Found 206 hits with Last Name = 'fujiwara' and Initial = 'c' 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 subunit beta-2
(Homo sapiens) | 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
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| Purchase
MCE
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 0.400 | 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/subunit beta-1/subunit beta-2
(Mus musculus) | BDBM50257179
(CHEMBL2325622)Show SMILES CN1CC(C1)n1nccc1-c1cc(Cl)ccc1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1ncns1 Show InChI InChI=1S/C21H17ClF2N6O3S2/c1-29-9-13(10-29)30-17(4-5-26-30)14-6-12(22)2-3-18(14)33-19-7-16(24)20(8-15(19)23)35(31,32)28-21-25-11-27-34-21/h2-8,11,13H,9-10H2,1H3,(H,25,27,28) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.550 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of mouse NaV1.7/beta1/beta2 expressed in HEK293A cells by Ionworks high-throughput electrophysiology method |
J Med Chem 63: 10204-10220 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00259
BindingDB Entry DOI: 10.7270/Q2Q52T67 |
More data for this
Ligand-Target Pair | |
Sodium channel subunit beta-2
(Homo sapiens) | 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
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
Similars
| | n/a | n/a | 0.600 | 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 subunit beta-2
(Homo sapiens) | BDBM50257179
(CHEMBL2325622)Show SMILES CN1CC(C1)n1nccc1-c1cc(Cl)ccc1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1ncns1 Show InChI InChI=1S/C21H17ClF2N6O3S2/c1-29-9-13(10-29)30-17(4-5-26-30)14-6-12(22)2-3-18(14)33-19-7-16(24)20(8-15(19)23)35(31,32)28-21-25-11-27-34-21/h2-8,11,13H,9-10H2,1H3,(H,25,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human NaV1.7/beta1/beta2 expressed in HEK293A cells by Ionworks high-throughput electrophysiology method |
J Med Chem 63: 10204-10220 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00259
BindingDB Entry DOI: 10.7270/Q2Q52T67 |
More data for this
Ligand-Target Pair | |
Sodium channel subunit beta-2
(Mus musculus) | BDBM50240267
(CHEMBL2325014)Show SMILES Nc1[nH]ncc1-c1cc(Cl)ccc1Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1 Show InChI InChI=1S/C18H12Cl2FN5O3S2/c19-9-1-2-14(10(3-9)11-6-24-25-18(11)22)29-15-5-13(21)16(4-12(15)20)31(27,28)26-17-7-30-8-23-17/h1-8,26H,(H3,22,24,25) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
| PDB
Article
PubMed
| n/a | n/a | 4.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of mouse NaV1.7/beta1/beta2 expressed in HEK293A cells by Ionworks high-throughput electrophysiology method |
J Med Chem 63: 10204-10220 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00259
BindingDB Entry DOI: 10.7270/Q2Q52T67 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Platelet-derived growth factor receptor alpha/beta
(Mus musculus (mouse)) | 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) | MMDB
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 11 | 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 subunit beta-2
(Homo sapiens) | BDBM258102
(US9493448, 4 | US9845313, Example 4)Show SMILES Cn1nccc1[C@H]1CCCC[C@@H]1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1ncns1 |r| Show InChI InChI=1S/C18H19F2N5O3S2/c1-25-14(6-7-22-25)11-4-2-3-5-15(11)28-16-8-13(20)17(9-12(16)19)30(26,27)24-18-21-10-23-29-18/h6-11,15H,2-5H2,1H3,(H,21,23,24)/t11-,15+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human NaV1.7/beta1/beta2 expressed in HEK293A cells by Ionworks high-throughput electrophysiology method |
J Med Chem 63: 10204-10220 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00259
BindingDB Entry DOI: 10.7270/Q2Q52T67 |
More data for this
Ligand-Target Pair | |
