Found 491 hits with Last Name = 'khakh' and Initial = 'k' 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)) | BDBM50521576
(CHEMBL4462278)Show SMILES Fc1cc2[C@H](CCOc2cc1S(=O)(=O)Nc1ccncn1)N1CC[C@@H](C[C@@H]1c1cc[nH]n1)C(F)(F)F |r| Show InChI InChI=1S/C22H22F4N6O3S/c23-15-10-14-17(32-7-3-13(22(24,25)26)9-18(32)16-1-6-29-30-16)4-8-35-19(14)11-20(15)36(33,34)31-21-2-5-27-12-28-21/h1-2,5-6,10-13,17-18H,3-4,7-9H2,(H,29,30)(H,27,28,31)/t13-,17-,18+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.320 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Displacement of [3H]GX-545 from full length human Nav1.7 VSD4 domain expressed in HEK cell membranes measured after 20 hrs by liquid scintillation co... |
J Med Chem 62: 4091-4109 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00141
BindingDB Entry DOI: 10.7270/Q2B85CJ3 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50521582
(CHEMBL4543884)Show SMILES Fc1cc2[C@H](CCOc2cc1S(=O)(=O)Nc1ccncn1)N1CC[C@@H](C[C@@H]1c1cn[nH]c1)C(F)(F)F |r| Show InChI InChI=1S/C22H22F4N6O3S/c23-16-8-15-17(32-5-2-14(22(24,25)26)7-18(32)13-10-29-30-11-13)3-6-35-19(15)9-20(16)36(33,34)31-21-1-4-27-12-28-21/h1,4,8-12,14,17-18H,2-3,5-7H2,(H,29,30)(H,27,28,31)/t14-,17-,18+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.510 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Displacement of [3H]GX-545 from full length human Nav1.7 VSD4 domain expressed in HEK cell membranes measured after 20 hrs by liquid scintillation co... |
J Med Chem 62: 4091-4109 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00141
BindingDB Entry DOI: 10.7270/Q2B85CJ3 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50466967
(CHEMBL4282994)Show SMILES Fc1ccc(cc1)[C@H]1C[C@H](CCN1[C@H]1CCOc2cc(c(F)cc12)S(=O)(=O)Nc1ccncn1)C(F)(F)F |r| Show InChI InChI=1S/C25H23F5N4O3S/c26-17-3-1-15(2-4-17)21-11-16(25(28,29)30)6-9-34(21)20-7-10-37-22-13-23(19(27)12-18(20)22)38(35,36)33-24-5-8-31-14-32-24/h1-5,8,12-14,16,20-21H,6-7,9-11H2,(H,31,32,33)/t16-,20-,21+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.530 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Displacement of [3H]GX-545 from full length human Nav1.7 VSD4 domain expressed in HEK cell membranes measured after 20 hrs by liquid scintillation co... |
J Med Chem 62: 4091-4109 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00141
BindingDB Entry DOI: 10.7270/Q2B85CJ3 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50521579
(CHEMBL4543422)Show SMILES Fc1cc2[C@H](CCOc2cc1S(=O)(=O)Nc1ccncn1)N1CC[C@@H](C[C@@H]1c1cccnc1)C(F)(F)F |r| Show InChI InChI=1S/C24H23F4N5O3S/c25-18-11-17-19(33-8-4-16(24(26,27)28)10-20(33)15-2-1-6-29-13-15)5-9-36-21(17)12-22(18)37(34,35)32-23-3-7-30-14-31-23/h1-3,6-7,11-14,16,19-20H,4-5,8-10H2,(H,30,31,32)/t16-,19-,20+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.680 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Displacement of [3H]GX-545 from full length human Nav1.7 VSD4 domain expressed in HEK cell membranes measured after 20 hrs by liquid scintillation co... |
J Med Chem 62: 4091-4109 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00141
BindingDB Entry DOI: 10.7270/Q2B85CJ3 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50521586
(CHEMBL4473871)Show SMILES Cn1ccc(n1)[C@H]1C[C@H](CCN1[C@H]1CCOc2cc(c(F)cc12)S(=O)(=O)Nc1ccncn1)C(F)(F)F |r| Show InChI InChI=1S/C23H24F4N6O3S/c1-32-7-4-17(30-32)19-10-14(23(25,26)27)3-8-33(19)18-5-9-36-20-12-21(16(24)11-15(18)20)37(34,35)31-22-2-6-28-13-29-22/h2,4,6-7,11-14,18-19H,3,5,8-10H2,1H3,(H,28,29,31)/t14-,18-,19+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.760 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Displacement of [3H]GX-545 from full length human Nav1.7 VSD4 domain expressed in HEK cell membranes measured after 20 hrs by liquid scintillation co... |
