Found 124 hits of ic50 data for polymerid = 50006868 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
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
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| 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 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
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| 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)) | 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
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| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of full length human Nav1.7 expressed in HEK cells by whole cell voltage clamp analysis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00049
BindingDB Entry DOI: 10.7270/Q2WW7NKS |
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
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| 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)) | BDBM70937
(US9546164, 100 | US9694002, 100)Show SMILES C[C@H](N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1cc(Cl)cc(Cl)c1 |r| Show InChI InChI=1S/C25H29Cl2FN2O4S/c1-15(18-9-19(26)11-20(27)10-18)30-7-5-16(6-8-30)14-34-24-13-23(28)22(12-21(24)17-3-4-17)25(31)29-35(2,32)33/h9-13,15-17H,3-8,14H2,1-2H3,(H,29,31)/t15-/m0/s1 | PDB
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TBA
| Assay Description
Inhibition of full length human Nav1.7 expressed in HEK cells by whole cell voltage clamp analysis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00049
BindingDB Entry DOI: 10.7270/Q2WW7NKS |
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| | PDB
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| 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)) | BDBM71064
(US9546164, 209 | US9694002, 209)Show SMILES CC(C)(N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C26H31Cl2FN2O4S/c1-26(2,18-10-19(27)12-20(28)11-18)31-8-6-16(7-9-31)15-35-24-14-23(29)22(13-21(24)17-4-5-17)25(32)30-36(3,33)34/h10-14,16-17H,4-9,15H2,1-3H3,(H,30,32) | PDB
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| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]GX-545 Nav1.7 (unknown origin) expressed in HEK cells by liquid scintillation counting based radioligand competition assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00049
BindingDB Entry DOI: 10.7270/Q2WW7NKS |
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
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| 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 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
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| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]GX-545 Nav1.7 (unknown origin) expressed in HEK cells by liquid scintillation counting based radioligand competition assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00049
BindingDB Entry DOI: 10.7270/Q2WW7NKS |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 7 subunit alpha
(Homo sapiens (Human)) | BDBM145369
(US8952169, 148 | US9771376, Example 148)Show SMILES Fc1cc(OCC23CC4CC(CC(C4)C2)C3)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1 |TLB:15:6:13:9.10.11,THB:5:6:13:9.10.11,15:10:13:6.14.7,14:6:9:13.12.11,14:12:9:6.15.7| Show InChI InChI=1S/C24H30FNO4S/c25-21-9-22(30-13-24-10-14-5-15(11-24)7-16(6-14)12-24)19(17-1-2-17)8-20(21)23(27)26-31(28,29)18-3-4-18/h8-9,14-18H,1-7,10-13H2,(H,26,27) | PDB
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| PC cid
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| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]GX-545 Nav1.7 (unknown origin) expressed in HEK cells by liquid scintillation counting based radioligand competition assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00049
BindingDB Entry DOI: 10.7270/Q2WW7NKS |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 7 subunit alpha
(Homo sapiens (Human)) | BDBM145281
