Compile Data Set for Download or QSAR

Found 303 hits with Last Name = 'du bois' and Initial = 'j'   

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
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM525281 (US11173137, Compound AK3-101A | US11173137, Compou...) Show SMILES [O-]C(=O)c1ccccc1Nc1c(Cl)ccc(OCc2ccccc2)c1Cl Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Two exemplary compounds, FA44 and FA26, were screened against a panel of CNS receptors, transporters, and ion channels to examine specificity for CLC...				Citation and Details BindingDB Entry DOI: 10.7270/Q2HX1GVZ
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM525279 (US11173137, Compound FA26 | US11173137, Compound ...) Show SMILES Cc1ccc(Cl)c2[nH]c3c(ccc(F)c3c12)C([O-])=O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Two exemplary compounds, FA44 and FA26, were screened against a panel of CNS receptors, transporters, and ion channels to examine specificity for CLC...				Citation and Details BindingDB Entry DOI: 10.7270/Q2HX1GVZ
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM525281 (US11173137, Compound AK3-101A | US11173137, Compou...) Show SMILES [O-]C(=O)c1ccccc1Nc1c(Cl)ccc(OCc2ccccc2)c1Cl Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Two exemplary compounds, FA44 and FA26, were screened against a panel of CNS receptors, transporters, and ion channels to examine specificity for CLC...				Citation and Details BindingDB Entry DOI: 10.7270/Q2HX1GVZ
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM525279 (US11173137, Compound FA26 | US11173137, Compound ...) Show SMILES Cc1ccc(Cl)c2[nH]c3c(ccc(F)c3c12)C([O-])=O Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Two exemplary compounds, FA44 and FA26, were screened against a panel of CNS receptors, transporters, and ion channels to examine specificity for CLC...				Citation and Details BindingDB Entry DOI: 10.7270/Q2HX1GVZ
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M5 (Homo sapiens (Human))	BDBM525279 (US11173137, Compound FA26 | US11173137, Compound ...) Show SMILES Cc1ccc(Cl)c2[nH]c3c(ccc(F)c3c12)C([O-])=O Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Two exemplary compounds, FA44 and FA26, were screened against a panel of CNS receptors, transporters, and ion channels to examine specificity for CLC...				Citation and Details BindingDB Entry DOI: 10.7270/Q2HX1GVZ
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 8 (Homo sapiens (Human))	BDBM525279 (US11173137, Compound FA26 | US11173137, Compound ...) Show SMILES Cc1ccc(Cl)c2[nH]c3c(ccc(F)c3c12)C([O-])=O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Two exemplary compounds, FA44 and FA26, were screened against a panel of CNS receptors, transporters, and ion channels to examine specificity for CLC...				Citation and Details BindingDB Entry DOI: 10.7270/Q2HX1GVZ
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (Homo sapiens (Human))	BDBM525279 (US11173137, Compound FA26 | US11173137, Compound ...) Show SMILES Cc1ccc(Cl)c2[nH]c3c(ccc(F)c3c12)C([O-])=O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Two exemplary compounds, FA44 and FA26, were screened against a panel of CNS receptors, transporters, and ion channels to examine specificity for CLC...				Citation and Details BindingDB Entry DOI: 10.7270/Q2HX1GVZ
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (Homo sapiens (Human))	BDBM525281 (US11173137, Compound AK3-101A | US11173137, Compou...) Show SMILES [O-]C(=O)c1ccccc1Nc1c(Cl)ccc(OCc2ccccc2)c1Cl Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Two exemplary compounds, FA44 and FA26, were screened against a panel of CNS receptors, transporters, and ion channels to examine specificity for CLC...				Citation and Details BindingDB Entry DOI: 10.7270/Q2HX1GVZ
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM525279 (US11173137, Compound FA26 | US11173137, Compound ...) Show SMILES Cc1ccc(Cl)c2[nH]c3c(ccc(F)c3c12)C([O-])=O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Two exemplary compounds, FA44 and FA26, were screened against a panel of CNS receptors, transporters, and ion channels to examine specificity for CLC...				Citation and Details BindingDB Entry DOI: 10.7270/Q2HX1GVZ