J Med Chem 62: 4091-4109 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00141
BindingDB Entry DOI: 10.7270/Q2B85CJ3 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50521571
(CHEMBL4464990)Show SMILES Fc1cc2[C@H](CCOc2cc1S(=O)(=O)Nc1ccncn1)N1CC[C@@H](C[C@@H]1c1ccccn1)C(F)(F)F |r| Show InChI InChI=1S/C24H23F4N5O3S/c25-17-12-16-19(33-9-5-15(24(26,27)28)11-20(33)18-3-1-2-7-30-18)6-10-36-21(16)13-22(17)37(34,35)32-23-4-8-29-14-31-23/h1-4,7-8,12-15,19-20H,5-6,9-11H2,(H,29,31,32)/t15-,19-,20+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| 0.790 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Displacement of [3H]GX-545 from full length human Nav1.7 VSD4 domain expressed in HEK cell membranes measured after 20 hrs by liquid scintillation co... |
J Med Chem 62: 4091-4109 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00141
BindingDB Entry DOI: 10.7270/Q2B85CJ3 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50521573
(CHEMBL4519170)Show SMILES Fc1ccc(cc1)[C@H]1C[C@H](CCN1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ncns1)C(F)(F)F |r| Show InChI InChI=1S/C23H22F4N4O3S2/c24-16-3-1-14(2-4-16)20-11-15(23(25,26)27)7-9-31(20)19-8-10-34-21-12-17(5-6-18(19)21)36(32,33)30-22-28-13-29-35-22/h1-6,12-13,15,19-20H,7-11H2,(H,28,29,30)/t15-,19-,20+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.850 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Displacement of [3H]GX-545 from full length human Nav1.7 VSD4 domain expressed in HEK cell membranes measured after 20 hrs by liquid scintillation co... |
J Med Chem 62: 4091-4109 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00141
BindingDB Entry DOI: 10.7270/Q2B85CJ3 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50521569
(CHEMBL4446868)Show SMILES Cn1nccc1[C@H]1C[C@H](CCN1[C@H]1CCOc2cc(c(F)cc12)S(=O)(=O)Nc1ccncn1)C(F)(F)F |r| Show InChI InChI=1S/C23H24F4N6O3S/c1-32-18(2-7-30-32)19-10-14(23(25,26)27)4-8-33(19)17-5-9-36-20-12-21(16(24)11-15(17)20)37(34,35)31-22-3-6-28-13-29-22/h2-3,6-7,11-14,17,19H,4-5,8-10H2,1H3,(H,28,29,31)/t14-,17-,19+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.930 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Displacement of [3H]GX-545 from full length human Nav1.7 VSD4 domain expressed in HEK cell membranes measured after 20 hrs by liquid scintillation co... |
J Med Chem 62: 4091-4109 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00141
BindingDB Entry DOI: 10.7270/Q2B85CJ3 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50521568
(CHEMBL4444408)Show SMILES FC(F)(F)[C@H]1CCN([C@H]2CCOc3cc(ccc23)S(=O)(=O)Nc2ncns2)[C@H](C1)c1ccccc1 |r| Show InChI InChI=1S/C23H23F3N4O3S2/c24-23(25,26)16-8-10-30(20(12-16)15-4-2-1-3-5-15)19-9-11-33-21-13-17(6-7-18(19)21)35(31,32)29-22-27-14-28-34-22/h1-7,13-14,16,19-20H,8-12H2,(H,27,28,29)/t16-,19-,20+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.970 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Displacement of [3H]GX-545 from full length human Nav1.7 VSD4 domain expressed in HEK cell membranes measured after 20 hrs by liquid scintillation co... |
J Med Chem 62: 4091-4109 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00141
BindingDB Entry DOI: 10.7270/Q2B85CJ3 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50521577