(US8952169, 60 | US9771376, Example 60)Show SMILES CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC23CC4CC(CC(C4)C2)C3)cc1F |TLB:25:16:23:19.20.21,THB:15:16:23:19.20.21,25:20:23:16.24.17,24:16:19:23.22.21,24:22:19:16.25.17| Show InChI InChI=1S/C22H28FNO4S/c1-29(26,27)24-21(25)18-7-17(16-2-3-16)20(8-19(18)23)28-12-22-9-13-4-14(10-22)6-15(5-13)11-22/h7-8,13-16H,2-6,9-12H2,1H3,(H,24,25) | PDB
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| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]GX-545 Nav1.7 (unknown origin) expressed in HEK cells by liquid scintillation counting based radioligand competition assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00049
BindingDB Entry DOI: 10.7270/Q2WW7NKS |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 7 subunit alpha
(Homo sapiens (Human)) | BDBM70937
(US9546164, 100 | US9694002, 100)Show SMILES C[C@H](N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1cc(Cl)cc(Cl)c1 |r| Show InChI InChI=1S/C25H29Cl2FN2O4S/c1-15(18-9-19(26)11-20(27)10-18)30-7-5-16(6-8-30)14-34-24-13-23(28)22(12-21(24)17-3-4-17)25(31)29-35(2,32)33/h9-13,15-17H,3-8,14H2,1-2H3,(H,29,31)/t15-/m0/s1 | PDB
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| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]GX-545 Nav1.7 (unknown origin) expressed in HEK cells by liquid scintillation counting based radioligand competition assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00049
BindingDB Entry DOI: 10.7270/Q2WW7NKS |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 7 subunit alpha
(Homo sapiens (Human)) | BDBM70936
(US9546164, 99 | US9694002, 99)Show SMILES C[C@@H](N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1cc(Cl)cc(Cl)c1 |r| Show InChI InChI=1S/C25H29Cl2FN2O4S/c1-15(18-9-19(26)11-20(27)10-18)30-7-5-16(6-8-30)14-34-24-13-23(28)22(12-21(24)17-3-4-17)25(31)29-35(2,32)33/h9-13,15-17H,3-8,14H2,1-2H3,(H,29,31)/t15-/m1/s1 | PDB
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| PC cid
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Similars
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| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]GX-545 Nav1.7 (unknown origin) expressed in HEK cells by liquid scintillation counting based radioligand competition assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00049
BindingDB Entry DOI: 10.7270/Q2WW7NKS |
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| | PDB
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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)) | BDBM145375
(US8952169, 154)Show SMILES Fc1cc(OCC23CC4CC(CC(C4)C2)C3)c(cc1C(=O)NS(=O)(=O)N1CCCC1)C1CC1 |TLB:15:6:13:9.10.11,THB:5:6:13:9.10.11,15:10:13:6.14.7,14:6:9:13.12.11,14:12:9:6.15.7| Show InChI InChI=1S/C25H33FN2O4S/c26-22-11-23(32-15-25-12-16-7-17(13-25)9-18(8-16)14-25)20(19-3-4-19)10-21(22)24(29)27-33(30,31)28-5-1-2-6-28/h10-11,16-19H,1-9,12-15H2,(H,27,29) | PDB
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TBA
| Assay Description
Displacement of [3H]GX-545 Nav1.7 (unknown origin) expressed in HEK cells by liquid scintillation counting based radioligand competition assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00049
BindingDB Entry DOI: 10.7270/Q2WW7NKS |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 7 subunit alpha
(Homo sapiens (Human)) | BDBM145376
(US8952169, 155)Show SMILES Fc1cc(OCC23CC4CC(CC(C4)C2)C3)c(cc1C(=O)NS(=O)(=O)N1CCOCC1)C1CC1 |TLB:15:6:13:9.10.11,THB:5:6:13:9.10.11,15:10:13:6.14.7,14:6:9:13.12.11,14:12:9:6.15.7| Show InChI InChI=1S/C25H33FN2O5S/c26-22-11-23(33-15-25-12-16-7-17(13-25)9-18(8-16)14-25)20(19-1-2-19)10-21(22)24(29)27-34(30,31)28-3-5-32-6-4-28/h10-11,16-19H,1-9,12-15H2,(H,27,29) | PDB
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TBA
| Assay Description
Displacement of [3H]GX-545 Nav1.7 (unknown origin) expressed in HEK cells by liquid scintillation counting based radioligand competition assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00049