Sodium channel subunit beta-2
(Homo sapiens) | BDBM50240267
(CHEMBL2325014)Show SMILES Nc1[nH]ncc1-c1cc(Cl)ccc1Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1 Show InChI InChI=1S/C18H12Cl2FN5O3S2/c19-9-1-2-14(10(3-9)11-6-24-25-18(11)22)29-15-5-13(21)16(4-12(15)20)31(27,28)26-17-7-30-8-23-17/h1-8,26H,(H3,22,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
| PDB
Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human NaV1.7/beta1/beta2 expressed in HEK293A cells by Ionworks high-throughput electrophysiology method |
J Med Chem 63: 10204-10220 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00259
BindingDB Entry DOI: 10.7270/Q2Q52T67 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Sodium channel subunit beta-2
(Homo sapiens) | BDBM50613335
(CHEMBL5288162)Show SMILES Cc1cn(-c2cccc(F)c2)c2cc(F)c(cc12)C(=O)NS(C)(=O)=O | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 14 | 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 subunit beta-2
(Mus musculus) | BDBM50613344
(CHEMBL5284082)Show SMILES Cc1cn(-c2cncc(c2)C(F)(F)F)c2cc(F)c(cc12)C(=O)NS(=O)(=O)C1CC1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 15 | 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 subunit beta-2
(Homo sapiens) | BDBM50613342
(CHEMBL5286433)Show SMILES Cc1cn(-c2cncc(c2)C(F)(F)F)c2ccc(cc12)C(=O)NS(=O)(=O)C1CC1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 15 | 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 subunit beta-2
(Mus musculus) | BDBM258162
(US9493448, 64 | US9597330, Example 21 | US9845313,...)Show SMILES Cc1cc(c(F)cc1O[C@H]1CCCC[C@@H]1c1ccnn1C)S(=O)(=O)Nc1ccncn1 |r| Show InChI InChI=1S/C21H24FN5O3S/c1-14-11-20(31(28,29)26-21-8-9-23-13-24-21)16(22)12-19(14)30-18-6-4-3-5-15(18)17-7-10-25-27(17)2/h7-13,15,18H,3-6H2,1-2H3,(H,23,24,26)/t15-,18+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of mouse NaV1.7/beta1/beta2 expressed in HEK293A cells by Ionworks high-throughput electrophysiology method |
J Med Chem 63: 10204-10220 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00259
BindingDB Entry DOI: 10.7270/Q2Q52T67 |
More data for this
Ligand-Target Pair | |
Sodium channel subunit beta-2
(Mus musculus) | BDBM50613336
(CHEMBL5276801)Show SMILES Cc1cn(-c2cccc(c2)C(F)(F)F)c2cc(F)c(cc12)C(=O)NS(C)(=O)=O | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 16 | 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 subunit beta-2
(Homo sapiens) | BDBM258106
(US9493448, 8 | US9845313, Example 8)Show SMILES Cn1nccc1[C@H]1CCC[C@@H]1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1ncns1 |r| Show InChI InChI=1S/C17H17F2N5O3S2/c1-24-13(5-6-21-24)10-3-2-4-14(10)27-15-7-12(19)16(8-11(15)18)29(25,26)23-17-20-9-22-28-17/h5-10,14H,2-4H2,1H3,(H,20,22,23)/t10-,14+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human NaV1.7/beta1/beta2 expressed in HEK293A cells by Ionworks high-throughput electrophysiology method |
J Med Chem 63: 10204-10220 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00259
BindingDB Entry DOI: 10.7270/Q2Q52T67 |
More data for this
Ligand-Target Pair | |
Sodium channel subunit beta-2
(Mus musculus) | BDBM258102
(US9493448, 4 | US9845313, Example 4)Show SMILES Cn1nccc1[C@H]1CCCC[C@@H]1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1ncns1 |r| Show InChI InChI=1S/C18H19F2N5O3S2/c1-25-14(6-7-22-25)11-4-2-3-5-15(11)28-16-8-13(20)17(9-12(16)19)30(26,27)24-18-21-10-23-29-18/h6-11,15H,2-5H2,1H3,(H,21,23,24)/t11-,15+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of mouse NaV1.7/beta1/beta2 expressed in HEK293A cells by Ionworks high-throughput electrophysiology method |
J Med Chem 63: 10204-10220 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00259
BindingDB Entry DOI: 10.7270/Q2Q52T67 |
