Found 1543 hits with Last Name = 'butler' and Initial = 'jr' 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
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UniProtKB/SwissProt
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DrugBank
antibodypedia
GoogleScholar
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| 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)) | BDBM217522
(US9212182, 367 | US9212182, 368)Show SMILES COc1cc(c(Cl)cc1-n1c2ccc(cc2ccc1=O)S(=O)(=O)Nc1ccncn1)-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/C27H20Cl2N4O4S/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)32-26-9-10-30-15-31-26/h3-15H,1-2H3,(H,30,31,32) | PDB
KEGG
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DrugBank
antibodypedia
GoogleScholar
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
US Patent
| Assay Description
HEK 293 cells stably transfected with human Nav1.7 were recorded in whole cell voltage clamp mode with the PatchXpress automated electrophysiology sy... |
US Patent US9212182 (2015)
BindingDB Entry DOI: 10.7270/Q2TT4PTW |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM217840
(US9212182, 1074)Show SMILES COc1cc(c(F)cc1-n1c2ccc(cc2ccc1=O)S(=O)(=O)Nc1nncs1)-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/C25H18ClFN4O4S2/c1-14-9-15(3-6-19(14)26)18-11-23(35-2)22(12-20(18)27)31-21-7-5-17(10-16(21)4-8-24(31)32)37(33,34)30-25-29-28-13-36-25/h3-13H,1-2H3,(H,29,30) | PDB
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AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
US Patent
| Assay Description
HEK 293 cells stably transfected with human Nav1.7 were recorded in whole cell voltage clamp mode with the PatchXpress automated electrophysiology sy... |
US Patent US9212182 (2015)
BindingDB Entry DOI: 10.7270/Q2TT4PTW |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM217776
(US9212182, 1029)Show SMILES COc1cc(ccc1-n1c2ccc(cc2ccc1=O)S(=O)(=O)Nc1ccon1)-c1cc(Cl)ccc1C |(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,;,-12.32,;2.67,-12.32,;4,-11.55,;4,-10.01,;5.33,-9.24,)| Show InChI InChI=1S/C26H20ClN3O5S/c1-16-3-6-19(27)15-21(16)17-4-8-23(24(14-17)34-2)30-22-9-7-20(13-18(22)5-10-26(30)31)36(32,33)29-25-11-12-35-28-25/h3-15H,1-2H3,(H,28,29) | PDB
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UniProtKB/SwissProt
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AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
US Patent
| Assay Description
HEK 293 cells stably transfected with human Nav1.7 were recorded in whole cell voltage clamp mode with the PatchXpress automated electrophysiology sy... |
US Patent US9212182 (2015)
BindingDB Entry DOI: 10.7270/Q2TT4PTW |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM444935
(6-((4'-fluoro-3-methoxy-3'-(trifluoromethoxy)-4- |...)Show SMILES CNC(=O)N(c1ccc(cn1)S(=O)(=O)Nc1ncccn1)c1ccc(cc1OC)-c1ccc(F)c(OC(F)(F)F)c1 Show InChI InChI=1S/C25H20F4N6O5S/c1-30-24(36)35(22-9-6-17(14-33-22)41(37,38)34-23-31-10-3-11-32-23)19-8-5-16(13-21(19)39-2)15-4-7-18(26)20(12-15)40-25(27,28)29/h3-14H,1-2H3,(H,30,36)(H,31,32,34) | PDB
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
AMGEN INC.
US Patent
| Assay Description
HEK 293 cells stably transfected with human Nav1.7 were recorded in whole cell voltage clamp mode with the PatchXpress automated electrophysiology sy... |
US Patent US10668067 (2020)
BindingDB Entry DOI: 10.7270/Q2QC06K1 |
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
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antibodypedia
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AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
US Patent
| Assay Description
HEK 293 cells stably transfected with human Nav1.7 were recorded in whole cell voltage clamp mode with the PatchXpress automated electrophysiology sy... |
US Patent US9212182 (2015)
BindingDB Entry DOI: 10.7270/Q2TT4PTW |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM217534
(US9212182, 501 | US9212182, 502)Show SMILES COc1cc(Cl)cc(c1)-c1cc(OC)c(cc1F)-n1c2ccc(cc2ccc1=O)S(=O)(=O)Nc1ccon1 |(,-13.86,;,-12.32,;1.33,-11.55,;2.67,-12.32,;4,-11.55,;5.33,-12.32,;4,-10.01,;2.67,-9.24,;1.33,-10.01,;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,;-5.25,3.22,;-4.77,4.68,;-3.23,4.68,;-2.76,3.22,)| Show InChI InChI=1S/C26H19ClFN3O6S/c1-35-18-10-16(9-17(27)12-18)20-13-24(36-2)23(14-21(20)28)31-22-5-4-19(11-15(22)3-6-26(31)32)38(33,34)30-25-7-8-37-29-25/h3-14H,1-2H3,(H,29,30) | PDB