BindingDB Entry DOI: 10.7270/Q2WW7NKS |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 7 subunit alpha
(Homo sapiens (Human)) | BDBM70987
(US9546164, 139 | US9694002, 139)Show SMILES CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)cc1F Show InChI InChI=1S/C24H27Cl2FN2O4S/c1-34(31,32)28-24(30)21-11-20(17-2-3-17)23(12-22(21)27)33-14-15-4-6-29(7-5-15)13-16-8-18(25)10-19(26)9-16/h8-12,15,17H,2-7,13-14H2,1H3,(H,28,30) | PDB
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TBA
| Assay Description
Displacement of [3H]GX-545 Nav1.7 (unknown origin) expressed in HEK cells by liquid scintillation counting based radioligand competition assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00049
BindingDB Entry DOI: 10.7270/Q2WW7NKS |
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
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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
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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)) | BDBM50587016
(CHEMBL5091342)Show SMILES CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(CC2)C(c2ccccc2)c2ccccc2)cc1F | PDB
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TBA
| Assay Description
Displacement of [3H]GX-545 Nav1.7 (unknown origin) expressed in HEK cells by liquid scintillation counting based radioligand competition assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00049
BindingDB Entry DOI: 10.7270/Q2WW7NKS |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 7 subunit alpha
(Homo sapiens (Human)) | BDBM50587015
(CHEMBL5082739)Show SMILES Fc1cc(OCC23CC4CC(CC(C4)C2)C3)c(cc1C(=O)NS(=O)(=O)C1COC1)C1CC1 |THB:11:10:7:13.12.14,11:12:9.10.15:7,14:12:9:15.6.7,14:6:9:13.11.12| | PDB
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TBA
| Assay Description
Displacement of [3H]GX-545 Nav1.7 (unknown origin) expressed in HEK cells by liquid scintillation counting based radioligand competition assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00049
BindingDB Entry DOI: 10.7270/Q2WW7NKS |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 7 subunit alpha
(Homo sapiens (Human)) | BDBM145635
(US8952169, 440)Show SMILES CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CN(C2)C(c2ccccc2)c2ccccc2)cc1F Show InChI InChI=1S/C28H29FN2O4S/c1-36(33,34)30-28(32)24-14-23(20-12-13-20)26(15-25(24)29)35-18-19-16-31(17-19)27(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-11,14-15,19-20,27H,12-13,16-18H2,1H3,(H,30,32) | PDB
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TBA
| Assay Description
Displacement of [3H]GX-545 Nav1.7 (unknown origin) expressed in HEK cells by liquid scintillation counting based radioligand competition assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00049
BindingDB Entry DOI: 10.7270/Q2WW7NKS |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 7 subunit alpha
(Homo sapiens (Human)) | BDBM70981
(US9546164, 135 | US9694002, 135)Show SMILES CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(Cc3ccc(OC(F)(F)F)cc3)CC2)cc1F Show InChI InChI=1S/C25H28F4N2O5S/c1-37(33,34)30-24(32)21-12-20(18-4-5-18)23(13-22(21)26)35-15-17-8-10-31(11-9-17)14-16-2-6-19(7-3-16)36-25(27,28)29/h2-3,6-7,12-13,17-18H,4-5,8-11,14-15H2,1H3,(H,30,32) | PDB
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TBA
| Assay Description
Displacement of [3H]GX-545 Nav1.7 (unknown origin) expressed in HEK cells by liquid scintillation counting based radioligand competition assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00049
BindingDB Entry DOI: 10.7270/Q2WW7NKS |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 7 subunit alpha
(Homo sapiens (Human)) | BDBM71126
(US9546164, 253 | US9694002, 253)Show SMILES CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(CC2)C(=O)c2cc(Cl)cc(Cl)c2)cc1F Show InChI InChI=1S/C24H25Cl2FN2O5S/c1-35(32,33)28-23(30)20-11-19(15-2-3-15)22(12-21(20)27)34-13-14-4-6-29(7-5-14)24(31)16-8-17(25)10-18(26)9-16/h8-12,14-15H,2-7,13H2,1H3,(H,28,30) | PDB