(CHEMBL4530176)Show SMILES Fc1cc2[C@H](CCOc2cc1S(=O)(=O)Nc1ccncn1)N1CC[C@@H](C[C@@H]1c1cnco1)C(F)(F)F |r| Show InChI InChI=1S/C22H21F4N5O4S/c23-15-8-14-16(31-5-2-13(22(24,25)26)7-17(31)19-10-28-12-35-19)3-6-34-18(14)9-20(15)36(32,33)30-21-1-4-27-11-29-21/h1,4,8-13,16-17H,2-3,5-7H2,(H,27,29,30)/t13-,16-,17+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Displacement of [3H]GX-545 from full length human Nav1.7 VSD4 domain expressed in HEK cell membranes measured after 20 hrs by liquid scintillation co... |
J Med Chem 62: 4091-4109 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00141
BindingDB Entry DOI: 10.7270/Q2B85CJ3 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50521585
(CHEMBL4557850)Show SMILES Fc1ccc(cc1)[C@H]1C[C@H](CCN1[C@H]1CCOc2cc(c(F)cc12)S(=O)(=O)Nc1ccon1)C(F)(F)F |r| Show InChI InChI=1S/C24H22F5N3O4S/c25-16-3-1-14(2-4-16)20-11-15(24(27,28)29)5-8-32(20)19-6-9-35-21-13-22(18(26)12-17(19)21)37(33,34)31-23-7-10-36-30-23/h1-4,7,10,12-13,15,19-20H,5-6,8-9,11H2,(H,30,31)/t15-,19-,20+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Displacement of [3H]GX-545 from full length human Nav1.7 VSD4 domain expressed in HEK cell membranes measured after 20 hrs by liquid scintillation co... |
J Med Chem 62: 4091-4109 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00141
BindingDB Entry DOI: 10.7270/Q2B85CJ3 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50521580
(CHEMBL4474681)Show SMILES Fc1cc2[C@H](CCOc2cc1S(=O)(=O)Nc1ccncn1)N1CC[C@@H](C[C@@H]1c1ccncn1)C(F)(F)F |r| Show InChI InChI=1S/C23H22F4N6O3S/c24-16-10-15-18(33-7-3-14(23(25,26)27)9-19(33)17-1-5-28-12-30-17)4-8-36-20(15)11-21(16)37(34,35)32-22-2-6-29-13-31-22/h1-2,5-6,10-14,18-19H,3-4,7-9H2,(H,29,31,32)/t14-,18-,19+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Displacement of [3H]GX-545 from full length human Nav1.7 VSD4 domain expressed in HEK cell membranes measured after 20 hrs by liquid scintillation co... |
J Med Chem 62: 4091-4109 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00141
BindingDB Entry DOI: 10.7270/Q2B85CJ3 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50521578
(CHEMBL4444085)Show SMILES Fc1cc2[C@H](CCOc2cc1S(=O)(=O)Nc1ccncn1)N1CC[C@@H](C[C@@H]1c1ccncc1)C(F)(F)F |r| Show InChI InChI=1S/C24H23F4N5O3S/c25-18-12-17-19(33-9-4-16(24(26,27)28)11-20(33)15-1-6-29-7-2-15)5-10-36-21(17)13-22(18)37(34,35)32-23-3-8-30-14-31-23/h1-3,6-8,12-14,16,19-20H,4-5,9-11H2,(H,30,31,32)/t16-,19-,20+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Displacement of [3H]GX-545 from full length human Nav1.7 VSD4 domain expressed in HEK cell membranes measured after 20 hrs by liquid scintillation co... |
J Med Chem 62: 4091-4109 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00141
BindingDB Entry DOI: 10.7270/Q2B85CJ3 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50521587
(CHEMBL4569507)Show SMILES Fc1cc2[C@H](CCOc2cc1S(=O)(=O)Nc1ccncn1)N1CC[C@@H](C[C@@H]1c1ccnnc1)C(F)(F)F |r| Show InChI InChI=1S/C23H22F4N6O3S/c24-17-10-16-18(33-7-3-15(23(25,26)27)9-19(33)14-1-6-30-31-12-14)4-8-36-20(16)11-21(17)37(34,35)32-22-2-5-28-13-29-22/h1-2,5-6,10-13,15,18-19H,3-4,7-9H2,(H,28,29,32)/t15-,18-,19+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Displacement of [3H]GX-545 from full length human Nav1.7 VSD4 domain expressed in HEK cell membranes measured after 20 hrs by liquid scintillation co... |
J Med Chem 62: 4091-4109 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00141
BindingDB Entry DOI: 10.7270/Q2B85CJ3 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50521575