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
US Patent
| Assay Description
HEK 293 cells stably transfected with human Nav1.7 were recorded in whole cell voltage clamp mode with the PatchXpress automated electrophysiology sy... |
US Patent US9212182 (2015)
BindingDB Entry DOI: 10.7270/Q2TT4PTW |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM217665
(US9212182, 922)Show SMILES COc1cc(c(F)cc1-n1c2ccc(cc2ccc1=O)S(=O)(=O)Nc1cnsn1)-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/C24H15ClF2N4O4S2/c1-35-22-10-18(14-6-15(25)9-16(26)7-14)19(27)11-21(22)31-20-4-3-17(8-13(20)2-5-24(31)32)37(33,34)30-23-12-28-36-29-23/h2-12H,1H3,(H,29,30) | PDB
KEGG
UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
US Patent
| Assay Description
HEK 293 cells stably transfected with human Nav1.7 were recorded in whole cell voltage clamp mode with the PatchXpress automated electrophysiology sy... |
US Patent US9212182 (2015)
BindingDB Entry DOI: 10.7270/Q2TT4PTW |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM217424
(US9212182, 533 | US9212182, 534)Show SMILES COc1cc(c(Cl)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/C26H17ClF3N3O5S/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
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
US Patent
| Assay Description
HEK 293 cells stably transfected with human Nav1.7 were recorded in whole cell voltage clamp mode with the PatchXpress automated electrophysiology sy... |
US Patent US9212182 (2015)
BindingDB Entry DOI: 10.7270/Q2TT4PTW |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM217841
(US9212182, 1075)Show SMILES COc1cc(c(F)cc1-n1c2ccc(cc2ccc1=O)S(=O)(=O)Nc1ncns1)-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,;-2.76,3.22,;-3.23,4.68,;-4.77,4.68,;-5.25,3.22,;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/C25H18ClFN4O4S2/c1-14-9-15(3-6-19(14)26)18-11-23(35-2)22(12-20(18)27)31-21-7-5-17(10-16(21)4-8-24(31)32)37(33,34)30-25-28-13-29-36-25/h3-13H,1-2H3,(H,28,29,30) | PDB
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
US Patent
| Assay Description
HEK 293 cells stably transfected with human Nav1.7 were recorded in whole cell voltage clamp mode with the PatchXpress automated electrophysiology sy... |
US Patent US9212182 (2015)
BindingDB Entry DOI: 10.7270/Q2TT4PTW |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM217885
(US9212182, 790)Show SMILES COc1cc(c(F)cc1-n1c2ccc(cc2ccc1=O)S(=O)(=O)Nc1ccon1)-c1cccc(c1)C1CC1 |(-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,;6.87,-12.32,;6.1,-13.65,)| Show InChI InChI=1S/C28H22FN3O5S/c1-36-26-15-22(19-4-2-3-18(13-19)17-5-6-17)23(29)16-25(26)32-24-9-8-21(14-20(24)7-10-28(32)33)38(34,35)31-27-11-12-37-30-27/h2-4,7-17H,5-6H2,1H3,(H,30,31) | PDB
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AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
US Patent
| Assay Description
HEK 293 cells stably transfected with human Nav1.7 were recorded in whole cell voltage clamp mode with the PatchXpress automated electrophysiology sy... |
US Patent US9212182 (2015)
BindingDB Entry DOI: 10.7270/Q2TT4PTW |
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
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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)) | BDBM217984
(US9212182, 700)Show SMILES COc1cc(ccc1Cl)-c1cc(OC)c(cc1F)-n1c2ccc(cc2ccc1=O)S(=O)(=O)Nc1ccon1 |(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,;-5.25,3.22,;-4.77,4.68,;-3.23,4.68,;-2.76,3.22,)| Show InChI InChI=1S/C26H19ClFN3O6S/c1-35-23-12-15(3-6-19(23)27)18-13-24(36-2)22(14-20(18)28)31-21-7-5-17(11-16(21)4-8-26(31)32)38(33,34)30-25-9-10-37-29-25/h3-14H,1-2H3,(H,29,30) | PDB
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Amgen Inc.
US Patent
| Assay Description
HEK 293 cells stably transfected with human Nav1.7 were recorded in whole cell voltage clamp mode with the PatchXpress automated electrophysiology sy... |
US Patent US9212182 (2015)
BindingDB Entry DOI: 10.7270/Q2TT4PTW |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM217987
(US9212182, 703)Show SMILES COc1cc(c(F)cc1-n1c2ccc(cc2ccc1=O)S(=O)(=O)Nc1ccon1)-c1cccc(Cl)c1F |(-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,;5.33,-9.24,)| Show InChI InChI=1S/C25H16ClF2N3O5S/c1-35-22-12-17(16-3-2-4-18(26)25(16)28)19(27)13-21(22)31-20-7-6-15(11-14(20)5-8-24(31)32)37(33,34)30-23-9-10-36-29-23/h2-13H,1H3,(H,29,30) | PDB
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Amgen Inc.