More data for this
Ligand-Target Pair | |
Sodium channel subunit beta-2
(Homo sapiens) | BDBM50613336
(CHEMBL5276801)Show SMILES Cc1cn(-c2cccc(c2)C(F)(F)F)c2cc(F)c(cc12)C(=O)NS(C)(=O)=O | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 19 | 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)) | BDBM258146
(US9493448, 122 | US9493448, 154 | US9493448, 48 | ...)Show SMILES Cn1nccc1[C@H]1CCCC[C@@H]1Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1 |r| Show InChI InChI=1S/C20H21ClFN5O3S/c1-27-16(6-9-25-27)13-4-2-3-5-17(13)30-18-11-15(22)19(10-14(18)21)31(28,29)26-20-7-8-23-12-24-20/h6-13,17H,2-5H2,1H3,(H,23,24,26)/t13-,17+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human Nav1.7 expressed in CHO cells with -120 mV holding potential by whole cell manual patch clamp method |
J Med Chem 63: 10204-10220 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00259
BindingDB Entry DOI: 10.7270/Q2Q52T67 |
More data for this
Ligand-Target Pair | |
Sodium channel subunit beta-2
(Homo sapiens) | BDBM258141
(US9493448, 43 | US9597330, Example 10 | US9845313,...)Show SMILES Cc1cc(c(F)cc1O[C@H]1CCC[C@@H]1c1ccnn1C)S(=O)(=O)Nc1ccncn1 |r| Show InChI InChI=1S/C20H22FN5O3S/c1-13-10-19(30(27,28)25-20-7-8-22-12-23-20)15(21)11-18(13)29-17-5-3-4-14(17)16-6-9-24-26(16)2/h6-12,14,17H,3-5H2,1-2H3,(H,22,23,25)/t14-,17+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human NaV1.7/beta1/beta2 expressed in HEK293A cells by Ionworks high-throughput electrophysiology method |
J Med Chem 63: 10204-10220 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00259
BindingDB Entry DOI: 10.7270/Q2Q52T67 |
More data for this
Ligand-Target Pair | |
Sodium channel subunit beta-2
(Homo sapiens) | BDBM258146
(US9493448, 122 | US9493448, 154 | US9493448, 48 | ...)Show SMILES Cn1nccc1[C@H]1CCCC[C@@H]1Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1 |r| Show InChI InChI=1S/C20H21ClFN5O3S/c1-27-16(6-9-25-27)13-4-2-3-5-17(13)30-18-11-15(22)19(10-14(18)21)31(28,29)26-20-7-8-23-12-24-20/h6-13,17H,2-5H2,1H3,(H,23,24,26)/t13-,17+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 24.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human NaV1.7/beta1/beta2 expressed in HEK293A cells by Ionworks high-throughput electrophysiology method |
J Med Chem 63: 10204-10220 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00259
BindingDB Entry DOI: 10.7270/Q2Q52T67 |
More data for this
Ligand-Target Pair | |
Sodium channel subunit beta-2
(Homo sapiens) | BDBM258146
(US9493448, 122 | US9493448, 154 | US9493448, 48 | ...)Show SMILES Cn1nccc1[C@H]1CCCC[C@@H]1Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1 |r| Show InChI InChI=1S/C20H21ClFN5O3S/c1-27-16(6-9-25-27)13-4-2-3-5-17(13)30-18-11-15(22)19(10-14(18)21)31(28,29)26-20-7-8-23-12-24-20/h6-13,17H,2-5H2,1H3,(H,23,24,26)/t13-,17+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human NaV1.7/beta1/beta2 expressed in HEK293A cells by Ionworks high-throughput electrophysiology method |
J Med Chem 63: 10204-10220 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00259
BindingDB Entry DOI: 10.7270/Q2Q52T67 |
More data for this
Ligand-Target Pair | |
Sodium channel subunit beta-2
(Mus musculus) | BDBM258146
(US9493448, 122 | US9493448, 154 | US9493448, 48 | ...)Show SMILES Cn1nccc1[C@H]1CCCC[C@@H]1Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1 |r| Show InChI InChI=1S/C20H21ClFN5O3S/c1-27-16(6-9-25-27)13-4-2-3-5-17(13)30-18-11-15(22)19(10-14(18)21)31(28,29)26-20-7-8-23-12-24-20/h6-13,17H,2-5H2,1H3,(H,23,24,26)/t13-,17+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 26.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of mouse NaV1.7/beta1/beta2 expressed in HEK293A cells by Ionworks high-throughput electrophysiology method |