(CHEMBL4450910)Show SMILES Fc1ccc(cc1)[C@H]1C[C@H](CCN1[C@H]1CCOc2cc(c(F)cc12)S(=O)(=O)Nc1cccnn1)C(F)(F)F |r| Show InChI InChI=1S/C25H23F5N4O3S/c26-17-5-3-15(4-6-17)21-12-16(25(28,29)30)7-10-34(21)20-8-11-37-22-14-23(19(27)13-18(20)22)38(35,36)33-24-2-1-9-31-32-24/h1-6,9,13-14,16,20-21H,7-8,10-12H2,(H,32,33)/t16-,20-,21+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Displacement of [3H]GX-545 from full length human Nav1.7 VSD4 domain expressed in HEK cell membranes measured after 20 hrs by liquid scintillation co... |
J Med Chem 62: 4091-4109 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00141
BindingDB Entry DOI: 10.7270/Q2B85CJ3 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50521574
(CHEMBL4455517)Show SMILES Fc1ccc(cc1)[C@H]1C[C@H](CCN1[C@H]1CCOc2cc(c(F)cc12)S(=O)(=O)Nc1ccc(F)cn1)C(F)(F)F |r| Show InChI InChI=1S/C26H23F6N3O3S/c27-17-3-1-15(2-4-17)22-11-16(26(30,31)32)7-9-35(22)21-8-10-38-23-13-24(20(29)12-19(21)23)39(36,37)34-25-6-5-18(28)14-33-25/h1-6,12-14,16,21-22H,7-11H2,(H,33,34)/t16-,21-,22+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Displacement of [3H]GX-545 from full length human Nav1.7 VSD4 domain expressed in HEK cell membranes measured after 20 hrs by liquid scintillation co... |
J Med Chem 62: 4091-4109 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00141
BindingDB Entry DOI: 10.7270/Q2B85CJ3 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50521581
(CHEMBL4462340)Show SMILES Fc1cc2[C@H](CCOc2cc1S(=O)(=O)Nc1ccncn1)N1CC[C@@H](C[C@@H]1c1cnccn1)C(F)(F)F |r| Show InChI InChI=1S/C23H22F4N6O3S/c24-16-10-15-18(33-7-2-14(23(25,26)27)9-19(33)17-12-28-5-6-30-17)3-8-36-20(15)11-21(16)37(34,35)32-22-1-4-29-13-31-22/h1,4-6,10-14,18-19H,2-3,7-9H2,(H,29,31,32)/t14-,18-,19+/m0/s1 | PDB
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Genentech
Curated by ChEMBL
| Assay Description
Displacement of [3H]GX-545 from full length human Nav1.7 VSD4 domain expressed in HEK cell membranes measured after 20 hrs by liquid scintillation co... |
J Med Chem 62: 4091-4109 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00141
BindingDB Entry DOI: 10.7270/Q2B85CJ3 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50521570
(CHEMBL4539134)Show SMILES Fc1cc(c(F)cc1CN1CC[C@@H](C[C@@H]1c1ccccc1)C(F)(F)F)S(=O)(=O)Nc1ncns1 |r| Show InChI InChI=1S/C21H19F5N4O2S2/c22-16-10-19(34(31,32)29-20-27-12-28-33-20)17(23)8-14(16)11-30-7-6-15(21(24,25)26)9-18(30)13-4-2-1-3-5-13/h1-5,8,10,12,15,18H,6-7,9,11H2,(H,27,28,29)/t15-,18+/m0/s1 | PDB
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Genentech
Curated by ChEMBL
| Assay Description
Displacement of [3H]GX-545 from full length human Nav1.7 VSD4 domain expressed in HEK cell membranes measured after 20 hrs by liquid scintillation co... |
J Med Chem 62: 4091-4109 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00141
BindingDB Entry DOI: 10.7270/Q2B85CJ3 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 5 subunit alpha
(Homo sapiens (Human)) | BDBM50568138
(CHEMBL4854735)Show SMILES Fc1cccc(NS(=O)(=O)c2cc(F)c(O[C@H]3CCN(CC(F)(F)F)C[C@@H]3c3ccc(F)c(F)c3)c(F)c2)n1 |r| | PDB
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| 370 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]BNZA from Nav1.5 (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128133
BindingDB Entry DOI: 10.7270/Q2CJ8J7B |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50521583
(CHEMBL4556147)Show SMILES Fc1cc(c(F)cc1CN1CCCC[C@@H]1c1ccccc1)S(=O)(=O)Nc1ncns1 |r| Show InChI InChI=1S/C20H20F2N4O2S2/c21-16-11-19(30(27,28)25-20-23-13-24-29-20)17(22)10-15(16)12-26-9-5-4-8-18(26)14-6-2-1-3-7-14/h1-3,6-7,10-11,13,18H,4-5,8-9,12H2,(H,23,24,25)/t18-/m1/s1 | PDB