US Patent
| Assay Description
HEK 293 cells stably transfected with human Nav1.7 were recorded in whole cell voltage clamp mode with the PatchXpress automated electrophysiology sy... |
US Patent US9212182 (2015)
BindingDB Entry DOI: 10.7270/Q2TT4PTW |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM217451
(US9212182, 326)Show SMILES COc1cc(c(F)cc1-n1c2ccc(cc2ccc1=O)S(=O)(=O)Nc1ncco1)-c1cc(F)cc(Cl)c1 |(-1.09,-5.71,;,-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)2-5-24(31)32)37(33,34)30-25-29-6-7-36-25/h2-13H,1H3,(H,29,30) | PDB
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Amgen Inc.
US Patent
| Assay Description
HEK 293 cells stably transfected with human Nav1.7 were recorded in whole cell voltage clamp mode with the PatchXpress automated electrophysiology sy... |
US Patent US9212182 (2015)
BindingDB Entry DOI: 10.7270/Q2TT4PTW |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM217828
(US9212182, 662)Show SMILES COc1cc(c(F)cc1-n1c2ccc(cc2ccc1=O)S(=O)(=O)Nc1ccncn1)-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)32-26-9-10-30-15-31-26/h3-15H,1-2H3,(H,30,31,32) | PDB
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Amgen Inc.
US Patent
| Assay Description
HEK 293 cells stably transfected with human Nav1.7 were recorded in whole cell voltage clamp mode with the PatchXpress automated electrophysiology sy... |
US Patent US9212182 (2015)
BindingDB Entry DOI: 10.7270/Q2TT4PTW |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM217715
(US9212182, 969)Show SMILES COc1cc(Cl)cc(c1)-c1cc(OC)c(cc1C)-n1c2ccc(cc2ccc1=O)S(=O)(=O)Nc1ncccn1 |(,-13.86,;,-12.32,;1.33,-11.55,;2.67,-12.32,;4,-11.55,;5.33,-12.32,;4,-10.01,;2.67,-9.24,;1.33,-10.01,;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/C28H23ClN4O5S/c1-17-11-25(26(38-3)16-23(17)19-12-20(29)15-21(13-19)37-2)33-24-7-6-22(14-18(24)5-8-27(33)34)39(35,36)32-28-30-9-4-10-31-28/h4-16H,1-3H3,(H,30,31,32) | PDB
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Amgen Inc.
US Patent
| Assay Description
HEK 293 cells stably transfected with human Nav1.7 were recorded in whole cell voltage clamp mode with the PatchXpress automated electrophysiology sy... |
US Patent US9212182 (2015)
BindingDB Entry DOI: 10.7270/Q2TT4PTW |
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
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Amgen Inc.
US Patent
| Assay Description
HEK 293 cells stably transfected with human Nav1.7 were recorded in whole cell voltage clamp mode with the PatchXpress automated electrophysiology sy... |
US Patent US9212182 (2015)
BindingDB Entry DOI: 10.7270/Q2TT4PTW |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM218033
(US9212182, 743)Show SMILES COc1cc(c(F)cc1-n1c2ccc(cc2ccc1=O)S(=O)(=O)Nc1ccon1)-c1cc(Cl)ccc1C |(-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,;4,-10.01,;5.33,-9.24,)| Show InChI InChI=1S/C26H19ClFN3O5S/c1-15-3-5-17(27)12-19(15)20-13-24(35-2)23(14-21(20)28)31-22-7-6-18(11-16(22)4-8-26(31)32)37(33,34)30-25-9-10-36-29-25/h3-14H,1-2H3,(H,29,30) | PDB
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Amgen Inc.
US Patent
| Assay Description
HEK 293 cells stably transfected with human Nav1.7 were recorded in whole cell voltage clamp mode with the PatchXpress automated electrophysiology sy... |
US Patent US9212182 (2015)
BindingDB Entry DOI: 10.7270/Q2TT4PTW |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM444908
(6-((2-chloro-4'-fluoro-5-methoxy-3'-(trifluorometh...)Show SMILES CNC(=O)N(c1ccc(cn1)S(=O)(=O)Nc1ccon1)c1cc(Cl)c(cc1OC)-c1ccc(F)c(OC(F)(F)F)c1 Show InChI InChI=1S/C24H18ClF4N5O6S/c1-30-23(35)34(22-6-4-14(12-31-22)41(36,37)33-21-7-8-39-32-21)18-11-16(25)15(10-20(18)38-2)13-3-5-17(26)19(9-13)40-24(27,28)29/h3-12H,1-2H3,(H,30,35)(H,32,33) | PDB
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AMGEN INC.