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 4 (Homo sapiens (Human))	BDBM525279 (US11173137, Compound FA26 | US11173137, Compound ...) Show SMILES Cc1ccc(Cl)c2[nH]c3c(ccc(F)c3c12)C([O-])=O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Two exemplary compounds, FA44 and FA26, were screened against a panel of CNS receptors, transporters, and ion channels to examine specificity for CLC...				Citation and Details BindingDB Entry DOI: 10.7270/Q2HX1GVZ
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM525279 (US11173137, Compound FA26 | US11173137, Compound ...) Show SMILES Cc1ccc(Cl)c2[nH]c3c(ccc(F)c3c12)C([O-])=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Two exemplary compounds, FA44 and FA26, were screened against a panel of CNS receptors, transporters, and ion channels to examine specificity for CLC...				Citation and Details BindingDB Entry DOI: 10.7270/Q2HX1GVZ
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM525281 (US11173137, Compound AK3-101A | US11173137, Compou...) Show SMILES [O-]C(=O)c1ccccc1Nc1c(Cl)ccc(OCc2ccccc2)c1Cl Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Two exemplary compounds, FA44 and FA26, were screened against a panel of CNS receptors, transporters, and ion channels to examine specificity for CLC...				Citation and Details BindingDB Entry DOI: 10.7270/Q2HX1GVZ
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 6 (Homo sapiens (Human))	BDBM525279 (US11173137, Compound FA26 | US11173137, Compound ...) Show SMILES Cc1ccc(Cl)c2[nH]c3c(ccc(F)c3c12)C([O-])=O Show InChI	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Two exemplary compounds, FA44 and FA26, were screened against a panel of CNS receptors, transporters, and ion channels to examine specificity for CLC...				Citation and Details BindingDB Entry DOI: 10.7270/Q2HX1GVZ
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM525279 (US11173137, Compound FA26 | US11173137, Compound ...) Show SMILES Cc1ccc(Cl)c2[nH]c3c(ccc(F)c3c12)C([O-])=O Show InChI	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Two exemplary compounds, FA44 and FA26, were screened against a panel of CNS receptors, transporters, and ion channels to examine specificity for CLC...				Citation and Details BindingDB Entry DOI: 10.7270/Q2HX1GVZ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM525279 (US11173137, Compound FA26 | US11173137, Compound ...) Show SMILES Cc1ccc(Cl)c2[nH]c3c(ccc(F)c3c12)C([O-])=O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Two exemplary compounds, FA44 and FA26, were screened against a panel of CNS receptors, transporters, and ion channels to examine specificity for CLC...				Citation and Details BindingDB Entry DOI: 10.7270/Q2HX1GVZ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM525281 (US11173137, Compound AK3-101A | US11173137, Compou...) Show SMILES [O-]C(=O)c1ccccc1Nc1c(Cl)ccc(OCc2ccccc2)c1Cl Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Two exemplary compounds, FA44 and FA26, were screened against a panel of CNS receptors, transporters, and ion channels to examine specificity for CLC...				Citation and Details BindingDB Entry DOI: 10.7270/Q2HX1GVZ
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M5 (Homo sapiens (Human))	BDBM525281 (US11173137, Compound AK3-101A | US11173137, Compou...) Show SMILES [O-]C(=O)c1ccccc1Nc1c(Cl)ccc(OCc2ccccc2)c1Cl Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Two exemplary compounds, FA44 and FA26, were screened against a panel of CNS receptors, transporters, and ion channels to examine specificity for CLC...				Citation and Details BindingDB Entry DOI: 10.7270/Q2HX1GVZ
					More data for this Ligand-Target Pair
Sodium channel protein type 7 subunit alpha (Homo sapiens (Human))	BDBM50451447 (CHEMBL4217988) Show SMILES FC(F)(F)c1cccc(c1)-c1ccc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ncns2)c(c1)-c1ccnc(CNCCC2CCNCC2)c1 Show InChI InChI=1S/C35H32F3N7O3S2/c36-35(37,38)28-3-1-2-24(16-28)25-4-6-33(48-32-7-5-30(18-27(32)20-39)50(46,47)45-34-43-22-44-49-34)31(19-25)26-11-15-42-29(17-26)21-41-14-10-23-8-12-40-13-9-23/h1-7,11,15-19,22-23,40-41H,8-10,12-14,21H2,(H,43,44,45)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0100	n/a	n/a	n/a	n/a	n/a	n/a
SiteOne Therapeutics Curated by ChEMBL					Assay Description Inhibition of human Nav1.7 expressed in HEK293 cells by electrophysiology assay				J Med Chem 62: 8695-8710 (2019) Article DOI: 10.1021/acs.jmedchem.8b01906 BindingDB Entry DOI: 10.7270/Q2M90CZD
