Found 24 hits of ic50 for monomerid = 145227 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)) | BDBM145227
(US8952169, 6 | US9771376, Example 6)Show SMILES CS(=O)(=O)NC(=O)c1cc(Cl)c(OCC23CC4CC(CC(C4)C2)C3)cc1F |TLB:13:14:17:21.20.19,23:14:21:17.18.19,THB:23:18:21:14.22.15,22:14:17:21.20.19,22:20:17:14.23.15| Show InChI InChI=1S/C19H23ClFNO4S/c1-27(24,25)22-18(23)14-5-15(20)17(6-16(14)21)26-10-19-7-11-2-12(8-19)4-13(3-11)9-19/h5-6,11-13H,2-4,7-10H2,1H3,(H,22,23) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of Nav1.7 (unknown origin) by PatchXpress method |
Bioorg Med Chem Lett 24: 3690-9 (2014)
Article DOI: 10.1016/j.bmcl.2014.06.038 BindingDB Entry DOI: 10.7270/Q2KS6VJM |
More data for this Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM145227
(US8952169, 6 | US9771376, Example 6)Show SMILES CS(=O)(=O)NC(=O)c1cc(Cl)c(OCC23CC4CC(CC(C4)C2)C3)cc1F |TLB:13:14:17:21.20.19,23:14:21:17.18.19,THB:23:18:21:14.22.15,22:14:17:21.20.19,22:20:17:14.23.15| Show InChI InChI=1S/C19H23ClFNO4S/c1-27(24,25)22-18(23)14-5-15(20)17(6-16(14)21)26-10-19-7-11-2-12(8-19)4-13(3-11)9-19/h5-6,11-13H,2-4,7-10H2,1H3,(H,22,23) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Inhibition of inactivated state of recombinant wild type human NaV1.7 expressed in HEK293 cell membranes coexpressing Nav beta1 subunit assessed as d... |
J Med Chem 61: 4810-4831 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01826 BindingDB Entry DOI: 10.7270/Q2BV7K92 |
More data for this Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM145227
(US8952169, 6 | US9771376, Example 6)Show SMILES CS(=O)(=O)NC(=O)c1cc(Cl)c(OCC23CC4CC(CC(C4)C2)C3)cc1F |TLB:13:14:17:21.20.19,23:14:21:17.18.19,THB:23:18:21:14.22.15,22:14:17:21.20.19,22:20:17:14.23.15| Show InChI InChI=1S/C19H23ClFNO4S/c1-27(24,25)22-18(23)14-5-15(20)17(6-16(14)21)26-10-19-7-11-2-12(8-19)4-13(3-11)9-19/h5-6,11-13H,2-4,7-10H2,1H3,(H,22,23) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | 5.5 | n/a | n/a | n/a | n/a | n/a | 37 |
Xenon Pharmaceuticals Inc.; Genentech, Inc.
US Patent
| Assay Description Patch voltage clamp electrophysiology allows for the direct measurement and quantification of block of voltage-gated sodium channels (NaV's), and all... |
US Patent US8952169 (2015)
BindingDB Entry DOI: 10.7270/Q2M04445 |
More data for this Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM145227
(US8952169, 6 | US9771376, Example 6)Show SMILES CS(=O)(=O)NC(=O)c1cc(Cl)c(OCC23CC4CC(CC(C4)C2)C3)cc1F |TLB:13:14:17:21.20.19,23:14:21:17.18.19,THB:23:18:21:14.22.15,22:14:17:21.20.19,22:20:17:14.23.15| Show InChI InChI=1S/C19H23ClFNO4S/c1-27(24,25)22-18(23)14-5-15(20)17(6-16(14)21)26-10-19-7-11-2-12(8-19)4-13(3-11)9-19/h5-6,11-13H,2-4,7-10H2,1H3,(H,22,23) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | 5.5 | n/a | n/a | n/a | n/a | n/a | n/a |
GENENTECH, INC.; XENON PHARMACEUTICALS INC.