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TBA
| Assay Description
Displacement of [3H]GX-545 Nav1.7 (unknown origin) expressed in HEK cells by liquid scintillation counting based radioligand competition assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00049
BindingDB Entry DOI: 10.7270/Q2WW7NKS |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 7 subunit alpha
(Homo sapiens (Human)) | BDBM50505259
(CHEMBL4454760)Show SMILES CSCC[C@@H]1NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@@H]3CCCN3C(=O)CN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H]3CSSC[C@H](NC(=O)[C@@H](NC1=O)C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c4ccccc14)C(=O)N[C@@H](CSSC[C@H](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)N2)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](CC(C)C)C(O)=O |r| Show InChI InChI=1S/C173H268N48O46S8/c1-88(2)69-116-154(249)208-121(75-96-79-189-102-32-15-13-30-100(96)102)159(254)215-125(162(257)197-104(34-17-22-60-175)143(238)192-103(33-16-21-59-174)142(237)193-105(35-18-23-61-176)145(240)205-117(70-89(3)4)155(250)211-123(171(266)267)71-90(5)6)82-270-273-85-128-167(262)216-127-84-272-271-83-126(214-157(252)118(72-93-41-45-97(224)46-42-93)206-156(251)119(73-94-43-47-98(225)48-44-94)210-168(263)131-40-28-66-221(131)135(229)77-179)164(259)202-111(49-53-132(180)226)149(244)195-106(36-19-24-62-177)146(241)207-120(74-95-78-188-101-31-14-12-29-99(95)101)158(253)203-115(58-68-269-11)151(246)200-112(50-54-133(181)227)152(247)220-140(92(9)223)170(265)218-130(166(261)209-122(76-138(234)235)160(255)212-124(81-222)161(256)201-113(52-56-137(232)233)150(245)196-108(38-26-64-186-172(182)183)144(239)194-107(148(243)213-128)37-20-25-63-178)87-275-274-86-129(165(260)198-109(147(242)204-116)39-27-65-187-173(184)185)217-169(264)139(91(7)8)219-153(248)114(57-67-268-10)191-134(228)80-190-141(236)110(199-163(127)258)51-55-136(230)231/h12-15,29-32,41-48,78-79,88-92,103-131,139-140,188-189,222-225H,16-28,33-40,49-77,80-87,174-179H2,1-11H3,(H2,180,226)(H2,181,227)(H,190,236)(H,191,228)(H,192,238)(H,193,237)(H,194,239)(H,195,244)(H,196,245)(H,197,257)(H,198,260)(H,199,258)(H,200,246)(H,201,256)(H,202,259)(H,203,253)(H,204,242)(H,205,240)(H,206,251)(H,207,241)(H,208,249)(H,209,261)(H,210,263)(H,211,250)(H,212,255)(H,213,243)(H,214,252)(H,215,254)(H,216,262)(H,217,264)(H,218,265)(H,219,248)(H,220,247)(H,230,231)(H,232,233)(H,234,235)(H,266,267)(H4,182,183,186)(H4,184,185,187)/t92-,103+,104+,105+,106+,107+,108+,109+,110+,111+,112+,113+,114+,115+,116+,117+,118+,119+,120+,121+,122+,123+,124+,125+,126+,127+,128+,129+,130+,131+,139+,140+/m1/s1 | PDB
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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)) | BDBM50240267
(CHEMBL2325014)Show SMILES Nc1[nH]ncc1-c1cc(Cl)ccc1Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1 Show InChI InChI=1S/C18H12Cl2FN5O3S2/c19-9-1-2-14(10(3-9)11-6-24-25-18(11)22)29-15-5-13(21)16(4-12(15)20)31(27,28)26-17-7-30-8-23-17/h1-8,26H,(H3,22,24,25) | PDB
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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)) | BDBM145369
(US8952169, 148 | US9771376, Example 148)Show SMILES Fc1cc(OCC23CC4CC(CC(C4)C2)C3)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1 |TLB:15:6:13:9.10.11,THB:5:6:13:9.10.11,15:10:13:6.14.7,14:6:9:13.12.11,14:12:9:6.15.7| Show InChI InChI=1S/C24H30FNO4S/c25-21-9-22(30-13-24-10-14-5-15(11-24)7-16(6-14)12-24)19(17-1-2-17)8-20(21)23(27)26-31(28,29)18-3-4-18/h8-9,14-18H,1-7,10-13H2,(H,26,27) | PDB
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TBA
| Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells incubated for 1 hr in presence of veratridine by sodium influx assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00049