US Patent
| Assay Description
HEK 293 cells stably transfected with human Nav1.7 were recorded in whole cell voltage clamp mode with the PatchXpress automated electrophysiology sy... |
US Patent US10668067 (2020)
BindingDB Entry DOI: 10.7270/Q2QC06K1 |
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
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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)) | BDBM217998
(US9212182, 712)Show SMILES COc1cc(c(F)cc1-n1c2ccc(cc2ccc1=O)S(=O)(=O)Nc1ccon1)-c1cccc(Cl)c1C |(-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,;5.33,-9.24,)| Show InChI InChI=1S/C26H19ClFN3O5S/c1-15-18(4-3-5-20(15)27)19-13-24(35-2)23(14-21(19)28)31-22-8-7-17(12-16(22)6-9-26(31)32)37(33,34)30-25-10-11-36-29-25/h3-14H,1-2H3,(H,29,30) | PDB
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Amgen Inc.
US Patent
| Assay Description
HEK 293 cells stably transfected with human Nav1.7 were recorded in whole cell voltage clamp mode with the PatchXpress automated electrophysiology sy... |
US Patent US9212182 (2015)
BindingDB Entry DOI: 10.7270/Q2TT4PTW |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM218002
(US9212182, 716)Show SMILES COc1cc(c(F)cc1-n1c2ccc(cc2ccc1=O)S(=O)(=O)Nc1ccon1)-c1cc(C)ccc1Cl |(-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,;4,-10.01,;5.33,-9.24,)| Show InChI InChI=1S/C26H19ClFN3O5S/c1-15-3-6-20(27)18(11-15)19-13-24(35-2)23(14-21(19)28)31-22-7-5-17(12-16(22)4-8-26(31)32)37(33,34)30-25-9-10-36-29-25/h3-14H,1-2H3,(H,29,30) | PDB
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Amgen Inc.
US Patent
| Assay Description
HEK 293 cells stably transfected with human Nav1.7 were recorded in whole cell voltage clamp mode with the PatchXpress automated electrophysiology sy... |
US Patent US9212182 (2015)
BindingDB Entry DOI: 10.7270/Q2TT4PTW |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM217864
(US9212182, 1095)Show SMILES COc1cc(ccc1-n1c2ccc(cc2ccc1=O)S(=O)(=O)Nc1cccnn1)-c1cc(F)cc(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,;-5.33,3.08,;-5.33,4.62,;-4,5.39,;-2.67,4.62,;-2.67,3.08,;2.67,-9.24,;4,-10.01,;4,-11.55,;5.33,-12.32,;2.67,-12.32,;1.33,-11.55,;1.33,-10.01,;,-12.32,;-1.33,-13.09,;-.77,-10.99,;.77,-13.65,)| Show InChI InChI=1S/C27H18F4N4O4S/c1-39-24-14-16(18-11-19(27(29,30)31)15-20(28)12-18)4-7-23(24)35-22-8-6-21(13-17(22)5-9-26(35)36)40(37,38)34-25-3-2-10-32-33-25/h2-15H,1H3,(H,33,34) | PDB
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Amgen Inc.
US Patent
| Assay Description
HEK 293 cells stably transfected with human Nav1.7 were recorded in whole cell voltage clamp mode with the PatchXpress automated electrophysiology sy... |
US Patent US9212182 (2015)
BindingDB Entry DOI: 10.7270/Q2TT4PTW |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM217883
(US9212182, 788)Show SMILES COc1cc(ccc1-n1c2ccc(cc2ccc1=O)S(=O)(=O)Nc1ccon1)-c1cccc(c1)C1CC1 |(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,;4,-11.55,;4,-10.01,;5.33,-12.32,;6.87,-12.32,;6.1,-13.65,)| Show InChI InChI=1S/C28H23N3O5S/c1-35-26-17-21(20-4-2-3-19(15-20)18-5-6-18)7-10-25(26)31-24-11-9-23(16-22(24)8-12-28(31)32)37(33,34)30-27-13-14-36-29-27/h2-4,7-18H,5-6H2,1H3,(H,29,30) | PDB
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Amgen Inc.
US Patent
| Assay Description
HEK 293 cells stably transfected with human Nav1.7 were recorded in whole cell voltage clamp mode with the PatchXpress automated electrophysiology sy... |
US Patent US9212182 (2015)
BindingDB Entry DOI: 10.7270/Q2TT4PTW |
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
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Amgen Inc.
US Patent
| Assay Description
HEK 293 cells stably transfected with human Nav1.7 were recorded in whole cell voltage clamp mode with the PatchXpress automated electrophysiology sy... |
US Patent US9212182 (2015)
BindingDB Entry DOI: 10.7270/Q2TT4PTW |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM217837
(US9212182, 663)Show SMILES COc1cc(c(F)cc1-n1c2ccc(cc2ccc1=O)S(=O)(=O)Nc1ncon1)-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(3-6-19(14)26)18-11-23(35-2)22(12-20(18)27)31-21-7-5-17(10-16(21)4-8-24(31)32)37(33,34)30-25-28-13-36-29-25/h3-13H,1-2H3,(H,29,30) | PDB
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Amgen Inc.