US Patent
| Assay Description The following patch voltage clamp electrophysiology studies were performed on representative compounds of the invention using human embryonic kidney ... |
US Patent US9771376 (2017)
BindingDB Entry DOI: 10.7270/Q2W0983R |
More data for this Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM145227
(US8952169, 6 | US9771376, Example 6)Show SMILES CS(=O)(=O)NC(=O)c1cc(Cl)c(OCC23CC4CC(CC(C4)C2)C3)cc1F |TLB:13:14:17:21.20.19,23:14:21:17.18.19,THB:23:18:21:14.22.15,22:14:17:21.20.19,22:20:17:14.23.15| Show InChI InChI=1S/C19H23ClFNO4S/c1-27(24,25)22-18(23)14-5-15(20)17(6-16(14)21)26-10-19-7-11-2-12(8-19)4-13(3-11)9-19/h5-6,11-13H,2-4,7-10H2,1H3,(H,22,23) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| | n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM145227
(US8952169, 6 | US9771376, Example 6)Show SMILES CS(=O)(=O)NC(=O)c1cc(Cl)c(OCC23CC4CC(CC(C4)C2)C3)cc1F |TLB:13:14:17:21.20.19,23:14:21:17.18.19,THB:23:18:21:14.22.15,22:14:17:21.20.19,22:20:17:14.23.15| Show InChI InChI=1S/C19H23ClFNO4S/c1-27(24,25)22-18(23)14-5-15(20)17(6-16(14)21)26-10-19-7-11-2-12(8-19)4-13(3-11)9-19/h5-6,11-13H,2-4,7-10H2,1H3,(H,22,23) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Inhibition of full length human NaV1.7 expressed in HEK293 cells coexpressing Nav beta1 subunit assessed as decrease in sodium current amplitude by P... |
J Med Chem 61: 4810-4831 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01826 BindingDB Entry DOI: 10.7270/Q2BV7K92 |
More data for this Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM145227
(US8952169, 6 | US9771376, Example 6)Show SMILES CS(=O)(=O)NC(=O)c1cc(Cl)c(OCC23CC4CC(CC(C4)C2)C3)cc1F |TLB:13:14:17:21.20.19,23:14:21:17.18.19,THB:23:18:21:14.22.15,22:14:17:21.20.19,22:20:17:14.23.15| Show InChI InChI=1S/C19H23ClFNO4S/c1-27(24,25)22-18(23)14-5-15(20)17(6-16(14)21)26-10-19-7-11-2-12(8-19)4-13(3-11)9-19/h5-6,11-13H,2-4,7-10H2,1H3,(H,22,23) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | 7.4 | 25 |
Xenon Pharmaceuticals Inc.; Genentech, Inc.
US Patent
| Assay Description Radioligand Binding Studies: Saturation experiments. A representative compound of formula (I) was tritiated. Three tritiums were incorporated in plac... |
US Patent US8952169 (2015)
BindingDB Entry DOI: 10.7270/Q2M04445 |
More data for this Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM145227
(US8952169, 6 | US9771376, Example 6)Show SMILES CS(=O)(=O)NC(=O)c1cc(Cl)c(OCC23CC4CC(CC(C4)C2)C3)cc1F |TLB:13:14:17:21.20.19,23:14:21:17.18.19,THB:23:18:21:14.22.15,22:14:17:21.20.19,22:20:17:14.23.15| Show InChI InChI=1S/C19H23ClFNO4S/c1-27(24,25)22-18(23)14-5-15(20)17(6-16(14)21)26-10-19-7-11-2-12(8-19)4-13(3-11)9-19/h5-6,11-13H,2-4,7-10H2,1H3,(H,22,23) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Inhibition of inactivated state of recombinant human NaV1.7 Y1537A mutant expressed in HEK293 cell membranes coexpressing Nav beta1 subunit assessed ... |
J Med Chem 61: 4810-4831 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01826 BindingDB Entry DOI: 10.7270/Q2BV7K92 |
More data for this Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM145227
(US8952169, 6 | US9771376, Example 6)Show SMILES CS(=O)(=O)NC(=O)c1cc(Cl)c(OCC23CC4CC(CC(C4)C2)C3)cc1F |TLB:13:14:17:21.20.19,23:14:21:17.18.19,THB:23:18:21:14.22.15,22:14:17:21.20.19,22:20:17:14.23.15| Show InChI InChI=1S/C19H23ClFNO4S/c1-27(24,25)22-18(23)14-5-15(20)17(6-16(14)21)26-10-19-7-11-2-12(8-19)4-13(3-11)9-19/h5-6,11-13H,2-4,7-10H2,1H3,(H,22,23) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| | n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM145227