J Med Chem 63: 10204-10220 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00259
BindingDB Entry DOI: 10.7270/Q2Q52T67 |
More data for this
Ligand-Target Pair | |
Sodium channel subunit beta-2
(Mus musculus) | BDBM258146
(US9493448, 122 | US9493448, 154 | US9493448, 48 | ...)Show SMILES Cn1nccc1[C@H]1CCCC[C@@H]1Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1 |r| Show InChI InChI=1S/C20H21ClFN5O3S/c1-27-16(6-9-25-27)13-4-2-3-5-17(13)30-18-11-15(22)19(10-14(18)21)31(28,29)26-20-7-8-23-12-24-20/h6-13,17H,2-5H2,1H3,(H,23,24,26)/t13-,17+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of mouse NaV1.7/beta1/beta2 expressed in HEK293A cells by Ionworks high-throughput electrophysiology method |
J Med Chem 63: 10204-10220 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00259
BindingDB Entry DOI: 10.7270/Q2Q52T67 |
More data for this
Ligand-Target Pair | |
Sodium channel subunit beta-2
(Mus musculus) | BDBM258141
(US9493448, 43 | US9597330, Example 10 | US9845313,...)Show SMILES Cc1cc(c(F)cc1O[C@H]1CCC[C@@H]1c1ccnn1C)S(=O)(=O)Nc1ccncn1 |r| Show InChI InChI=1S/C20H22FN5O3S/c1-13-10-19(30(27,28)25-20-7-8-22-12-23-20)15(21)11-18(13)29-17-5-3-4-14(17)16-6-9-24-26(16)2/h6-12,14,17H,3-5H2,1-2H3,(H,22,23,25)/t14-,17+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of mouse NaV1.7/beta1/beta2 expressed in HEK293A cells by Ionworks high-throughput electrophysiology method |
J Med Chem 63: 10204-10220 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00259
BindingDB Entry DOI: 10.7270/Q2Q52T67 |
More data for this
Ligand-Target Pair | |
Sodium channel subunit beta-2
(Mus musculus) | BDBM258118
(US9493448, 20 | US9597330, Example 2 | US9845313, ...)Show SMILES Cn1nccc1[C@H]1CCC[C@@H]1Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1 |r| Show InChI InChI=1S/C19H19ClFN5O3S/c1-26-15(5-8-24-26)12-3-2-4-16(12)29-17-10-14(21)18(9-13(17)20)30(27,28)25-19-6-7-22-11-23-19/h5-12,16H,2-4H2,1H3,(H,22,23,25)/t12-,16+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of mouse NaV1.7/beta1/beta2 expressed in HEK293A cells by Ionworks high-throughput electrophysiology method |
J Med Chem 63: 10204-10220 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00259
BindingDB Entry DOI: 10.7270/Q2Q52T67 |
More data for this
Ligand-Target Pair | |
Sodium channel subunit beta-2
(Homo sapiens) | BDBM301817
(5-Chloro-2-fluoro-4-{[(1S*,2R*)-2-(1-methyl-1H-pyr...)Show SMILES Cn1nccc1[C@H]1CCCCC[C@@H]1Oc1cc(F)c(c(F)c1)S(=O)(=O)Nc1ccncn1 |r| Show InChI InChI=1S/C21H23F2N5O3S/c1-28-18(7-10-26-28)15-5-3-2-4-6-19(15)31-14-11-16(22)21(17(23)12-14)32(29,30)27-20-8-9-24-13-25-20/h7-13,15,19H,2-6H2,1H3,(H,24,25,27)/t15-,19+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human NaV1.7/beta1/beta2 expressed in HEK293A cells by Ionworks high-throughput electrophysiology method |
J Med Chem 63: 10204-10220 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00259
BindingDB Entry DOI: 10.7270/Q2Q52T67 |
More data for this
Ligand-Target Pair | |
Sodium channel subunit beta-2
(Homo sapiens) | BDBM258113
(US9493448, 15 | US9845313, Example 15)Show SMILES Cn1nccc1[C@H]1CCC[C@@H]1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1nccs1 |r| Show InChI InChI=1S/C18H18F2N4O3S2/c1-24-14(5-6-22-24)11-3-2-4-15(11)27-16-9-13(20)17(10-12(16)19)29(25,26)23-18-21-7-8-28-18/h5-11,15H,2-4H2,1H3,(H,21,23)/t11-,15+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human NaV1.7/beta1/beta2 expressed in HEK293A cells by Ionworks high-throughput electrophysiology method |
J Med Chem 63: 10204-10220 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00259
BindingDB Entry DOI: 10.7270/Q2Q52T67 |
More data for this
Ligand-Target Pair | |
Sodium channel subunit beta-2