US Patent
| Assay Description
HEK 293 cells stably transfected with human Nav1.7 were recorded in whole cell voltage clamp mode with the PatchXpress automated electrophysiology sy... |
US Patent US9212182 (2015)
BindingDB Entry DOI: 10.7270/Q2TT4PTW |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM217669
(US9212182, 926)Show SMILES COc1cc(Cl)cc(c1)-c1cc(OC)c(cc1F)-n1c2ccc(cc2ccc1=O)S(=O)(=O)Nc1ncco1 |(,-13.86,;,-12.32,;1.33,-11.55,;2.67,-12.32,;4,-11.55,;5.33,-12.32,;4,-10.01,;2.67,-9.24,;1.33,-10.01,;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,;-5.25,3.22,;-4.77,4.68,;-3.23,4.68,;-2.76,3.22,)| Show InChI InChI=1S/C26H19ClFN3O6S/c1-35-18-10-16(9-17(27)12-18)20-13-24(36-2)23(14-21(20)28)31-22-5-4-19(11-15(22)3-6-25(31)32)38(33,34)30-26-29-7-8-37-26/h3-14H,1-2H3,(H,29,30) | PDB
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Amgen Inc.
US Patent
| Assay Description
HEK 293 cells stably transfected with human Nav1.7 were recorded in whole cell voltage clamp mode with the PatchXpress automated electrophysiology sy... |
US Patent US9212182 (2015)
BindingDB Entry DOI: 10.7270/Q2TT4PTW |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM217677
(US9212182, 934)Show SMILES COc1cc(c(F)cc1-n1c2ccc(cc2ccc1=O)S(=O)(=O)Nc1ccnc(C)n1)-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,;-6.67,5.39,;-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/C27H19ClF2N4O4S/c1-15-31-8-7-26(32-15)33-39(36,37)20-4-5-23-16(11-20)3-6-27(35)34(23)24-14-22(30)21(13-25(24)38-2)17-9-18(28)12-19(29)10-17/h3-14H,1-2H3,(H,31,32,33) | PDB
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Amgen Inc.
US Patent
| Assay Description
HEK 293 cells stably transfected with human Nav1.7 were recorded in whole cell voltage clamp mode with the PatchXpress automated electrophysiology sy... |
US Patent US9212182 (2015)
BindingDB Entry DOI: 10.7270/Q2TT4PTW |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM217726
(US9212182, 1001 | US9212182, 1002 | US9212182, 978)Show SMILES COc1cc(c(F)cc1-n1c2ccc(cc2ncc1=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/C26H19ClFN5O4S/c1-15-10-16(4-6-19(15)27)18-12-24(37-2)23(13-20(18)28)33-22-7-5-17(11-21(22)31-14-25(33)34)38(35,36)32-26-29-8-3-9-30-26/h3-14H,1-2H3,(H,29,30,32) | PDB
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Amgen Inc.
US Patent
| Assay Description
HEK 293 cells stably transfected with human Nav1.7 were recorded in whole cell voltage clamp mode with the PatchXpress automated electrophysiology sy... |
US Patent US9212182 (2015)
BindingDB Entry DOI: 10.7270/Q2TT4PTW |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM217469
(US9212182, 461 | US9212182, 462)Show SMILES COc1cc(c(Cl)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/C25H16Cl2FN3O5S/c1-35-23-12-19(15-8-16(26)11-17(28)9-15)20(27)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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Amgen Inc.
US Patent
| Assay Description
HEK 293 cells stably transfected with human Nav1.7 were recorded in whole cell voltage clamp mode with the PatchXpress automated electrophysiology sy... |
US Patent US9212182 (2015)
BindingDB Entry DOI: 10.7270/Q2TT4PTW |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM217813
(US9212182, 1067)Show SMILES COc1cc(ccc1-n1c2ccc(cc2ccc1=O)S(=O)(=O)Nc1ncco1)-c1cc(Cl)ccc1C |(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,;,-12.32,;2.67,-12.32,;4,-11.55,;4,-10.01,;5.33,-9.24,)| Show InChI InChI=1S/C26H20ClN3O5S/c1-16-3-6-19(27)15-21(16)17-4-8-23(24(14-17)34-2)30-22-9-7-20(13-18(22)5-10-25(30)31)36(32,33)29-26-28-11-12-35-26/h3-15H,1-2H3,(H,28,29) | PDB
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Amgen Inc.