(US8952169, 6 | US9771376, Example 6)Show SMILES CS(=O)(=O)NC(=O)c1cc(Cl)c(OCC23CC4CC(CC(C4)C2)C3)cc1F |TLB:13:14:17:21.20.19,23:14:21:17.18.19,THB:23:18:21:14.22.15,22:14:17:21.20.19,22:20:17:14.23.15| Show InChI InChI=1S/C19H23ClFNO4S/c1-27(24,25)22-18(23)14-5-15(20)17(6-16(14)21)26-10-19-7-11-2-12(8-19)4-13(3-11)9-19/h5-6,11-13H,2-4,7-10H2,1H3,(H,22,23) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]GX-545 from recombinant human NaV1.7 expressed in HEK293 cell membranes coexpressing Nav beta1 subunit after 18 hrs by liquid sci... |
J Med Chem 61: 4810-4831 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01826 BindingDB Entry DOI: 10.7270/Q2BV7K92 |
More data for this Ligand-Target Pair | |
Sodium channel protein type 5 subunit alpha
(Homo sapiens (Human)) | BDBM145227
(US8952169, 6 | US9771376, Example 6)Show SMILES CS(=O)(=O)NC(=O)c1cc(Cl)c(OCC23CC4CC(CC(C4)C2)C3)cc1F |TLB:13:14:17:21.20.19,23:14:21:17.18.19,THB:23:18:21:14.22.15,22:14:17:21.20.19,22:20:17:14.23.15| Show InChI InChI=1S/C19H23ClFNO4S/c1-27(24,25)22-18(23)14-5-15(20)17(6-16(14)21)26-10-19-7-11-2-12(8-19)4-13(3-11)9-19/h5-6,11-13H,2-4,7-10H2,1H3,(H,22,23) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.07E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of Nav1.5 (unknown origin) by PatchXpress method |
Bioorg Med Chem Lett 24: 3690-9 (2014)
Article DOI: 10.1016/j.bmcl.2014.06.038 BindingDB Entry DOI: 10.7270/Q2KS6VJM |
More data for this Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM145227
(US8952169, 6 | US9771376, Example 6)Show SMILES CS(=O)(=O)NC(=O)c1cc(Cl)c(OCC23CC4CC(CC(C4)C2)C3)cc1F |TLB:13:14:17:21.20.19,23:14:21:17.18.19,THB:23:18:21:14.22.15,22:14:17:21.20.19,22:20:17:14.23.15| Show InChI InChI=1S/C19H23ClFNO4S/c1-27(24,25)22-18(23)14-5-15(20)17(6-16(14)21)26-10-19-7-11-2-12(8-19)4-13(3-11)9-19/h5-6,11-13H,2-4,7-10H2,1H3,(H,22,23) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.37E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Inhibition of inactivated state of recombinant human NaV1.7 R1602A mutant expressed in HEK293 cell membranes coexpressing Nav beta1 subunit assessed ... |
J Med Chem 61: 4810-4831 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01826 BindingDB Entry DOI: 10.7270/Q2BV7K92 |
More data for this Ligand-Target Pair | |
Sodium channel protein type 5 subunit alpha
(Homo sapiens (Human)) | BDBM145227
(US8952169, 6 | US9771376, Example 6)Show SMILES CS(=O)(=O)NC(=O)c1cc(Cl)c(OCC23CC4CC(CC(C4)C2)C3)cc1F |TLB:13:14:17:21.20.19,23:14:21:17.18.19,THB:23:18:21:14.22.15,22:14:17:21.20.19,22:20:17:14.23.15| Show InChI InChI=1S/C19H23ClFNO4S/c1-27(24,25)22-18(23)14-5-15(20)17(6-16(14)21)26-10-19-7-11-2-12(8-19)4-13(3-11)9-19/h5-6,11-13H,2-4,7-10H2,1H3,(H,22,23) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Inhibition of full length human NaV1.5 expressed in HEK293 cells coexpressing Nav beta1 subunit assessed as decrease in sodium current amplitude by P... |
J Med Chem 61: 4810-4831 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01826 BindingDB Entry DOI: 10.7270/Q2BV7K92 |
More data for this Ligand-Target Pair | |
Sodium channel protein type 5 subunit alpha
(Homo sapiens (Human)) | BDBM145227
(US8952169, 6 | US9771376, Example 6)Show SMILES CS(=O)(=O)NC(=O)c1cc(Cl)c(OCC23CC4CC(CC(C4)C2)C3)cc1F |TLB:13:14:17:21.20.19,23:14:21:17.18.19,THB:23:18:21:14.22.15,22:14:17:21.20.19,22:20:17:14.23.15| Show InChI InChI=1S/C19H23ClFNO4S/c1-27(24,25)22-18(23)14-5-15(20)17(6-16(14)21)26-10-19-7-11-2-12(8-19)4-13(3-11)9-19/h5-6,11-13H,2-4,7-10H2,1H3,(H,22,23) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | 37 |
Xenon Pharmaceuticals Inc.; Genentech, Inc.