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Mus musculus)	BDBM50451447 (CHEMBL4217988) Show SMILES FC(F)(F)c1cccc(c1)-c1ccc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ncns2)c(c1)-c1ccnc(CNCCC2CCNCC2)c1 Show InChI InChI=1S/C35H32F3N7O3S2/c36-35(37,38)28-3-1-2-24(16-28)25-4-6-33(48-32-7-5-30(18-27(32)20-39)50(46,47)45-34-43-22-44-49-34)31(19-25)26-11-15-42-29(17-26)21-41-14-10-23-8-12-40-13-9-23/h1-7,11,15-19,22-23,40-41H,8-10,12-14,21H2,(H,43,44,45)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	<0.100	n/a	n/a	n/a	n/a	n/a	n/a
SiteOne Therapeutics Curated by ChEMBL					Assay Description Inhibition of mouse Nav1.7 expressed in HEK293 cells by electrophysiology assay				J Med Chem 62: 8695-8710 (2019) Article DOI: 10.1021/acs.jmedchem.8b01906 BindingDB Entry DOI: 10.7270/Q2M90CZD
					More data for this Ligand-Target Pair
Sodium channel protein type 7 subunit alpha (Homo sapiens (Human))	BDBM145285 (US8952169, 64 | US9771376, Example 64) Show SMILES Fc1cc(OCC23CC4CC(CC(C4)C2)C3)c(cc1C(=O)NS(=O)(=O)N1CCC1)C1CC1 |TLB:5:6:9:13.12.11,15:6:13:9.10.11,THB:15:10:13:6.14.7,14:6:9:13.12.11,14:12:9:6.15.7| Show InChI InChI=1S/C24H31FN2O4S/c25-21-10-22(31-14-24-11-15-6-16(12-24)8-17(7-15)13-24)19(18-2-3-18)9-20(21)23(28)26-32(29,30)27-4-1-5-27/h9-10,15-18H,1-8,11-14H2,(H,26,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
SiteOne Therapeutics Curated by ChEMBL					Assay Description Inhibition of human Nav1.7 expressed in HEK293 cells by electrophysiology assay				J Med Chem 62: 8695-8710 (2019) Article DOI: 10.1021/acs.jmedchem.8b01906 BindingDB Entry DOI: 10.7270/Q2M90CZD
					More data for this Ligand-Target Pair
Sodium channel protein type 7 subunit alpha (Homo sapiens (Human))	BDBM145591 (US8952169, 389) Show SMILES CC1(COc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)C2CC2)CCC2(CC2)CC1 Show InChI InChI=1S/C23H30FNO4S/c1-22(6-8-23(9-7-22)10-11-23)14-29-20-13-19(24)18(12-17(20)15-2-3-15)21(26)25-30(27,28)16-4-5-16/h12-13,15-16H,2-11,14H2,1H3,(H,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
SiteOne Therapeutics Curated by ChEMBL					Assay Description Inhibition of human Nav1.7 expressed in HEK293 cells by electrophysiology assay				J Med Chem 62: 8695-8710 (2019) Article DOI: 10.1021/acs.jmedchem.8b01906 BindingDB Entry DOI: 10.7270/Q2M90CZD
					More data for this Ligand-Target Pair
Sodium channel protein type 7 subunit alpha (Homo sapiens (Human))	BDBM50051073 (CHEMBL3318132) Show SMILES [H][C@]12CSSC[C@]3([H])NC(=O)[C@@]([H])(NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CSSC[C@]([H])(NC(=O)[C@]([H])(CSSC[C@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c4ccccc14)C(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC3=O)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](C(C)C)C(=O)N2)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
SiteOne Therapeutics Curated by ChEMBL					Assay Description Inhibition of human Nav1.7 expressed in HEK293 cells by electrophysiology assay				J Med Chem 62: 8695-8710 (2019) Article DOI: 10.1021/acs.jmedchem.8b01906 BindingDB Entry DOI: 10.7270/Q2M90CZD
					More data for this Ligand-Target Pair
Sodium channel protein type 7 subunit alpha (Homo sapiens (Human))	BDBM50505258 (CHEMBL4588728) Show SMILES CSCC[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](CCCCN)NC1=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c4ccccc14)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC3=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N2)NC(=O)[C@@H](N)CC(O)=O |r| Show InChI InChI=1S/C183H265N49O54S8/c1-93(2)69-120-151(255)198-85-139(238)203-132-86-289-292-89-135-178(282)212-116(54-56-140(239)240)160(264)205-112(42-22-27-63-187)158(262)222-129(79-144(247)248)169(273)211-117(55-57-141(241)242)161(265)223-131(81-146(251)252)171(275)229-137(179(283)230-136(177(281)209-113(43-23-28-64-188)157(261)221-127(167(271)216-120)76-103-83-194-92-200-103)90-293-291-88-134(226-150(254)107(189)77-142(243)244)176(280)210-115(45-30-66-196-183(192)193)159(263)218-122(73-100-46-50-104(235)51-47-100)164(268)214-119(59-68-288-7)163(267)217-121(70-97-31-11-8-12-32-97)152(256)199-84-138(237)202-128(78-143(245)246)168(272)228-135)91-294-290-87-133(227-165(269)123(74-101-48-52-105(236)53-49-101)219-156(260)111(41-21-26-62-186)206-162(266)118(58-67-287-6)213-154(258)109(39-19-24-60-184)204-155(259)114(44-29-65-195-182(190)191)207-153(257)110(208-175(132)279)40-20-25-61-185)174(278)201-94(3)149(253)215-126(75-102-82-197-108-38-18-17-37-106(102)108)166(270)224-130(80-145(249)250)170(274)220-124(71-98-33-13-9-14-34-98)172(276)231-147(95(4)233)180