US Patent
| Assay Description
HEK 293 cells stably transfected with human Nav1.7 were recorded in whole cell voltage clamp mode with the PatchXpress automated electrophysiology sy... |
US Patent US9212182 (2015)
BindingDB Entry DOI: 10.7270/Q2TT4PTW |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM444954
(6-((2,4'-difluoro-5-methoxy-3'-(trifluoromethoxy)-...)Show SMILES CNC(=O)N(c1ccc(cn1)S(=O)(=O)Nc1cccnn1)c1cc(F)c(cc1OC)-c1ccc(F)c(OC(F)(F)F)c1 Show InChI InChI=1S/C25H19F5N6O5S/c1-31-24(37)36(23-8-6-15(13-32-23)42(38,39)35-22-4-3-9-33-34-22)19-12-18(27)16(11-21(19)40-2)14-5-7-17(26)20(10-14)41-25(28,29)30/h3-13H,1-2H3,(H,31,37)(H,34,35) | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128892
BindingDB Entry DOI: 10.7270/Q29027RX |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM217544
(US9212182, 508 | US9212182, 509)Show SMILES COc1cc(c(F)cc1-n1c2ccc(cc2ccc1=O)S(=O)(=O)Nc1ccon1)-c1ccc(Cl)c(c1)C#N |(-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,;4,-10.01,;5.33,-12.32,;6.67,-13.09,)| Show InChI InChI=1S/C26H16ClFN4O5S/c1-36-24-12-19(15-2-5-20(27)17(10-15)14-29)21(28)13-23(24)32-22-6-4-18(11-16(22)3-7-26(32)33)38(34,35)31-25-8-9-37-30-25/h2-13H,1H3,(H,30,31) | PDB
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Amgen Inc.
US Patent
| Assay Description
HEK 293 cells stably transfected with human Nav1.7 were recorded in whole cell voltage clamp mode with the PatchXpress automated electrophysiology sy... |
US Patent US9212182 (2015)
BindingDB Entry DOI: 10.7270/Q2TT4PTW |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM444965
(6-((1-(2-chloro-5-methoxy-3'-(trifluoromethyl)-[1,...)Show SMILES COc1cc(c(Cl)cc1N(C(N)=O)c1ccc(cn1)S(=O)(=O)Nc1ccon1)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C23H17ClF3N5O5S/c1-36-19-10-16(13-3-2-4-14(9-13)23(25,26)27)17(24)11-18(19)32(22(28)33)21-6-5-15(12-29-21)38(34,35)31-20-7-8-37-30-20/h2-12H,1H3,(H2,28,33)(H,30,31) | PDB
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AMGEN INC.
US Patent
| Assay Description
HEK 293 cells stably transfected with human Nav1.7 were recorded in whole cell voltage clamp mode with the PatchXpress automated electrophysiology sy... |
US Patent US10668067 (2020)
BindingDB Entry DOI: 10.7270/Q2QC06K1 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM444968
(6-((carbamoyl(2-chloro-3',5-dimethoxy-5'-(trifluor...)Show SMILES COc1cc(cc(c1)C(F)(F)F)-c1cc(OC)c(cc1Cl)N(C(N)=O)c1ccc(cn1)S(=O)(=O)Nc1ccon1 Show InChI InChI=1S/C24H19ClF3N5O6S/c1-37-15-8-13(7-14(9-15)24(26,27)28)17-10-20(38-2)19(11-18(17)25)33(23(29)34)22-4-3-16(12-30-22)40(35,36)32-21-5-6-39-31-21/h3-12H,1-2H3,(H2,29,34)(H,31,32) | PDB
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AMGEN INC.
US Patent
| Assay Description
HEK 293 cells stably transfected with human Nav1.7 were recorded in whole cell voltage clamp mode with the PatchXpress automated electrophysiology sy... |
US Patent US10668067 (2020)
BindingDB Entry DOI: 10.7270/Q2QC06K1 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM444931
(6-((3'-chloro-2,4'-difluoro-5-methoxy-4- | US10668...)Show SMILES CNC(=O)N(c1ccc(cn1)S(=O)(=O)Nc1ncccn1)c1cc(F)c(cc1OC)-c1ccc(F)c(c1)C(F)F Show InChI InChI=1S/C25H20F4N6O4S/c1-30-25(36)35(22-7-5-15(13-33-22)40(37,38)34-24-31-8-3-9-32-24)20-12-19(27)16(11-21(20)39-2)14-4-6-18(26)17(10-14)23(28)29/h3-13,23H,1-2H3,(H,30,36)(H,31,32,34) | PDB
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AMGEN INC.
US Patent
| Assay Description
HEK 293 cells stably transfected with human Nav1.7 were recorded in whole cell voltage clamp mode with the PatchXpress automated electrophysiology sy... |
US Patent US10668067 (2020)
BindingDB Entry DOI: 10.7270/Q2QC06K1 |
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
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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)) | BDBM444954
(6-((2,4'-difluoro-5-methoxy-3'-(trifluoromethoxy)-...)Show SMILES CNC(=O)N(c1ccc(cn1)S(=O)(=O)Nc1cccnn1)c1cc(F)c(cc1OC)-c1ccc(F)c(OC(F)(F)F)c1 Show InChI InChI=1S/C25H19F5N6O5S/c1-31-24(37)36(23-8-6-15(13-32-23)42(38,39)35-22-4-3-9-33-34-22)19-12-18(27)16(11-21(19)40-2)14-5-7-17(26)20(10-14)41-25(28,29)30/h3-13H,1-2H3,(H,31,37)(H,34,35) | PDB
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AMGEN INC.