(Homo sapiens) | BDBM258144
(US9493448, 46 | US9597330, Example 11 | US9845313,...)Show SMILES Cn1nccc1[C@H]1CCCC[C@@H]1Oc1cc(F)c(c(F)c1)S(=O)(=O)Nc1ccncn1 |r| Show InChI InChI=1S/C20H21F2N5O3S/c1-27-17(6-9-25-27)14-4-2-3-5-18(14)30-13-10-15(21)20(16(22)11-13)31(28,29)26-19-7-8-23-12-24-19/h6-12,14,18H,2-5H2,1H3,(H,23,24,26)/t14-,18+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human NaV1.7/beta1/beta2 expressed in HEK293A cells by Ionworks high-throughput electrophysiology method |
J Med Chem 63: 10204-10220 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00259
BindingDB Entry DOI: 10.7270/Q2Q52T67 |
More data for this
Ligand-Target Pair | |
Sodium channel subunit beta-2
(Homo sapiens) | BDBM258162
(US9493448, 64 | US9597330, Example 21 | US9845313,...)Show SMILES Cc1cc(c(F)cc1O[C@H]1CCCC[C@@H]1c1ccnn1C)S(=O)(=O)Nc1ccncn1 |r| Show InChI InChI=1S/C21H24FN5O3S/c1-14-11-20(31(28,29)26-21-8-9-23-13-24-21)16(22)12-19(14)30-18-6-4-3-5-15(18)17-7-10-25-27(17)2/h7-13,15,18H,3-6H2,1-2H3,(H,23,24,26)/t15-,18+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human NaV1.7/beta1/beta2 expressed in HEK293A cells by Ionworks high-throughput electrophysiology method |
J Med Chem 63: 10204-10220 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00259
BindingDB Entry DOI: 10.7270/Q2Q52T67 |
More data for this
Ligand-Target Pair | |
Sodium channel subunit beta-2
(Homo sapiens) | BDBM50613337
(CHEMBL5286829)Show SMILES Cc1cn(-c2cccc(F)c2)c2ccc(cc12)C(=O)NS(=O)(=O)C1CC1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 32 | 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 subunit beta-2
(Homo sapiens) | BDBM50613334
(CHEMBL5270366)Show SMILES Cc1cn(-c2cccc(c2)C(F)(F)F)c2ccc(cc12)C(=O)NS(C)(=O)=O | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 34 | 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 subunit beta-2
(Homo sapiens) | BDBM50613328
(CHEMBL5280425)Show SMILES Cc1cn(-c2cccc(F)c2)c2ccc(cc12)C(=O)NS(C)(=O)=O | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 38 | 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 subunit beta-2
(Homo sapiens) | BDBM50613344
(CHEMBL5284082)Show SMILES Cc1cn(-c2cncc(c2)C(F)(F)F)c2cc(F)c(cc12)C(=O)NS(=O)(=O)C1CC1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 40 | 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 subunit beta-2
(Mus musculus) | BDBM301817
(5-Chloro-2-fluoro-4-{[(1S*,2R*)-2-(1-methyl-1H-pyr...)Show SMILES Cn1nccc1[C@H]1CCCCC[C@@H]1Oc1cc(F)c(c(F)c1)S(=O)(=O)Nc1ccncn1 |r| Show InChI InChI=1S/C21H23F2N5O3S/c1-28-18(7-10-26-28)15-5-3-2-4-6-19(15)31-14-11-16(22)21(17(23)12-14)32(29,30)27-20-8-9-24-13-25-20/h7-13,15,19H,2-6H2,1H3,(H,24,25,27)/t15-,19+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of mouse NaV1.7/beta1/beta2 expressed in HEK293A cells by Ionworks high-throughput electrophysiology method |
J Med Chem 63: 10204-10220 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00259
BindingDB Entry DOI: 10.7270/Q2Q52T67 |
More data for this
Ligand-Target Pair | |
Sodium channel subunit beta-2
(Homo sapiens) | BDBM258118
(US9493448, 20 | US9597330, Example 2 | US9845313, ...)Show SMILES Cn1nccc1[C@H]1CCC[C@@H]1Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1 |r| Show InChI InChI=1S/C19H19ClFN5O3S/c1-26-15(5-8-24-26)12-3-2-4-16(12)29-17-10-14(21)18(9-13(17)20)30(27,28)25-19-6-7-22-11-23-19/h5-12,16H,2-4H2,1H3,(H,22,23,25)/t12-,16+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human NaV1.7/beta1/beta2 expressed in HEK293A cells by Ionworks high-throughput electrophysiology method |
J Med Chem 63: 10204-10220 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00259
BindingDB Entry DOI: 10.7270/Q2Q52T67 |
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha/beta