(284)225-125(72-99-35-15-10-16-36-99)173(277)232-148(96(5)234)181(285)286/h8-18,31-38,46-53,82-83,92-96,107,109-137,147-148,197,233-236H,19-30,39-45,54-81,84-91,184-189H2,1-7H3,(H,194,200)(H,198,255)(H,199,256)(H,201,278)(H,202,237)(H,203,238)(H,204,259)(H,205,264)(H,206,266)(H,207,257)(H,208,279)(H,209,281)(H,210,280)(H,211,273)(H,212,282)(H,213,258)(H,214,268)(H,215,253)(H,216,271)(H,217,267)(H,218,263)(H,219,260)(H,220,274)(H,221,261)(H,222,262)(H,223,265)(H,224,270)(H,225,284)(H,226,254)(H,227,269)(H,228,272)(H,229,275)(H,230,283)(H,231,276)(H,232,277)(H,239,240)(H,241,242)(H,243,244)(H,245,246)(H,247,248)(H,249,250)(H,251,252)(H,285,286)(H4,190,191,195)(H4,192,193,196)/t94-,95+,96+,107-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,147-,148-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
SiteOne Therapeutics Curated by ChEMBL					Assay Description Inhibition of human Nav1.7 expressed in HEK293 cells by electrophysiology assay				J Med Chem 62: 8695-8710 (2019) Article DOI: 10.1021/acs.jmedchem.8b01906 BindingDB Entry DOI: 10.7270/Q2M90CZD
					More data for this Ligand-Target Pair
Sodium channel protein type 2 subunit alpha (Homo sapiens (Human))	BDBM190233 (US9174999, Table 1, Compound 1) Show SMILES NC(=O)OC[C@@H]1NC(=N)N2CCC(O)(O)[C@@]22NC(=N)N[C@@H]12 |r| Show InChI InChI=1S/C10H17N7O4/c11-6-15-5-4(3-21-8(13)18)14-7(12)17-2-1-9(19,20)10(5,17)16-6/h4-5,19-20H,1-3H2,(H2,12,14)(H2,13,18)(H3,11,15,16)/t4-,5-,10-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
SiteOne Therapeutics Curated by ChEMBL					Assay Description Inhibition of human Nav1.2 expressed in HEK293 cells by electrophysiology assay				J Med Chem 62: 8695-8710 (2019) Article DOI: 10.1021/acs.jmedchem.8b01906 BindingDB Entry DOI: 10.7270/Q2M90CZD
					More data for this Ligand-Target Pair
Sodium channel protein type 8 subunit alpha (Homo sapiens (Human))	BDBM190233 (US9174999, Table 1, Compound 1) Show SMILES NC(=O)OC[C@@H]1NC(=N)N2CCC(O)(O)[C@@]22NC(=N)N[C@@H]12 |r| Show InChI InChI=1S/C10H17N7O4/c11-6-15-5-4(3-21-8(13)18)14-7(12)17-2-1-9(19,20)10(5,17)16-6/h4-5,19-20H,1-3H2,(H2,12,14)(H2,13,18)(H3,11,15,16)/t4-,5-,10-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
SiteOne Therapeutics Curated by ChEMBL					Assay Description Inhibition of human Nav1.6 expressed in HEK293 cells by electrophysiology assay				J Med Chem 62: 8695-8710 (2019) Article DOI: 10.1021/acs.jmedchem.8b01906 BindingDB Entry DOI: 10.7270/Q2M90CZD
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Rattus norvegicus)	BDBM50505258 (CHEMBL4588728) Show SMILES CSCC[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](CCCCN)NC1=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c4ccccc14)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC3=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N2)NC(=O)[C@@H](N)CC(O)=O |r| Show InChI InChI=1S/C183H265N49O54S8/c1-93(2)69-120-151(255)198-85-139(238)203-132-86-289-292-89-135-178(282)212-116(54-56-140(239)240)160(264)205-112(42-22-27-63-187)158(262)222-129(79-144(247)248)169(273)211-117(55-57-141(241)242)161(265)223-131(81-146(251)252)171(275)229-137(179(283)230-136(177(281)209-113(43-23-28-64-188)157(261)221-127(167(271)216-120)76-103-83-194-92-200-103)90-293-291-88-134(226-150(254)107(189)77-142(243)244)176(280)210-115(45-30-66-196-183(192)193)159(263)218-122(73-100-46-50-104(235)51-47-100)164(268)214-119(59-68-288-7)163(267)217-121(70-97-31-11-8-12-32-97)152(256)199-84-138(237)202-128(78-143(245)246)168(272)228-135)91-294-290-87-133(227-165(269)123(74-101-48-52-105(236)53-49-101)219-156(260)111(41-21-26-62-186)206-162(266)118(58-67-287-6)213-154(258)109(39-19-24-60-184)204-155(259)114(44-29-65-195-182(190)191)207-153(257)110(208-175(132)279)40-20-25-61-185)174(278)201-94(3)149(253)215-126(75-102-82-197-108-38-18-17-37-106(102)108)166(270)224-130(80-145(249)250)170(274)220-124(71-98-33-13-9-14-34-98)172(276)231-147(95(4)233)180(284)225-125(72-99-35-15-10-16-36-99)173(277)232-148(96(5)234)181(285)286/h8-18,31-38,46-53,82-83,92-96,107,109-137,147-148,197,233-236H,19-30,39-45,54-81,84-91,184-189H2,1-7H3,(H,194,200)(H,198,255)(H,199,256)(H,201,278)(H,202,237)(H,203,238)(H,204,259)(H,205,264)(H,206,266)(H,207,257)(H,208,279)(H,209,281)(H,210,280)(H,211,273)(H,212,282)(H,213,258)(H,214,268)(H,215,253)(H,216,271)(H,217,267)(H,218,263)(H,219,260)(H,220,274)(H,221,261)(H,222,262)(H,223,265)(H,224,270)(H,225,284)(H,226,254)(H,227,269)(H,228,272)(H,229,275)(H,230,283)(H,231,276)(H,232,277)(H,239,240)(H,241,242)(H,243,244)(H,245,246)(H,247,248)(H,249,250)(H,251,252)(H,285,286)(H4,190,191,195)(H4,192,193,196)/t94-,95+,96+,107-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,147-,148-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