US Patent
| Assay Description
HEK 293 cells stably transfected with human Nav1.7 were recorded in whole cell voltage clamp mode with the PatchXpress automated electrophysiology sy... |
US Patent US10668067 (2020)
BindingDB Entry DOI: 10.7270/Q2QC06K1 |
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
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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)) | BDBM218010
(US9212182, 723)Show SMILES COc1cc(Cl)cc(c1)-c1cc(OC)cc(c1)-c1ccc(c(OC)c1)-n1c2ccc(cc2ccc1=O)S(=O)(=O)Nc1ccon1 |(-2.67,-16.94,;-1.33,-16.17,;-1.33,-14.63,;-2.67,-13.86,;-2.67,-12.32,;-4,-11.55,;-1.33,-11.55,;,-12.32,;,-13.86,;1.33,-11.55,;2.67,-12.32,;4,-11.55,;5.33,-12.32,;5.33,-13.86,;4,-10.01,;2.67,-9.24,;1.33,-10.01,;2.67,-7.7,;1.33,-6.93,;1.33,-5.39,;2.67,-4.62,;4,-5.39,;5.33,-4.62,;6.67,-5.39,;4,-6.93,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;2.67,,;1.33,-.77,;1.33,-2.31,;,-3.08,;8,,;8.77,-1.33,;7.23,1.33,;9.34,.77,;10.67,,;10.83,-1.53,;12.34,-1.85,;13.11,-.52,;12.08,.63,)| Show InChI InChI=1S/C33H26ClN3O7S/c1-41-26-14-22(12-23(15-26)24-13-25(34)19-27(16-24)42-2)20-4-7-30(31(18-20)43-3)37-29-8-6-28(17-21(29)5-9-33(37)38)45(39,40)36-32-10-11-44-35-32/h4-19H,1-3H3,(H,35,36) | PDB
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Amgen Inc.
US Patent
| Assay Description
HEK 293 cells stably transfected with human Nav1.7 were recorded in whole cell voltage clamp mode with the PatchXpress automated electrophysiology sy... |
US Patent US9212182 (2015)
BindingDB Entry DOI: 10.7270/Q2TT4PTW |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM218032
(US9212182, 742)Show SMILES COc1cc(c(F)cc1-n1c2ccc(cc2ccc1=O)S(=O)(=O)Nc1ccon1)-c1ccc(Cl)cc1C |(-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,;4,-10.01,;5.33,-9.24,)| Show InChI InChI=1S/C26H19ClFN3O5S/c1-15-11-17(27)4-6-19(15)20-13-24(35-2)23(14-21(20)28)31-22-7-5-18(12-16(22)3-8-26(31)32)37(33,34)30-25-9-10-36-29-25/h3-14H,1-2H3,(H,29,30) | PDB
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Amgen Inc.
US Patent
| Assay Description
HEK 293 cells stably transfected with human Nav1.7 were recorded in whole cell voltage clamp mode with the PatchXpress automated electrophysiology sy... |
US Patent US9212182 (2015)
BindingDB Entry DOI: 10.7270/Q2TT4PTW |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM218034
(US9212182, 744)Show SMILES COc1ccc(Cl)cc1-c1cc(OC)c(cc1F)-n1c2ccc(cc2ccc1=O)S(=O)(=O)Nc1ccon1 |(6.67,-10.01,;5.33,-9.24,;4,-10.01,;4,-11.55,;2.67,-12.32,;1.33,-11.55,;,-12.32,;1.33,-10.01,;2.67,-9.24,;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,;-5.25,3.22,;-4.77,4.68,;-3.23,4.68,;-2.76,3.22,)| Show InChI InChI=1S/C26H19ClFN3O6S/c1-35-23-7-4-16(27)12-19(23)18-13-24(36-2)22(14-20(18)28)31-21-6-5-17(11-15(21)3-8-26(31)32)38(33,34)30-25-9-10-37-29-25/h3-14H,1-2H3,(H,29,30) | PDB
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Amgen Inc.