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Genentech
Curated by ChEMBL
| Assay Description
Displacement of [3H]GX-545 from full length human Nav1.7 VSD4 domain expressed in HEK cell membranes measured after 20 hrs by liquid scintillation co... |
J Med Chem 62: 4091-4109 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00141
BindingDB Entry DOI: 10.7270/Q2B85CJ3 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50521572
(CHEMBL4585581)Show SMILES Fc1cc(c(F)cc1CN1CCCC[C@H]1c1ccccc1)S(=O)(=O)Nc1ncns1 |r| Show InChI InChI=1S/C20H20F2N4O2S2/c21-16-11-19(30(27,28)25-20-23-13-24-29-20)17(22)10-15(16)12-26-9-5-4-8-18(26)14-6-2-1-3-7-14/h1-3,6-7,10-11,13,18H,4-5,8-9,12H2,(H,23,24,25)/t18-/m0/s1 | PDB
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Genentech
Curated by ChEMBL
| Assay Description
Displacement of [3H]GX-545 from full length human Nav1.7 VSD4 domain expressed in HEK cell membranes measured after 20 hrs by liquid scintillation co... |
J Med Chem 62: 4091-4109 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00141
BindingDB Entry DOI: 10.7270/Q2B85CJ3 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50521584
(CHEMBL4452003)Show SMILES Fc1cc(c(F)cc1CN1CC[C@H](C[C@H]1c1ccccc1)C(F)(F)F)S(=O)(=O)Nc1ncns1 |r| Show InChI InChI=1S/C21H19F5N4O2S2/c22-16-10-19(34(31,32)29-20-27-12-28-33-20)17(23)8-14(16)11-30-7-6-15(21(24,25)26)9-18(30)13-4-2-1-3-5-13/h1-5,8,10,12,15,18H,6-7,9,11H2,(H,27,28,29)/t15-,18+/m1/s1 | PDB
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Genentech
Curated by ChEMBL
| Assay Description
Displacement of [3H]GX-545 from full length human Nav1.7 VSD4 domain expressed in HEK cell membranes measured after 20 hrs by liquid scintillation co... |
J Med Chem 62: 4091-4109 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00141
BindingDB Entry DOI: 10.7270/Q2B85CJ3 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 5 subunit alpha
(Homo sapiens (Human)) | BDBM50568135
(CHEMBL4849813)Show SMILES Fc1cccc(NS(=O)(=O)c2cc(F)c(OC3CCN(CC(F)(F)F)CC3c3ccc(F)c(F)c3)cc2F)n1 | PDB
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| 2.02E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]BNZA from Nav1.5 (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128133
BindingDB Entry DOI: 10.7270/Q2CJ8J7B |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 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
| |
Citation and Details
|
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 9 subunit alpha
(Homo sapiens (Human)) | BDBM50521568
(CHEMBL4444408)Show SMILES FC(F)(F)[C@H]1CCN([C@H]2CCOc3cc(ccc23)S(=O)(=O)Nc2ncns2)[C@H](C1)c1ccccc1 |r| Show InChI InChI=1S/C23H23F3N4O3S2/c24-23(25,26)16-8-10-30(20(12-16)15-4-2-1-3-5-15)19-9-11-33-21-13-17(6-7-18(19)21)35(31,32)29-22-27-14-28-34-22/h1-7,13-14,16,19-20H,8-12H2,(H,27,28,29)/t16-,19-,20+/m0/s1 | PDB
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| n/a | n/a | 0.570 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of full length human Nav1.7 expressed in HEK293 cells assessed as reduction of current amplitude at -60 mV holding potential measured afte... |
J Med Chem 62: 4091-4109 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00141
BindingDB Entry DOI: 10.7270/Q2B85CJ3 |
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 | 0.600 | 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 9 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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TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM47139
