DOI: 10.1021/acs.jmedchem.6b01850 BindingDB Entry DOI: 10.7270/Q2H1349F
					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))	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 (Mus musculus)	BDBM217696 (US9212182, 672) Show SMILES COc1cc(ccc1-n1c2ccc(cc2ccc1=O)S(=O)(=O)Nc1ncccn1)-c1cccc(c1)C(F)(F)F |(6.67,-5.39,;5.33,-4.62,;4,-5.39,;4,-6.93,;2.67,-7.7,;1.33,-6.93,;1.33,-5.39,;2.67,-4.62,;2.67,-3.08,;1.33,-2.31,;,-3.08,;-1.33,-2.31,;-1.33,-.77,;;1.33,-.77,;2.67,,;4,-.77,;4,-2.31,;5.33,-3.08,;-2.67,,;-3.44,-1.33,;-1.9,1.33,;-4,.77,;-4,2.31,;-2.67,3.08,;-2.67,4.62,;-4,5.39,;-5.33,4.62,;-5.33,3.08,;2.67,-9.24,;1.33,-10.01,;1.33,-11.55,;2.67,-12.32,;4,-11.55,;4,-10.01,;5.33,-12.32,;6.67,-13.09,;4.56,-13.65,;6.1,-10.99,)| Show InChI InChI=1S/C27H19F3N4O4S/c1-38-24-16-18(17-4-2-5-20(14-17)27(28,29)30)6-9-23(24)34-22-10-8-21(15-19(22)7-11-25(34)35)39(36,37)33-26-31-12-3-13-32-26/h2-16H,1H3,(H,31,32,33)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	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 measured after 3 to 5 mins by patchXpress electrophysiology assay				J Med Chem 60: 5990-6017 (2017) Article DOI: 10.1021/acs.jmedchem.6b01850 BindingDB Entry DOI: 10.7270/Q2H1349F
					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))	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))	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))	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))	BDBM342945 (1-(2,3''-difluoro-5-methoxy-4-biphenylyl)-N-3-isox...) Show SMILES COc1cc(c(F)cc1-n1c2ccc(cc2ccc1=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,;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/C25H17F2N3O5S/c1-34-23-13-19(15-3-2-4-17(26)11-15)20(27)14-22(23)30-21-7-6-18(12-16(21)5-8-25(30)31)36(32,33)29-24-9-10-35-28-24/h2-14H,1H3,(H,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	59	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 at holding potential yielding 20 to 50% inactivation measured after 3 to 5 mins by patchXpress e...				J Med Chem 60: 5990-6017 (2017) Article DOI: 10.1021/acs.jmedchem.6b01850 BindingDB Entry DOI: 10.7270/Q2H1349F
					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))	BDBM217701 (US9212182, 955) Show SMILES COc1cc(c(F)cc1-n1c2ccc(cc2ccc1=O)S(=O)(=O)Nc1ccon1)-c1ccccc1C(F)(F)F |(-1.33,-5.39,;,-4.62,;1.33,-5.39,;1.33,-6.93,;2.67,-7.7,;4,-6.93,;5.33,-7.7,;4,-5.39,;2.67,-4.62,;2.67,-3.08,;1.33,-2.31,;,-3.08,;-1.33,-2.31,;-1.33,-.77,;;1.33,-.77,;2.67,,;4,-.77,;4,-2.31,;5.33,-3.08,;-2.67,,;-3.44,-1.33,;-1.9,1.33,;-4,.77,;-5.33,,;-5.5,-1.53,;-7,-1.85,;-7.77,-.52,;-6.74,.63,;2.67,-9.24,;4,-10.01,;4,-11.55,;2.67,-12.32,;1.33,-11.55,;1.33,-10.01,;,-9.24,;-1.33,-8.47,;-.77,-10.57,;.77,-7.91,)| Show InChI InChI=1S/C26H17F4N3O5S/c1-37-23-13-18(17-4-2-3-5-19(17)26(28,29)30)20(27)14-22(23)33-21-8-7-16(12-15(21)6-9-25(33)34)39(35,36)32-24-10-11-38-31-24/h2-14H,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	69	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Ability to activate estrogen receptor 2-mediated transcription.				J Med Chem 60: 5990-6017 (2017) Article DOI: 10.1021/acs.jmedchem.6b01850 BindingDB Entry DOI: 10.7270/Q2H1349F
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM217656 (US9212182, 658) Show SMILES COc1cc(ccc1-n1c2ccc(cc2ccc1=O)S(=O)(=O)Nc1ccncn1)-c1ccc(Cl)c(C)c1 |(6.67,-5.39,;5.33,-4.62,;4,-5.39,;4,-6.93,;2.67,-7.7,;1.33,-6.93,;1.33,-5.39,;2.67,-4.62,;2.67,-3.08,;1.33,-2.31,;,-3.08,;-1.33,-2.31,;-1.33,-.77,;;1.33,-.77,;2.67,,;4,-.77,;4,-2.31,;5.33,-3.08,;-2.67,,;-3.44,-1.33,;-1.9,1.33,;-4,.77,;-4,2.31,;-2.67,3.08,;-2.67,4.62,;-4,5.39,;-5.33,4.62,;-5.33,3.08,;2.67,-9.24,;1.33,-10.01,;1.33,-11.55,;2.67,-12.32,;2.67,-13.86,;4,-11.55,;5.33,-12.32,;4,-10.01,)| Show InChI InChI=1S/C27H21ClN4O4S/c1-17-13-18(3-7-22(17)28)19-4-8-24(25(15-19)36-2)32-23-9-6-21(14-20(23)5-10-27(32)33)37(34,35)31-26-11-12-29-16-30-26/h3-16H,1-2H3,(H,29,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	78	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate in presence of NADPH				J Med Chem 60: 5990-6017 (2017) Article DOI: 10.1021/acs.jmedchem.6b01850 BindingDB Entry DOI: 10.7270/Q2H1349F
					More data for this Ligand-Target Pair

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