(Mus musculus (mouse)) | 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) | MMDB
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 51 | 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 subunit beta-2
(Homo sapiens) | BDBM50405441
(CHEMBL5286125)Show SMILES COc1ccc(CCNCC(O)COc2ccc(cc2)-c2nc(c[nH]2)C(C)C)cc1OC Show InChI InChI=1S/C25H33N3O4/c1-17(2)22-15-27-25(28-22)19-6-8-21(9-7-19)32-16-20(29)14-26-12-11-18-5-10-23(30-3)24(13-18)31-4/h5-10,13,15,17,20,26,29H,11-12,14,16H2,1-4H3,(H,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 52 | 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 subunit beta-2
(Mus musculus) | BDBM258144
(US9493448, 46 | US9597330, Example 11 | US9845313,...)Show SMILES Cn1nccc1[C@H]1CCCC[C@@H]1Oc1cc(F)c(c(F)c1)S(=O)(=O)Nc1ccncn1 |r| Show InChI InChI=1S/C20H21F2N5O3S/c1-27-17(6-9-25-27)14-4-2-3-5-18(14)30-13-10-15(21)20(16(22)11-13)31(28,29)26-19-7-8-23-12-24-19/h6-12,14,18H,2-5H2,1H3,(H,23,24,26)/t14-,18+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 56 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of mouse NaV1.7/beta1/beta2 expressed in HEK293A cells by Ionworks high-throughput electrophysiology method |
J Med Chem 63: 10204-10220 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00259
BindingDB Entry DOI: 10.7270/Q2Q52T67 |
More data for this
Ligand-Target Pair | |
Sodium channel subunit beta-2
(Homo sapiens) | BDBM50613332
(CHEMBL5285313)Show SMILES Cc1cn(-c2cccc(C)c2)c2ccc(cc12)C(=O)NS(C)(=O)=O | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 58 | 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 subunit beta-2
(Homo sapiens) | BDBM50613343
(CHEMBL5287784)Show SMILES Cc1cn(-c2ccc(nc2)C(F)(F)F)c2ccc(cc12)C(=O)NS(=O)(=O)C1CC1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 59 | 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 subunit beta-2
(Mus musculus) | BDBM258146
(US9493448, 122 | US9493448, 154 | US9493448, 48 | ...)Show SMILES Cn1nccc1[C@H]1CCCC[C@@H]1Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1 |r| Show InChI InChI=1S/C20H21ClFN5O3S/c1-27-16(6-9-25-27)13-4-2-3-5-17(13)30-18-11-15(22)19(10-14(18)21)31(28,29)26-20-7-8-23-12-24-20/h6-13,17H,2-5H2,1H3,(H,23,24,26)/t13-,17+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 59 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of mouse Nav1.7/beta1/beta2 expressed in HEK293A cells with -120 mV holding potential by whole cell manual patch clamp method |
J Med Chem 63: 10204-10220 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00259
BindingDB Entry DOI: 10.7270/Q2Q52T67 |
More data for this
Ligand-Target Pair | |
Sodium channel subunit beta-2
(Homo sapiens) | BDBM258125
(US9493448, 27 | US9597330, Example 4 | US9845313, ...)Show SMILES Cn1nccc1[C@H]1CCC[C@@H]1Oc1cc(F)c(c(F)c1)S(=O)(=O)Nc1ccncn1 |r| Show InChI InChI=1S/C19H19F2N5O3S/c1-26-16(5-8-24-26)13-3-2-4-17(13)29-12-9-14(20)19(15(21)10-12)30(27,28)25-18-6-7-22-11-23-18/h5-11,13,17H,2-4H2,1H3,(H,22,23,25)/t13-,17+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human NaV1.7/beta1/beta2 expressed in HEK293A cells by Ionworks high-throughput electrophysiology method |
J Med Chem 63: 10204-10220 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00259
BindingDB Entry DOI: 10.7270/Q2Q52T67 |
More data for this
Ligand-Target Pair | |
Sodium channel subunit beta-2
(Mus musculus) | BDBM50613342
(CHEMBL5286433)Show SMILES Cc1cn(-c2cncc(c2)C(F)(F)F)c2ccc(cc12)C(=O)NS(=O)(=O)C1CC1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 61 | 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 subunit beta-2
(Homo sapiens) | BDBM50613341