(US8952169, 175 | US8952169, 295)Show SMILES CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCCCC2)cc1F Show InChI InChI=1S/C18H24FNO4S/c1-25(22,23)20-18(21)15-9-14(13-7-8-13)17(10-16(15)19)24-11-12-5-3-2-4-6-12/h9-10,12-13H,2-8,11H2,1H3,(H,20,21) | PDB
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TBA
| |
Citation and Details
|
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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| PC cid
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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 9 subunit alpha
(Homo sapiens (Human)) | BDBM268527
(N-(6-cyclopropyl-7-((3,5-dichlorophenoxy)methyl)-[...)Show SMILES CS(=O)(=O)Nc1nnc2cc(COc3cc(Cl)cc(Cl)c3)c(cn12)C1CC1 Show InChI InChI=1S/C17H16Cl2N4O3S/c1-27(24,25)22-17-21-20-16-4-11(15(8-23(16)17)10-2-3-10)9-26-14-6-12(18)5-13(19)7-14/h4-8,10H,2-3,9H2,1H3,(H,21,22) | PDB
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Xenon Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of inactivated state of recombinant human NaV1.7 expressed in HEK293 cell membranes coexpressing Nav beta1 subunit assessed as decrease in... |
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 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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| 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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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 2 subunit alpha
(Homo sapiens (Human)) | BDBM145591
(US8952169, 389)Show SMILES CC1(COc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)C2CC2)CCC2(CC2)CC1 Show InChI InChI=1S/C23H30FNO4S/c1-22(6-8-23(9-7-22)10-11-23)14-29-20-13-19(24)18(12-17(20)15-2-3-15)21(26)25-30(27,28)16-4-5-16/h12-13,15-16H,2-11,14H2,1H3,(H,25,26) | PDB
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TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50465470
(CHEMBL4277472)Show SMILES CS(=O)(=O)Nc1noc2cc(COc3ccc(Cl)c(Cl)c3)c(cc12)C1CC1 Show InChI InChI=1S/C18H16Cl2N2O4S/c1-27(23,24)22-18-14-8-13(10-2-3-10)11(6-17(14)26-21-18)9-25-12-4-5-15(19)16(20)7-12/h4-8,10H,2-3,9H2,1H3,(H,21,22) | PDB
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Xenon Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of inactivated state of recombinant human NaV1.7 expressed in HEK293 cell membranes coexpressing Nav beta1 subunit assessed as decrease in... |
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)) | BDBM268527
(N-(6-cyclopropyl-7-((3,5-dichlorophenoxy)methyl)-[...)Show SMILES CS(=O)(=O)Nc1nnc2cc(COc3cc(Cl)cc(Cl)c3)c(cn12)C1CC1 Show InChI InChI=1S/C17H16Cl2N4O3S/c1-27(24,25)22-17-21-20-16-4-11(15(8-23(16)17)10-2-3-10)9-26-14-6-12(18)5-13(19)7-14/h4-8,10H,2-3,9H2,1H3,(H,21,22) | PDB
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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
(Mus musculus) | BDBM145591
(US8952169, 389)Show SMILES CC1(COc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)C2CC2)CCC2(CC2)CC1 Show InChI InChI=1S/C23H30FNO4S/c1-22(6-8-23(9-7-22)10-11-23)14-29-20-13-19(24)18(12-17(20)15-2-3-15)21(26)25-30(27,28)16-4-5-16/h12-13,15-16H,2-11,14H2,1H3,(H,25,26) | PDB
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TBA
| |
Citation and Details
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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 9 subunit alpha
(Mus musculus) | BDBM145466
(US8952169, 245)Show SMILES CC1(COc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)C2CC2)CCC(F)(F)CC1 Show InChI InChI=1S/C21H26F3NO4S/c1-20(6-8-21(23,24)9-7-20)12-29-18-11-17(22)16(10-15(18)13-2-3-13)19(26)25-30(27,28)14-4-5-14/h10-11,13-14H,2-9,12H2,1H3,(H,25,26) | PDB