US Patent
| Assay Description Patch voltage clamp electrophysiology allows for the direct measurement and quantification of block of voltage-gated sodium channels (NaV's), and all... |
US Patent US8952169 (2015)
BindingDB Entry DOI: 10.7270/Q2M04445 |
More data for this Ligand-Target Pair | |
Sodium channel protein type 5 subunit alpha
(Homo sapiens (Human)) | BDBM145227
(US8952169, 6 | US9771376, Example 6)Show SMILES CS(=O)(=O)NC(=O)c1cc(Cl)c(OCC23CC4CC(CC(C4)C2)C3)cc1F |TLB:13:14:17:21.20.19,23:14:21:17.18.19,THB:23:18:21:14.22.15,22:14:17:21.20.19,22:20:17:14.23.15| Show InChI InChI=1S/C19H23ClFNO4S/c1-27(24,25)22-18(23)14-5-15(20)17(6-16(14)21)26-10-19-7-11-2-12(8-19)4-13(3-11)9-19/h5-6,11-13H,2-4,7-10H2,1H3,(H,22,23) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| | n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Sodium channel protein type 5 subunit alpha
(Homo sapiens (Human)) | BDBM145227
(US8952169, 6 | US9771376, Example 6)Show SMILES CS(=O)(=O)NC(=O)c1cc(Cl)c(OCC23CC4CC(CC(C4)C2)C3)cc1F |TLB:13:14:17:21.20.19,23:14:21:17.18.19,THB:23:18:21:14.22.15,22:14:17:21.20.19,22:20:17:14.23.15| Show InChI InChI=1S/C19H23ClFNO4S/c1-27(24,25)22-18(23)14-5-15(20)17(6-16(14)21)26-10-19-7-11-2-12(8-19)4-13(3-11)9-19/h5-6,11-13H,2-4,7-10H2,1H3,(H,22,23) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | 1.91E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GENENTECH, INC.; XENON PHARMACEUTICALS INC.
US Patent
| Assay Description The following patch voltage clamp electrophysiology studies were performed on representative compounds of the invention using human embryonic kidney ... |
US Patent US9771376 (2017)
BindingDB Entry DOI: 10.7270/Q2W0983R |
More data for this Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM145227
(US8952169, 6 | US9771376, Example 6)Show SMILES CS(=O)(=O)NC(=O)c1cc(Cl)c(OCC23CC4CC(CC(C4)C2)C3)cc1F |TLB:13:14:17:21.20.19,23:14:21:17.18.19,THB:23:18:21:14.22.15,22:14:17:21.20.19,22:20:17:14.23.15| Show InChI InChI=1S/C19H23ClFNO4S/c1-27(24,25)22-18(23)14-5-15(20)17(6-16(14)21)26-10-19-7-11-2-12(8-19)4-13(3-11)9-19/h5-6,11-13H,2-4,7-10H2,1H3,(H,22,23) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 8.87E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Inhibition of inactivated state of recombinant human NaV1.7 R1605A mutant expressed in HEK293 cell membranes coexpressing Nav beta1 subunit assessed ... |
J Med Chem 61: 4810-4831 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01826 BindingDB Entry DOI: 10.7270/Q2BV7K92 |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM145227
(US8952169, 6 | US9771376, Example 6)Show SMILES CS(=O)(=O)NC(=O)c1cc(Cl)c(OCC23CC4CC(CC(C4)C2)C3)cc1F |TLB:13:14:17:21.20.19,23:14:21:17.18.19,THB:23:18:21:14.22.15,22:14:17:21.20.19,22:20:17:14.23.15| Show InChI InChI=1S/C19H23ClFNO4S/c1-27(24,25)22-18(23)14-5-15(20)17(6-16(14)21)26-10-19-7-11-2-12(8-19)4-13(3-11)9-19/h5-6,11-13H,2-4,7-10H2,1H3,(H,22,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM145227