BindingDB Entry DOI: 10.7270/Q2WW7NKS |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 7 subunit alpha
(Homo sapiens (Human)) | BDBM70937
(US9546164, 100 | US9694002, 100)Show SMILES C[C@H](N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1cc(Cl)cc(Cl)c1 |r| Show InChI InChI=1S/C25H29Cl2FN2O4S/c1-15(18-9-19(26)11-20(27)10-18)30-7-5-16(6-8-30)14-34-24-13-23(28)22(12-21(24)17-3-4-17)25(31)29-35(2,32)33/h9-13,15-17H,3-8,14H2,1-2H3,(H,29,31)/t15-/m0/s1 | PDB
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TBA
| Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells incubated for 1 hr in presence of veratridine by sodium influx assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00049
BindingDB Entry DOI: 10.7270/Q2WW7NKS |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 7 subunit alpha
(Homo sapiens (Human)) | BDBM50505256
(CHEMBL4547737)Show SMILES [H][C@@]12NC(=N)N[C@]11N(CCC1(O)O)C(=N)N[C@H]2COC(C)=O |r| Show InChI InChI=1S/C11H18N6O4/c1-5(18)21-4-6-7-11(16-8(12)15-7)10(19,20)2-3-17(11)9(13)14-6/h6-7,19-20H,2-4H2,1H3,(H2,13,14)(H3,12,15,16)/t6-,7-,11-/m0/s1 | PDB
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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)) | BDBM70943
(US9546164, 104 | US9694002, 104)Show SMILES CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(Cc3ccc(Cl)cc3)CC2)cc1F Show InChI InChI=1S/C24H28ClFN2O4S/c1-33(30,31)27-24(29)21-12-20(18-4-5-18)23(13-22(21)26)32-15-17-8-10-28(11-9-17)14-16-2-6-19(25)7-3-16/h2-3,6-7,12-13,17-18H,4-5,8-11,14-15H2,1H3,(H,27,29) | PDB
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TBA
| Assay Description
Displacement of [3H]GX-545 Nav1.7 (unknown origin) expressed in HEK cells by liquid scintillation counting based radioligand competition assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00049
BindingDB Entry DOI: 10.7270/Q2WW7NKS |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 7 subunit alpha
(Homo sapiens (Human)) | BDBM145635
(US8952169, 440)Show SMILES CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CN(C2)C(c2ccccc2)c2ccccc2)cc1F Show InChI InChI=1S/C28H29FN2O4S/c1-36(33,34)30-28(32)24-14-23(20-12-13-20)26(15-25(24)29)35-18-19-16-31(17-19)27(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-11,14-15,19-20,27H,12-13,16-18H2,1H3,(H,30,32) | PDB
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TBA
| Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells incubated for 1 hr in presence of veratridine by sodium influx assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00049
BindingDB Entry DOI: 10.7270/Q2WW7NKS |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 7 subunit alpha
(Homo sapiens (Human)) | BDBM145281
(US8952169, 60 | US9771376, Example 60)Show SMILES CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC23CC4CC(CC(C4)C2)C3)cc1F |TLB:25:16:23:19.20.21,THB:15:16:23:19.20.21,25:20:23:16.24.17,24:16:19:23.22.21,24:22:19:16.25.17| Show InChI InChI=1S/C22H28FNO4S/c1-29(26,27)24-21(25)18-7-17(16-2-3-16)20(8-19(18)23)28-12-22-9-13-4-14(10-22)6-15(5-13)11-22/h7-8,13-16H,2-6,9-12H2,1H3,(H,24,25) | PDB
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TBA
| Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells incubated for 1 hr in presence of veratridine by sodium influx assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00049
BindingDB Entry DOI: 10.7270/Q2WW7NKS |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 7 subunit alpha
(Homo sapiens (Human)) | BDBM71064
(US9546164, 209 | US9694002, 209)Show SMILES CC(C)(N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C26H31Cl2FN2O4S/c1-26(2,18-10-19(27)12-20(28)11-18)31-8-6-16(7-9-31)15-35-24-14-23(29)22(13-21(24)17-4-5-17)25(32)30-36(3,33)34/h10-14,16-17H,4-9,15H2,1-3H3,(H,30,32) | PDB
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TBA
| Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells incubated for 1 hr in presence of veratridine by sodium influx assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00049