SiteOne Therapeutics Curated by ChEMBL					Assay Description Inhibition of rat Nav1.7 expressed in HEK293 cells by electrophysiology assay				J Med Chem 62: 8695-8710 (2019) Article DOI: 10.1021/acs.jmedchem.8b01906 BindingDB Entry DOI: 10.7270/Q2M90CZD
					More data for this Ligand-Target Pair
Sodium channel protein type 4 subunit alpha (Homo sapiens (Human))	BDBM190233 (US9174999, Table 1, Compound 1) Show SMILES NC(=O)OC[C@@H]1NC(=N)N2CCC(O)(O)[C@@]22NC(=N)N[C@@H]12 |r| Show InChI InChI=1S/C10H17N7O4/c11-6-15-5-4(3-21-8(13)18)14-7(12)17-2-1-9(19,20)10(5,17)16-6/h4-5,19-20H,1-3H2,(H2,12,14)(H2,13,18)(H3,11,15,16)/t4-,5-,10-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00378 BindingDB Entry DOI: 10.7270/Q2SF3151
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50595862 (CHEMBL5189924) Show SMILES [H][C@@]12NC(=N)N[C@]11N(C[C@H](NC(=O)c3cc(ccc3C(F)(F)F)C(F)(F)F)C1(O)O)C(=N)N[C@H]2CO |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00378 BindingDB Entry DOI: 10.7270/Q2SF3151
					More data for this Ligand-Target Pair
Sodium channel protein type 4 subunit alpha (Homo sapiens (Human))	BDBM50595859 (CHEMBL5192731) Show SMILES [H][C@@]12NC(=N)N[C@]11N(C[C@H](NC(=O)c3ccccc3C(F)(F)F)C1(O)O)C(=N)N[C@H]2CO |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00378 BindingDB Entry DOI: 10.7270/Q2SF3151
					More data for this Ligand-Target Pair
Sodium channel protein type 4 subunit alpha (Homo sapiens (Human))	BDBM50595862 (CHEMBL5189924) Show SMILES [H][C@@]12NC(=N)N[C@]11N(C[C@H](NC(=O)c3cc(ccc3C(F)(F)F)C(F)(F)F)C1(O)O)C(=N)N[C@H]2CO |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00378 BindingDB Entry DOI: 10.7270/Q2SF3151
					More data for this Ligand-Target Pair
Sodium channel protein type 2 subunit alpha (Homo sapiens (Human))	BDBM145591 (US8952169, 389) Show SMILES CC1(COc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)C2CC2)CCC2(CC2)CC1 Show InChI InChI=1S/C23H30FNO4S/c1-22(6-8-23(9-7-22)10-11-23)14-29-20-13-19(24)18(12-17(20)15-2-3-15)21(26)25-30(27,28)16-4-5-16/h12-13,15-16H,2-11,14H2,1H3,(H,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
SiteOne Therapeutics Curated by ChEMBL					Assay Description Inhibition of human Nav1.2 expressed in HEK293 cells by electrophysiology assay				J Med Chem 62: 8695-8710 (2019) Article DOI: 10.1021/acs.jmedchem.8b01906 BindingDB Entry DOI: 10.7270/Q2M90CZD
					More data for this Ligand-Target Pair
Chloride channel protein 2 (Human)	BDBM525281 (US11173137, Compound AK3-101A | US11173137, Compou...) Show SMILES [O-]C(=O)c1ccccc1Nc1c(Cl)ccc(OCc2ccccc2)c1Cl Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description CLC-2 activity using cell-free assays, e.g., binding assays; with purified enzymes.				Citation and Details BindingDB Entry DOI: 10.7270/Q2HX1GVZ
					More data for this Ligand-Target Pair
Sodium channel protein type 7 subunit alpha (Homo sapiens (Human))	BDBM50077471 (CHEMBL3416886) Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@]3([H])CSSC[C@]([H])(NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC2=O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2c[nH]c4ccccc24)C(=O)N[C@@H](CSSC[C@]([H])(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@]2([H])CCCN2C(=O)[C@@]([H])(NC3=O)[C@@H](C)CC)C(=O)N1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
SiteOne Therapeutics Curated by ChEMBL					Assay Description Inhibition of human Nav1.7 expressed in HEK293 cells by electrophysiology assay				J Med Chem 62: 8695-8710 (2019) Article DOI: 10.1021/acs.jmedchem.8b01906 BindingDB Entry DOI: 10.7270/Q2M90CZD
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Mus musculus)	BDBM145591 (US8952169, 389) Show SMILES CC1(COc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)C2CC2)CCC2(CC2)CC1 Show InChI InChI=1S/C23H30FNO4S/c1-22(6-8-23(9-7-22)10-11-23)14-29-20-13-19(24)18(12-17(20)15-2-3-15)21(26)25-30(27,28)16-4-5-16/h12-13,15-16H,2-11,14H2,1H3,(H,25,26)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
SiteOne Therapeutics Curated by ChEMBL					Assay Description Inhibition of mouse Nav1.7 expressed in HEK293 cells by electrophysiology assay				J Med Chem 62: 8695-8710 (2019) Article DOI: 10.1021/acs.jmedchem.8b01906 BindingDB Entry DOI: 10.7270/Q2M90CZD