(US8952169, 6 | US9771376, Example 6)Show SMILES CS(=O)(=O)NC(=O)c1cc(Cl)c(OCC23CC4CC(CC(C4)C2)C3)cc1F |TLB:13:14:17:21.20.19,23:14:21:17.18.19,THB:23:18:21:14.22.15,22:14:17:21.20.19,22:20:17:14.23.15| Show InChI InChI=1S/C19H23ClFNO4S/c1-27(24,25)22-18(23)14-5-15(20)17(6-16(14)21)26-10-19-7-11-2-12(8-19)4-13(3-11)9-19/h5-6,11-13H,2-4,7-10H2,1H3,(H,22,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM145227
(US8952169, 6 | US9771376, Example 6)Show SMILES CS(=O)(=O)NC(=O)c1cc(Cl)c(OCC23CC4CC(CC(C4)C2)C3)cc1F |TLB:13:14:17:21.20.19,23:14:21:17.18.19,THB:23:18:21:14.22.15,22:14:17:21.20.19,22:20:17:14.23.15| Show InChI InChI=1S/C19H23ClFNO4S/c1-27(24,25)22-18(23)14-5-15(20)17(6-16(14)21)26-10-19-7-11-2-12(8-19)4-13(3-11)9-19/h5-6,11-13H,2-4,7-10H2,1H3,(H,22,23) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM145227
(US8952169, 6 | US9771376, Example 6)Show SMILES CS(=O)(=O)NC(=O)c1cc(Cl)c(OCC23CC4CC(CC(C4)C2)C3)cc1F |TLB:13:14:17:21.20.19,23:14:21:17.18.19,THB:23:18:21:14.22.15,22:14:17:21.20.19,22:20:17:14.23.15| Show InChI InChI=1S/C19H23ClFNO4S/c1-27(24,25)22-18(23)14-5-15(20)17(6-16(14)21)26-10-19-7-11-2-12(8-19)4-13(3-11)9-19/h5-6,11-13H,2-4,7-10H2,1H3,(H,22,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM145227
(US8952169, 6 | US9771376, Example 6)Show SMILES CS(=O)(=O)NC(=O)c1cc(Cl)c(OCC23CC4CC(CC(C4)C2)C3)cc1F |TLB:13:14:17:21.20.19,23:14:21:17.18.19,THB:23:18:21:14.22.15,22:14:17:21.20.19,22:20:17:14.23.15| Show InChI InChI=1S/C19H23ClFNO4S/c1-27(24,25)22-18(23)14-5-15(20)17(6-16(14)21)26-10-19-7-11-2-12(8-19)4-13(3-11)9-19/h5-6,11-13H,2-4,7-10H2,1H3,(H,22,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM145227
(US8952169, 6 | US9771376, Example 6)Show SMILES CS(=O)(=O)NC(=O)c1cc(Cl)c(OCC23CC4CC(CC(C4)C2)C3)cc1F |TLB:13:14:17:21.20.19,23:14:21:17.18.19,THB:23:18:21:14.22.15,22:14:17:21.20.19,22:20:17:14.23.15| Show InChI InChI=1S/C19H23ClFNO4S/c1-27(24,25)22-18(23)14-5-15(20)17(6-16(14)21)26-10-19-7-11-2-12(8-19)4-13(3-11)9-19/h5-6,11-13H,2-4,7-10H2,1H3,(H,22,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM145227
(US8952169, 6 | US9771376, Example 6)Show SMILES CS(=O)(=O)NC(=O)c1cc(Cl)c(OCC23CC4CC(CC(C4)C2)C3)cc1F |TLB:13:14:17:21.20.19,23:14:21:17.18.19,THB:23:18:21:14.22.15,22:14:17:21.20.19,22:20:17:14.23.15| Show InChI InChI=1S/C19H23ClFNO4S/c1-27(24,25)22-18(23)14-5-15(20)17(6-16(14)21)26-10-19-7-11-2-12(8-19)4-13(3-11)9-19/h5-6,11-13H,2-4,7-10H2,1H3,(H,22,23) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.74E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Inhibition of inactivated state of recombinant human NaV1.7 R1608A mutant expressed in HEK293 cell membranes coexpressing Nav beta1 subunit assessed ... |
J Med Chem 61: 4810-4831 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01826 BindingDB Entry DOI: 10.7270/Q2BV7K92 |
More data for this Ligand-Target Pair | |