BindingDB Entry DOI: 10.7270/Q2WW7NKS |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 7 subunit alpha
(Homo sapiens (Human)) | BDBM70981
(US9546164, 135 | US9694002, 135)Show SMILES CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(Cc3ccc(OC(F)(F)F)cc3)CC2)cc1F Show InChI InChI=1S/C25H28F4N2O5S/c1-37(33,34)30-24(32)21-12-20(18-4-5-18)23(13-22(21)26)35-15-17-8-10-31(11-9-17)14-16-2-6-19(7-3-16)36-25(27,28)29/h2-3,6-7,12-13,17-18H,4-5,8-11,14-15H2,1H3,(H,30,32) | PDB
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TBA
| Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells incubated for 1 hr in presence of veratridine by sodium influx assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00049
BindingDB Entry DOI: 10.7270/Q2WW7NKS |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 7 subunit alpha
(Homo sapiens (Human)) | BDBM71126
(US9546164, 253 | US9694002, 253)Show SMILES CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(CC2)C(=O)c2cc(Cl)cc(Cl)c2)cc1F Show InChI InChI=1S/C24H25Cl2FN2O5S/c1-35(32,33)28-23(30)20-11-19(15-2-3-15)22(12-21(20)27)34-13-14-4-6-29(7-5-14)24(31)16-8-17(25)10-18(26)9-16/h8-12,14-15H,2-7,13H2,1H3,(H,28,30) | PDB
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TBA
| Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells incubated for 1 hr in presence of veratridine by sodium influx assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00049
BindingDB Entry DOI: 10.7270/Q2WW7NKS |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 7 subunit alpha
(Homo sapiens (Human)) | BDBM70936
(US9546164, 99 | US9694002, 99)Show SMILES C[C@@H](N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1cc(Cl)cc(Cl)c1 |r| Show InChI InChI=1S/C25H29Cl2FN2O4S/c1-15(18-9-19(26)11-20(27)10-18)30-7-5-16(6-8-30)14-34-24-13-23(28)22(12-21(24)17-3-4-17)25(31)29-35(2,32)33/h9-13,15-17H,3-8,14H2,1-2H3,(H,29,31)/t15-/m1/s1 | PDB
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TBA
| Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells incubated for 1 hr in presence of veratridine by sodium influx assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00049
BindingDB Entry DOI: 10.7270/Q2WW7NKS |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 7 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
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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)) | BDBM50587015
(CHEMBL5082739)Show SMILES Fc1cc(OCC23CC4CC(CC(C4)C2)C3)c(cc1C(=O)NS(=O)(=O)C1COC1)C1CC1 |THB:11:10:7:13.12.14,11:12:9.10.15:7,14:12:9:15.6.7,14:6:9:13.11.12| | PDB
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TBA
| Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells incubated for 1 hr in presence of veratridine by sodium influx assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00049
BindingDB Entry DOI: 10.7270/Q2WW7NKS |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 7 subunit alpha
(Homo sapiens (Human)) | BDBM70943
(US9546164, 104 | US9694002, 104)Show SMILES CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(Cc3ccc(Cl)cc3)CC2)cc1F Show InChI InChI=1S/C24H28ClFN2O4S/c1-33(30,31)27-24(29)21-12-20(18-4-5-18)23(13-22(21)26)32-15-17-8-10-28(11-9-17)14-16-2-6-19(25)7-3-16/h2-3,6-7,12-13,17-18H,4-5,8-11,14-15H2,1H3,(H,27,29) | PDB
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TBA
| Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells incubated for 1 hr in presence of veratridine by sodium influx assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00049
BindingDB Entry DOI: 10.7270/Q2WW7NKS |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 7 subunit alpha
(Homo sapiens (Human)) | BDBM50505260
(CHEMBL4458532)Show SMILES [H][C@@]12NC(=N)N[C@]11N(C[C@H](NC(=O)c3cccc4c3CCC4(C)C)C1(O)O)C(=N)N[C@H]2CN1C(=O)CCC1=O |r| Show InChI InChI=1S/C25H32N8O5/c1-23(2)9-8-12-13(4-3-5-14(12)23)20(36)29-16-11-33-22(27)28-15(10-32-17(34)6-7-18(32)35)19-24(33,25(16,37)38)31-21(26)30-19/h3-5,15-16,19,37-38H,6-11H2,1-2H3,(H2,27,28)(H,29,36)(H3,26,30,31)/t15-,16-,19-,24-/m0/s1 | PDB