					More data for this Ligand-Target Pair
Sodium channel protein type 8 subunit alpha (Homo sapiens (Human))	BDBM50344821 (10-hydroxymethyl-5-imino-(2S)-12,13-dioxa-4,6-diaz...) Show SMILES NC1=N[C@H](O)[C@H]2[C@H]3O[C@]4(O)O[C@@H]([C@@H](O)[C@@]2(N1)[C@@H]4O)[C@]3(O)CO |r,t:1,TLB:13:12:16:6.7.5,18:11:16:6.7.5,18:6:16:11.10.12,19:18:7:16.14.5,20:18:7:16.14.5,THB:12:11:7:16.14.5,3:5:16:11.10.12| Show InChI InChI=1S/C11H17N3O8/c12-8-13-6(17)2-4-9(19,1-15)5-3(16)10(2,14-8)7(18)11(20,21-4)22-5/h2-7,15-20H,1H2,(H3,12,13,14)/t2-,3-,4-,5+,6-,7+,9+,10-,11+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
SiteOne Therapeutics Curated by ChEMBL					Assay Description Inhibition of human Nav1.6 expressed in HEK293 cells by electrophysiology assay				J Med Chem 62: 8695-8710 (2019) Article DOI: 10.1021/acs.jmedchem.8b01906 BindingDB Entry DOI: 10.7270/Q2M90CZD
					More data for this Ligand-Target Pair
Sodium channel protein type 1 subunit alpha (Homo sapiens (Human))	BDBM190233 (US9174999, Table 1, Compound 1) Show SMILES NC(=O)OC[C@@H]1NC(=N)N2CCC(O)(O)[C@@]22NC(=N)N[C@@H]12 |r| Show InChI InChI=1S/C10H17N7O4/c11-6-15-5-4(3-21-8(13)18)14-7(12)17-2-1-9(19,20)10(5,17)16-6/h4-5,19-20H,1-3H2,(H2,12,14)(H2,13,18)(H3,11,15,16)/t4-,5-,10-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
SiteOne Therapeutics Curated by ChEMBL					Assay Description Inhibition of human Nav1.1 expressed in HEK293 cells by electrophysiology assay				J Med Chem 62: 8695-8710 (2019) Article DOI: 10.1021/acs.jmedchem.8b01906 BindingDB Entry DOI: 10.7270/Q2M90CZD
					More data for this Ligand-Target Pair
Sodium channel protein type 4 subunit alpha (Rattus norvegicus (Rat))	BDBM190233 (US9174999, Table 1, Compound 1) Show SMILES NC(=O)OC[C@@H]1NC(=N)N2CCC(O)(O)[C@@]22NC(=N)N[C@@H]12 |r| Show InChI InChI=1S/C10H17N7O4/c11-6-15-5-4(3-21-8(13)18)14-7(12)17-2-1-9(19,20)10(5,17)16-6/h4-5,19-20H,1-3H2,(H2,12,14)(H2,13,18)(H3,11,15,16)/t4-,5-,10-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
The Board of Trustees of the Leland Stanford Junior University US Patent					Assay Description In initial studies, we designed a set of molecules with branching at the nitrogen of the carbamate side chain as well as the carbon adjacent to the n...				US Patent US9174999 (2015) BindingDB Entry DOI: 10.7270/Q2C24V68
					More data for this Ligand-Target Pair
Sodium channel protein type 2 subunit alpha (Homo sapiens (Human))	BDBM50451447 (CHEMBL4217988) Show SMILES FC(F)(F)c1cccc(c1)-c1ccc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ncns2)c(c1)-c1ccnc(CNCCC2CCNCC2)c1 Show InChI InChI=1S/C35H32F3N7O3S2/c36-35(37,38)28-3-1-2-24(16-28)25-4-6-33(48-32-7-5-30(18-27(32)20-39)50(46,47)45-34-43-22-44-49-34)31(19-25)26-11-15-42-29(17-26)21-41-14-10-23-8-12-40-13-9-23/h1-7,11,15-19,22-23,40-41H,8-10,12-14,21H2,(H,43,44,45)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
SiteOne Therapeutics Curated by ChEMBL					Assay Description Inhibition of human Nav1.2 expressed in HEK293 cells by electrophysiology assay				J Med Chem 62: 8695-8710 (2019) Article DOI: 10.1021/acs.jmedchem.8b01906 BindingDB Entry DOI: 10.7270/Q2M90CZD
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50595859 (CHEMBL5192731) Show SMILES [H][C@@]12NC(=N)N[C@]11N(C[C@H](NC(=O)c3ccccc3C(F)(F)F)C1(O)O)C(=N)N[C@H]2CO |r| Show InChI	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
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00378 BindingDB Entry DOI: 10.7270/Q2SF3151
					More data for this Ligand-Target Pair
Sodium channel protein type 7 subunit alpha (Homo sapiens (Human))	BDBM217483 (US9212182, 477 | US9212182, 478) Show SMILES COc1cc(c(F)cc1-n1c2ccc(cc2ccc1=O)S(=O)(=O)Nc1ccon1)-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,;-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,;,-12.32,;2.67,-12.32,;4,-11.55,;5.33,-12.32,;4,-10.01,)| Show InChI InChI=1S/C25H16ClF2N3O5S/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 UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
SiteOne Therapeutics Curated by ChEMBL					Assay Description Inhibition of human Nav1.7 expressed in HEK293 cells by electrophysiology assay				J Med Chem 62: 8695-8710 (2019) Article DOI: 10.1021/acs.jmedchem.8b01906 BindingDB Entry DOI: 10.7270/Q2M90CZD
					More data for this Ligand-Target Pair