US Patent
| Assay Description
HEK 293 cells stably transfected with human Nav1.7 were recorded in whole cell voltage clamp mode with the PatchXpress automated electrophysiology sy... |
US Patent US9212182 (2015)
BindingDB Entry DOI: 10.7270/Q2TT4PTW |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM217892
(US9212182, 633)Show SMILES COc1cc(c(F)cc1-n1c2ccc(cc2ccc1=O)S(=O)(=O)Nc1ccon1)-c1ccc(cc1)-c1ccc(Cl)cc1 |(6.67,-5.39,;5.33,-4.62,;4,-5.39,;4,-6.93,;2.67,-7.7,;1.33,-6.93,;,-7.7,;1.33,-5.39,;2.67,-4.62,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;2.67,,;1.33,-.77,;1.33,-2.31,;,-3.08,;8,,;8.77,-1.33,;7.23,1.33,;9.34,.77,;10.67,,;10.83,-1.53,;12.34,-1.85,;13.11,-.52,;12.08,.63,;2.67,-9.24,;1.33,-10.01,;1.33,-11.55,;2.67,-12.32,;4,-11.55,;4,-10.01,;2.67,-13.86,;1.33,-14.63,;1.33,-16.17,;2.67,-16.94,;2.67,-18.48,;4,-16.17,;4,-14.63,)| Show InChI InChI=1S/C31H21ClFN3O5S/c1-40-29-17-25(21-4-2-19(3-5-21)20-6-9-23(32)10-7-20)26(33)18-28(29)36-27-12-11-24(16-22(27)8-13-31(36)37)42(38,39)35-30-14-15-41-34-30/h2-18H,1H3,(H,34,35) | PDB
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Amgen Inc.
US Patent
| Assay Description
HEK 293 cells stably transfected with human Nav1.7 were recorded in whole cell voltage clamp mode with the PatchXpress automated electrophysiology sy... |
US Patent US9212182 (2015)
BindingDB Entry DOI: 10.7270/Q2TT4PTW |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM217569
(US9212182, 528 | US9212182, 529)Show SMILES COc1cc(c(F)cc1-n1c2ccc(cc2ccc1=O)S(=O)(=O)Nc1ccon1)-c1ccc(C)c(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,;2.67,-13.86,;4,-11.55,;5.33,-12.32,;4,-10.01,)| Show InChI InChI=1S/C26H19ClFN3O5S/c1-15-3-4-16(12-20(15)27)19-13-24(35-2)23(14-21(19)28)31-22-7-6-18(11-17(22)5-8-26(31)32)37(33,34)30-25-9-10-36-29-25/h3-14H,1-2H3,(H,29,30) | PDB
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Amgen Inc.
US Patent
| Assay Description
HEK 293 cells stably transfected with human Nav1.7 were recorded in whole cell voltage clamp mode with the PatchXpress automated electrophysiology sy... |
US Patent US9212182 (2015)
BindingDB Entry DOI: 10.7270/Q2TT4PTW |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM217449
(US9212182, 542)Show SMILES COc1cc(c(F)cc1-n1c2ccc(cc2ccc1=O)S(=O)(=O)Nc1cccnn1)-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,;-5.33,3.08,;-5.33,4.62,;-4,5.39,;-2.67,4.62,;-2.67,3.08,;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/c1-37-24-13-20(16-9-17(27)12-18(28)10-16)21(29)14-23(24)33-22-6-5-19(11-15(22)4-7-26(33)34)38(35,36)32-25-3-2-8-30-31-25/h2-14H,1H3,(H,31,32) | PDB
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Amgen Inc.
US Patent
| Assay Description
HEK 293 cells stably transfected with human Nav1.7 were recorded in whole cell voltage clamp mode with the PatchXpress automated electrophysiology sy... |
US Patent US9212182 (2015)
BindingDB Entry DOI: 10.7270/Q2TT4PTW |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 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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MCE
PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
US Patent
| Assay Description
HEK 293 cells stably transfected with human Nav1.7 were recorded in whole cell voltage clamp mode with the PatchXpress automated electrophysiology sy... |
US Patent US9212182 (2015)
BindingDB Entry DOI: 10.7270/Q2TT4PTW |
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
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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)) | BDBM217544
(US9212182, 508 | US9212182, 509)Show SMILES COc1cc(c(F)cc1-n1c2ccc(cc2ccc1=O)S(=O)(=O)Nc1ccon1)-c1ccc(Cl)c(c1)C#N |(-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,;4,-10.01,;5.33,-12.32,;6.67,-13.09,)| Show InChI InChI=1S/C26H16ClFN4O5S/c1-36-24-12-19(15-2-5-20(27)17(10-15)14-29)21(28)13-23(24)32-22-6-4-18(11-16(22)3-7-26(32)33)38(34,35)31-25-8-9-37-30-25/h2-13H,1H3,(H,30,31) | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128892
BindingDB Entry DOI: 10.7270/Q29027RX |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM444965
(6-((1-(2-chloro-5-methoxy-3'-(trifluoromethyl)-[1,...)Show SMILES COc1cc(c(Cl)cc1N(C(N)=O)c1ccc(cn1)S(=O)(=O)Nc1ccon1)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C23H17ClF3N5O5S/c1-36-19-10-16(13-3-2-4-14(9-13)23(25,26)27)17(24)11-18(19)32(22(28)33)21-6-5-15(12-29-21)38(34,35)31-20-7-8-37-30-20/h2-12H,1H3,(H2,28,33)(H,30,31) | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128892
BindingDB Entry DOI: 10.7270/Q29027RX |
More data for this
Ligand-Target Pair | |
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