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TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM268418
(N-(7-(adamantan-1-ylmethoxy)-6-ethyl-[1,2,4]triazo...)Show SMILES O=S(=O)(Nc1nnc2cc(OCC34CC5CC(CC(C5)C3)C4)c(cn12)C1CC1)C1CC1 |TLB:21:12:19:15.17.16,11:12:19:15.17.16,THB:17:18:13:15.16.21,17:16:13:19.18.20,21:16:19:12.13.20| Show InChI InChI=1S/C23H30N4O3S/c28-31(29,18-3-4-18)26-22-25-24-21-8-20(19(12-27(21)22)17-1-2-17)30-13-23-9-14-5-15(10-23)7-16(6-14)11-23/h8,12,14-18H,1-7,9-11,13H2,(H,25,26) | PDB
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Xenon Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of inactivated state of recombinant human NaV1.7 expressed in HEK293 cell membranes coexpressing Nav beta1 subunit assessed as decrease in... |
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 | |
Stearoyl-CoA desaturase
(Homo sapiens (Human)) | BDBM50424785
(CHEMBL2315102)Show SMILES FC(F)(F)c1ccccc1C(=O)N1CCN(CC1)c1ccc(nn1)C(=O)Nc1ccc(Cl)cc1 Show InChI InChI=1S/C23H19ClF3N5O2/c24-15-5-7-16(8-6-15)28-21(33)19-9-10-20(30-29-19)31-11-13-32(14-12-31)22(34)17-3-1-2-4-18(17)23(25,26)27/h1-10H,11-14H2,(H,28,33) | PDB
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of SCD1 in human HepG2 cells using [14C]-stearate substrate assessed as decreased production of [14C]-oleic acid after 24 hrs |
J Med Chem 56: 568-83 (2013)
Article DOI: 10.1021/jm301661h
BindingDB Entry DOI: 10.7270/Q25Q4XDG |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM145466
(US8952169, 245)Show SMILES CC1(COc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)C2CC2)CCC(F)(F)CC1 Show InChI InChI=1S/C21H26F3NO4S/c1-20(6-8-21(23,24)9-7-20)12-29-18-11-17(22)16(10-15(18)13-2-3-13)19(26)25-30(27,28)14-4-5-14/h10-11,13-14H,2-9,12H2,1H3,(H,25,26) | PDB
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TBA
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Citation and Details
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More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM268423
(N-(7-((3r,5r,7r)-adamantan-1-ylmethoxy)-6-cyclopro...)Show SMILES CS(=O)(=O)Nc1nnc2cc(OCC34CC5CC(CC(C5)C3)C4)c(cn12)C1CC1 |TLB:22:13:20:16.18.17,16:17:21:15.20.14,THB:22:17:20:21.13.14,16:15:21:22.18.17,12:13:20:16.18.17| Show InChI InChI=1S/C21H28N4O3S/c1-29(26,27)24-20-23-22-19-7-18(17(11-25(19)20)16-2-3-16)28-12-21-8-13-4-14(9-21)6-15(5-13)10-21/h7,11,13-16H,2-6,8-10,12H2,1H3,(H,23,24) | PDB
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Xenon Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of inactivated state of recombinant human NaV1.7 expressed in HEK293 cell membranes coexpressing Nav beta1 subunit assessed as decrease in... |
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)) | BDBM145374
(US8952169, 153)Show SMILES CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC23CC4CC(C2)C(F)(F)C(C4)C3)cc1F |TLB:15:16:22:19.18.26,THB:17:16:22:19.18.26,17:18:22:16.27.21,27:16:19:22.25.26,27:25:19:16.17.21| Show InChI InChI=1S/C22H26F3NO4S/c1-31(28,29)26-20(27)17-6-16(13-2-3-13)19(7-18(17)23)30-11-21-8-12-4-14(9-21)22(24,25)15(5-12)10-21/h6-7,12-15H,2-5,8-11H2,1H3,(H,26,27) | PDB
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TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Sodium channel protein type 4 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 | 3.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of full length human Nav1.4 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 | |
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