Sodium channel protein type 7 subunit alpha (Homo sapiens (Human))	BDBM217483 (US9212182, 477 | US9212182, 478) Show SMILES COc1cc(c(F)cc1-n1c2ccc(cc2ccc1=O)S(=O)(=O)Nc1ccon1)-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,;-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,;,-12.32,;2.67,-12.32,;4,-11.55,;5.33,-12.32,;4,-10.01,)| Show InChI InChI=1S/C25H16ClF2N3O5S/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 UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
SiteOne Therapeutics Curated by ChEMBL					Assay Description Inhibition of human Nav1.7 expressed in HEK293 cells by electrophysiology assay				J Med Chem 62: 8695-8710 (2019) Article DOI: 10.1021/acs.jmedchem.8b01906 BindingDB Entry DOI: 10.7270/Q2M90CZD
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Rattus norvegicus)	BDBM145591 (US8952169, 389) Show SMILES CC1(COc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)C2CC2)CCC2(CC2)CC1 Show InChI InChI=1S/C23H30FNO4S/c1-22(6-8-23(9-7-22)10-11-23)14-29-20-13-19(24)18(12-17(20)15-2-3-15)21(26)25-30(27,28)16-4-5-16/h12-13,15-16H,2-11,14H2,1H3,(H,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
SiteOne Therapeutics Curated by ChEMBL					Assay Description Inhibition of rat Nav1.7 expressed in HEK293 cells by electrophysiology assay				J Med Chem 62: 8695-8710 (2019) Article DOI: 10.1021/acs.jmedchem.8b01906 BindingDB Entry DOI: 10.7270/Q2M90CZD
					More data for this Ligand-Target Pair
Sodium channel protein type 1 subunit alpha (Homo sapiens (Human))	BDBM50344821 (10-hydroxymethyl-5-imino-(2S)-12,13-dioxa-4,6-diaz...) Show SMILES NC1=N[C@H](O)[C@H]2[C@H]3O[C@]4(O)O[C@@H]([C@@H](O)[C@@]2(N1)[C@@H]4O)[C@]3(O)CO |r,t:1,TLB:13:12:16:6.7.5,18:11:16:6.7.5,18:6:16:11.10.12,19:18:7:16.14.5,20:18:7:16.14.5,THB:12:11:7:16.14.5,3:5:16:11.10.12| Show InChI InChI=1S/C11H17N3O8/c12-8-13-6(17)2-4-9(19,1-15)5-3(16)10(2,14-8)7(18)11(20,21-4)22-5/h2-7,15-20H,1H2,(H3,12,13,14)/t2-,3-,4-,5+,6-,7+,9+,10-,11+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
SiteOne Therapeutics Curated by ChEMBL					Assay Description Inhibition of human Nav1.1 expressed in HEK293 cells by electrophysiology assay				J Med Chem 62: 8695-8710 (2019) Article DOI: 10.1021/acs.jmedchem.8b01906 BindingDB Entry DOI: 10.7270/Q2M90CZD
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Mus musculus)	BDBM50505258 (CHEMBL4588728) Show SMILES CSCC[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](CCCCN)NC1=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c4ccccc14)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC3=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N2)NC(=O)[C@@H](N)CC(O)=O |r| Show InChI InChI=1S/C183H265N49O54S8/c1-93(2)69-120-151(255)198-85-139(238)203-132-86-289-292-89-135-178(282)212-116(54-56-140(239)240)160(264)205-112(42-22-27-63-187)158(262)222-129(79-144(247)248)169(273)211-117(55-57-141(241)242)161(265)223-131(81-146(251)252)171(275)229-137(179(283)230-136(177(281)209-113(43-23-28-64-188)157(261)221-127(167(271)216-120)76-103-83-194-92-200-103)90-293-291-88-134(226-150(254)107(189)77-142(243)244)176(280)210-115(45-30-66-196-183(192)193)159(263)218-122(73-100-46-50-104(235)51-47-100)164(268)214-119(59-68-288-7)163(267)217-121(70-97-31-11-8-12-32-97)152(256)199-84-138(237)202-128(78-143(245)246)168(272)228-135)91-294-290-87-133(227-165(269)123(74-101-48-52-105(236)53-49-101)219-156(260)111(41-21-26-62-186)206-162(266)118(58-67-287-6)213-154(258)109(39-19-24-60-184)204-155(259)114(44-29-65-195-182(190)191)207-153(257)110(208-175(132)279)40-20-25-61-185)174(278)201-94(3)149(253)215-126(75-102-82-197-108-38-18-17-37-106(102)108)166(270)224-130(80-145(249)250)170(274)220-124(71-98-33-13-9-14-34-98)172(276)231-147(95(4)233)180(284)225-125(72-99-35-15-10-16-36-99)173(277)232-148(96(5)234)181(285)286/h8-18,31-38,46-53,82-83,92-96,107,109-137,147-148,197,233-236H,19-30,39-45,54-81,84-91,184-189H2,1-7H3,(H,194,200)(H,198,255)(H,199,256)(H,201,278)(H,202,237)(H,203,238)(H,204,259)(H,205,264)(H,206,266)(H,207,257)(H,208,279)(H,209,281)(H,210,280)(H,211,273)(H,212,282)(H,213,258)(H,214,268)(H,215,253)(H,216,271)(H,217,267)(H,218,263)(H,219,260)(H,220,274)(H,221,261)(H,222,262)(H,223,265)(H,224,270)(H,225,284)(H,226,254)(H,227,269)(H,228,272)(H,229,275)(H,230,283)(H,231,276)(H,232,277)(H,239,240)(H,241,242)(H,243,244)(H,245,246)(H,247,248)(H,249,250)(H,251,252)(H,285,286)(H4,190,191,195)(H4,192,193,196)/t94-,95+,96+,107-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,147-,148-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	n/a