(CHEMBL5267728)Show SMILES Cc1cn(-c2cncc(Cl)c2)c2ccc(cc12)C(=O)NS(=O)(=O)C1CC1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 85 | 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 subunit beta-2
(Homo sapiens) | BDBM50613330
(CHEMBL5269981)Show SMILES Cc1cn(-c2cccc(Cl)c2)c2ccc(cc12)C(=O)NS(C)(=O)=O | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 87 | 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 subunit beta-2
(Mus musculus) | BDBM258125
(US9493448, 27 | US9597330, Example 4 | US9845313, ...)Show SMILES Cn1nccc1[C@H]1CCC[C@@H]1Oc1cc(F)c(c(F)c1)S(=O)(=O)Nc1ccncn1 |r| Show InChI InChI=1S/C19H19F2N5O3S/c1-26-16(5-8-24-26)13-3-2-4-17(13)29-12-9-14(20)19(15(21)10-12)30(27,28)25-18-6-7-22-11-23-18/h5-11,13,17H,2-4H2,1H3,(H,22,23,25)/t13-,17+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 96 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of mouse NaV1.7/beta1/beta2 expressed in HEK293A cells by Ionworks high-throughput electrophysiology method |
J Med Chem 63: 10204-10220 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00259
BindingDB Entry DOI: 10.7270/Q2Q52T67 |
More data for this
Ligand-Target Pair | |
Sodium channel subunit beta-2
(Mus musculus) | BDBM258113
(US9493448, 15 | US9845313, Example 15)Show SMILES Cn1nccc1[C@H]1CCC[C@@H]1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1nccs1 |r| Show InChI InChI=1S/C18H18F2N4O3S2/c1-24-14(5-6-22-24)11-3-2-4-15(11)27-16-9-13(20)17(10-12(16)19)29(25,26)23-18-21-7-8-28-18/h5-11,15H,2-4H2,1H3,(H,21,23)/t11-,15+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of mouse NaV1.7/beta1/beta2 expressed in HEK293A cells by Ionworks high-throughput electrophysiology method |
J Med Chem 63: 10204-10220 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00259
BindingDB Entry DOI: 10.7270/Q2Q52T67 |
More data for this
Ligand-Target Pair | |
Sodium channel subunit beta-2
(Homo sapiens) | BDBM258123
(US9493448, 25 | US9597330, Example 3 | US9845313, ...)Show SMILES Cn1nccc1[C@H]1CCCC[C@@H]1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1ccncn1 |r| Show InChI InChI=1S/C20H21F2N5O3S/c1-27-16(6-9-25-27)13-4-2-3-5-17(13)30-18-10-15(22)19(11-14(18)21)31(28,29)26-20-7-8-23-12-24-20/h6-13,17H,2-5H2,1H3,(H,23,24,26)/t13-,17+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 113 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human NaV1.7/beta1/beta2 expressed in HEK293A cells by Ionworks high-throughput electrophysiology method |
J Med Chem 63: 10204-10220 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00259
BindingDB Entry DOI: 10.7270/Q2Q52T67 |
More data for this
Ligand-Target Pair | |
Sodium channel subunit beta-2
(Homo sapiens) | BDBM258112
(US9493448, 14 | US9493448, 31 | US9597330, Example...)Show SMILES Cn1nccc1[C@H]1CCC[C@@H]1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1ccncn1 |r| Show InChI InChI=1S/C19H19F2N5O3S/c1-26-15(5-8-24-26)12-3-2-4-16(12)29-17-9-14(21)18(10-13(17)20)30(27,28)25-19-6-7-22-11-23-19/h5-12,16H,2-4H2,1H3,(H,22,23,25)/t12-,16+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human NaV1.7/beta1/beta2 expressed in HEK293A cells by Ionworks high-throughput electrophysiology method |
J Med Chem 63: 10204-10220 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00259
BindingDB Entry DOI: 10.7270/Q2Q52T67 |
More data for this
Ligand-Target Pair | |
Sodium channel subunit beta-2
(Homo sapiens) | BDBM50613333
(CHEMBL5276666)Show SMILES COc1cccc(c1)-n1cc(C)c2cc(ccc12)C(=O)NS(C)(=O)=O | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 190 | 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 subunit beta-2
(Homo sapiens) | BDBM50613329
(CHEMBL5270710)Show SMILES Cc1cn(-c2ccc(F)cc2)c2ccc(cc12)C(=O)NS(C)(=O)=O | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
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