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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)) | 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
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TBA
| Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells incubated for 1 hr in presence of veratridine by sodium influx assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00049
BindingDB Entry DOI: 10.7270/Q2WW7NKS |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 7 subunit alpha
(Homo sapiens (Human)) | BDBM50334150
(1-(1-(4,4-bis(4-fluorophenyl)butyl)piperidin-4-yl)...)Show SMILES Fc1ccc(cc1)C(CCCN1CCC(CC1)n1c2ccccc2[nH]c1=O)c1ccc(F)cc1 Show InChI InChI=1S/C28H29F2N3O/c29-22-11-7-20(8-12-22)25(21-9-13-23(30)14-10-21)4-3-17-32-18-15-24(16-19-32)33-27-6-2-1-5-26(27)31-28(33)34/h1-2,5-14,24-25H,3-4,15-19H2,(H,31,34) | PDB
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University of Oxford
Curated by ChEMBL
| Assay Description
Inhibition of Na channel (species unknown) |
Cardiovasc Res 91: 53-61 (2011)
Article DOI: 10.1093/cvr/cvr044
BindingDB Entry DOI: 10.7270/Q2NP264F |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 7 subunit alpha
(Homo sapiens (Human)) | BDBM206760
(US9260446, (I-S) | US9695185, I-S)Show SMILES FC(F)(F)c1ccc(CN2C(=O)[C@@]3(COc4cc5OCOc5cc34)c3ccccc23)o1 Show InChI InChI=1S/C22H14F3NO5/c23-22(24,25)19-6-5-12(31-19)9-26-15-4-2-1-3-13(15)21(20(26)27)10-28-16-8-18-17(7-14(16)21)29-11-30-18/h1-8H,9-11H2/t21-/m0/s1 | PDB
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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)) | BDBM50017659
(2-(Dimethylamino)ethyl p-(butylamino)benzoate | 2-...)Show InChI InChI=1S/C15H24N2O2/c1-4-5-10-16-14-8-6-13(7-9-14)15(18)19-12-11-17(2)3/h6-9,16H,4-5,10-12H2,1-3H3 | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.116743
BindingDB Entry DOI: 10.7270/Q2BP06V9 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 7 subunit alpha
(Homo sapiens (Human)) | BDBM50587016
(CHEMBL5091342)Show SMILES CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(CC2)C(c2ccccc2)c2ccccc2)cc1F | PDB
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TBA
| Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells incubated for 1 hr in presence of veratridine by sodium influx assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00049
BindingDB Entry DOI: 10.7270/Q2WW7NKS |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 7 subunit alpha
(Homo sapiens (Human)) | BDBM50600343
(CHEMBL5196338) | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.116743
BindingDB Entry DOI: 10.7270/Q2BP06V9 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 7 subunit alpha
(Homo sapiens (Human)) | BDBM50595872
(CHEMBL5176104)Show SMILES [H][C@@]12NC(=N)N[C@]11N(C[C@H](NC(=O)c3cccc4CCCCc34)C1(O)O)C(=N)N[C@H]2CN1C(=O)CCC1=O |r| | PDB
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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)) | BDBM50600347
(CHEMBL5208962)Show SMILES O=C(COc1ccc2cc(Oc3ccc(cc3)C#N)ccc2n1)N1CCNCC1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.116743
BindingDB Entry DOI: 10.7270/Q2BP06V9 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 7 subunit alpha
(Homo sapiens (Human)) | BDBM50600348
(CHEMBL5178152)Show SMILES CN1CCN(CC1)C(=O)COc1ccc2cc(Oc3ccc(cc3)C#N)ccc2n1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.116743
BindingDB Entry DOI: 10.7270/Q2BP06V9 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 7 subunit alpha
(Homo sapiens (Human)) | BDBM50600344
(CHEMBL5202508) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.116743
BindingDB Entry DOI: 10.7270/Q2BP06V9 |
More data for this
Ligand-Target Pair | |
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