SiteOne Therapeutics Curated by ChEMBL					Assay Description Inhibition of mouse Nav1.7 expressed in HEK293 cells by electrophysiology assay				J Med Chem 62: 8695-8710 (2019) Article DOI: 10.1021/acs.jmedchem.8b01906 BindingDB Entry DOI: 10.7270/Q2M90CZD
					More data for this Ligand-Target Pair
Sodium channel protein type 3 subunit alpha (Homo sapiens (Human))	BDBM50344821 (10-hydroxymethyl-5-imino-(2S)-12,13-dioxa-4,6-diaz...) Show SMILES NC1=N[C@H](O)[C@H]2[C@H]3O[C@]4(O)O[C@@H]([C@@H](O)[C@@]2(N1)[C@@H]4O)[C@]3(O)CO |r,t:1,TLB:13:12:16:6.7.5,18:11:16:6.7.5,18:6:16:11.10.12,19:18:7:16.14.5,20:18:7:16.14.5,THB:12:11:7:16.14.5,3:5:16:11.10.12| Show InChI InChI=1S/C11H17N3O8/c12-8-13-6(17)2-4-9(19,1-15)5-3(16)10(2,14-8)7(18)11(20,21-4)22-5/h2-7,15-20H,1H2,(H3,12,13,14)/t2-,3-,4-,5+,6-,7+,9+,10-,11+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
SiteOne Therapeutics Curated by ChEMBL					Assay Description Inhibition of human Nav1.3 expressed in HEK293 cells by electrophysiology assay				J Med Chem 62: 8695-8710 (2019) Article DOI: 10.1021/acs.jmedchem.8b01906 BindingDB Entry DOI: 10.7270/Q2M90CZD
					More data for this Ligand-Target Pair
Sodium channel protein type 8 subunit alpha (Homo sapiens (Human))	BDBM50451447 (CHEMBL4217988) Show SMILES FC(F)(F)c1cccc(c1)-c1ccc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ncns2)c(c1)-c1ccnc(CNCCC2CCNCC2)c1 Show InChI InChI=1S/C35H32F3N7O3S2/c36-35(37,38)28-3-1-2-24(16-28)25-4-6-33(48-32-7-5-30(18-27(32)20-39)50(46,47)45-34-43-22-44-49-34)31(19-25)26-11-15-42-29(17-26)21-41-14-10-23-8-12-40-13-9-23/h1-7,11,15-19,22-23,40-41H,8-10,12-14,21H2,(H,43,44,45)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.80	n/a	n/a	n/a	n/a	n/a	n/a
SiteOne Therapeutics Curated by ChEMBL					Assay Description Inhibition of human Nav1.6 expressed in HEK293 cells by electrophysiology assay				J Med Chem 62: 8695-8710 (2019) Article DOI: 10.1021/acs.jmedchem.8b01906 BindingDB Entry DOI: 10.7270/Q2M90CZD
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50595863 (CHEMBL5184022) Show SMILES [H][C@@]12NC(=N)N[C@]11N(C[C@H](NC(=O)c3cccc4CCCc34)C1(O)O)C(=N)N[C@H]2CO |r| Show InChI	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
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00378 BindingDB Entry DOI: 10.7270/Q2SF3151
					More data for this Ligand-Target Pair
Sodium channel protein type 1 subunit alpha (Homo sapiens (Human))	BDBM145591 (US8952169, 389) Show SMILES CC1(COc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)C2CC2)CCC2(CC2)CC1 Show InChI InChI=1S/C23H30FNO4S/c1-22(6-8-23(9-7-22)10-11-23)14-29-20-13-19(24)18(12-17(20)15-2-3-15)21(26)25-30(27,28)16-4-5-16/h12-13,15-16H,2-11,14H2,1H3,(H,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
SiteOne Therapeutics Curated by ChEMBL					Assay Description Inhibition of human Nav1.1 expressed in HEK293 cells by electrophysiology assay				J Med Chem 62: 8695-8710 (2019) Article DOI: 10.1021/acs.jmedchem.8b01906 BindingDB Entry DOI: 10.7270/Q2M90CZD
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50595864 (CHEMBL5208387) Show SMILES [H][C@@]12NC(=N)N[C@]11N(C[C@H](NC(=O)c3cccc4c3OCC4(C)C)C1(O)O)C(=N)N[C@H]2CO |r| Show InChI	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
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00378 BindingDB Entry DOI: 10.7270/Q2SF3151
					More data for this Ligand-Target Pair
Sodium channel protein type 4 subunit alpha (Homo sapiens (Human))	BDBM50344821 (10-hydroxymethyl-5-imino-(2S)-12,13-dioxa-4,6-diaz...) Show SMILES NC1=N[C@H](O)[C@H]2[C@H]3O[C@]4(O)O[C@@H]([C@@H](O)[C@@]2(N1)[C@@H]4O)[C@]3(O)CO |r,t:1,TLB:13:12:16:6.7.5,18:11:16:6.7.5,18:6:16:11.10.12,19:18:7:16.14.5,20:18:7:16.14.5,THB:12:11:7:16.14.5,3:5:16:11.10.12| Show InChI InChI=1S/C11H17N3O8/c12-8-13-6(17)2-4-9(19,1-15)5-3(16)10(2,14-8)7(18)11(20,21-4)22-5/h2-7,15-20H,1H2,(H3,12,13,14)/t2-,3-,4-,5+,6-,7+,9+,10-,11+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	7.60	n/a	n/a	n/a	n/a	n/a	n/a
SiteOne Therapeutics Curated by ChEMBL					Assay Description Inhibition of human Nav1.4 expressed in HEK293 cells by electrophysiology assay				J Med Chem 62: 8695-8710 (2019) Article DOI: 10.1021/acs.jmedchem.8b01906 BindingDB Entry DOI: 10.7270/Q2M90CZD
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 303 total )  |  Next  |  Last  >>

Jump to: