Found 1186 hits with Last Name = 'shinozuka' and Initial = 't' 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
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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
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PC sid
PDB
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| | 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 protein type 9 subunit alpha
(Mus musculus) | BDBM50240277
(CHEMBL4061793)Show SMILES Fc1cc(NCC23CCCN2CCC3)c(Cl)cc1S(=O)(=O)Nc1nccs1 Show InChI InChI=1S/C17H20ClFN4O2S2/c18-12-9-15(27(24,25)22-16-20-5-8-26-16)13(19)10-14(12)21-11-17-3-1-6-23(17)7-2-4-17/h5,8-10,21H,1-4,6-7,11H2,(H,20,22) | 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
Concentration at which the clotting time was prolonged by twice that of the control by inhibiting thrombin |
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
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| 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 protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM258159
(US9493448, 61 | US9845313, Example 61)Show SMILES CCc1cc(c(F)cc1O[C@H]1CCC[C@@H]1c1ccnn1C)S(=O)(=O)Nc1ccncn1 |r| Show InChI InChI=1S/C21H24FN5O3S/c1-3-14-11-20(31(28,29)26-21-8-9-23-13-24-21)16(22)12-19(14)30-18-6-4-5-15(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
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| PC cid
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UniChem
| US Patent
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
DAIICHI SANKYO COMPANY, LIMITED
US Patent
| Assay Description
Current record was obtained by an automated patch clamp system “IonWorks Quattro (Molecular Devices Corporation)” in Population Patch Clamp mode. The... |
US Patent US9845313 (2017)
BindingDB Entry DOI: 10.7270/Q25141H5 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM258159
(US9493448, 61 | US9845313, Example 61)Show SMILES CCc1cc(c(F)cc1O[C@H]1CCC[C@@H]1c1ccnn1C)S(=O)(=O)Nc1ccncn1 |r| Show InChI InChI=1S/C21H24FN5O3S/c1-3-14-11-20(31(28,29)26-21-8-9-23-13-24-21)16(22)12-19(14)30-18-6-4-5-15(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
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | 7.3 | 37 |
DAIICHI SANKYO COMPANY, LIMITED
US Patent
| Assay Description
Current record was obtained by an automated patch clamp system IonWorks Quattro (Molecular Devices Corporation) in Population Patch Clamp mode. The o... |
US Patent US9493448 (2016)
BindingDB Entry DOI: 10.7270/Q29022QD |
More data for this
Ligand-Target Pair | |
Cathepsin K
(Homo sapiens (Human)) | BDBM50179532
(1-(biphenyl-3-ylamino)-cyclohexanecarboxylic acid ...)Show SMILES CC[C@@H](CNc1ccc(OC)cc1)NC(=O)C1(CCCCC1)Nc1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C30H37N3O2/c1-3-25(22-31-26-15-17-28(35-2)18-16-26)32-29(34)30(19-8-5-9-20-30)33-27-14-10-13-24(21-27)23-11-6-4-7-12-23/h4,6-7,10-18,21,25,31,33H,3,5,8-9,19-20,22H2,1-2H3,(H,32,34)/t25-/m0/s1 | PDB
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibitory activity against recombinant human Cathepsin K |
Bioorg Med Chem Lett 16: 1502-5 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.053
BindingDB Entry DOI: 10.7270/Q2T154FS |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50240277
(CHEMBL4061793)Show SMILES Fc1cc(NCC23CCCN2CCC3)c(Cl)cc1S(=O)(=O)Nc1nccs1 Show InChI InChI=1S/C17H20ClFN4O2S2/c18-12-9-15(27(24,25)22-16-20-5-8-26-16)13(19)10-14(12)21-11-17-3-1-6-23(17)7-2-4-17/h5,8-10,21H,1-4,6-7,11H2,(H,20,22) | PDB
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| | n/a | n/a | 3.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Concentration at which the clotting time was prolonged by twice that of the control by inhibiting thrombin |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM217483
(US9212182, 477 | US9212182, 478)Show SMILES COc1cc(c(F)cc1-n1c2ccc(cc2ccc1=O)S(=O)(=O)Nc1ccon1)-c1cc(F)cc(Cl)c1 |(-1.33,-5.39,;,-4.62,;1.33,-5.39,;1.33,-6.93,;2.67,-7.7,;4,-6.93,;5.33,-7.7,;4,-5.39,;2.67,-4.62,;2.67,-3.08,;1.33,-2.31,;,-3.08,;-1.33,-2.31,;-1.33,-.77,;;1.33,-.77,;2.67,,;4,-.77,;4,-2.31,;5.33,-3.08,;-2.67,,;-3.44,-1.33,;-1.9,1.33,;-4,.77,;-4,2.31,;-5.25,3.22,;-4.77,4.68,;-3.23,4.68,;-2.76,3.22,;2.67,-9.24,;1.33,-10.01,;1.33,-11.55,;,-12.32,;2.67,-12.32,;4,-11.55,;5.33,-12.32,;4,-10.01,)| Show InChI InChI=1S/C25H16ClF2N3O5S/c1-35-23-12-19(15-8-16(26)11-17(27)9-15)20(28)13-22(23)31-21-4-3-18(10-14(21)2-5-25(31)32)37(33,34)30-24-6-7-36-29-24/h2-13H,1H3,(H,29,30) | PDB
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| | n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Concentration at which the clotting time was prolonged by twice that of the control by inhibiting thrombin |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Sodium channel protein type 5 subunit alpha
(Homo sapiens (Human)) | BDBM76858
(US9546164, 580 | US9694002, 580)Show SMILES CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(Cc3cc(ccc3Cl)C(F)(F)F)CC2)cc1F Show InChI InChI=1S/C25H27ClF4N2O4S/c1-37(34,35)31-24(33)20-11-19(16-2-3-16)23(12-22(20)27)36-14-15-6-8-32(9-7-15)13-17-10-18(25(28,29)30)4-5-21(17)26/h4-5,10-12,15-16H,2-3,6-9,13-14H2,1H3,(H,31,33) | PDB
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| | n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Concentration at which the clotting time was prolonged by twice that of the control by inhibiting thrombin |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Cathepsin K
(Homo sapiens (Human)) | BDBM50179555
((S)-2-(biphenyl-3-ylamino)-4-methyl-pentanoic acid...)Show SMILES CC[C@@H](CNc1ccc(OC)cc1)NC(=O)[C@H](CC(C)C)Nc1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C29H37N3O2/c1-5-24(20-30-25-14-16-27(34-4)17-15-25)32-29(33)28(18-21(2)3)31-26-13-9-12-23(19-26)22-10-7-6-8-11-22/h6-17,19,21,24,28,30-31H,5,18,20H2,1-4H3,(H,32,33)/t24-,28-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
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| CHEMBL
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 |
Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibitory activity against recombinant human Cathepsin K |
Bioorg Med Chem Lett 16: 1502-5 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.053
BindingDB Entry DOI: 10.7270/Q2T154FS |
More data for this
Ligand-Target Pair | |
Cathepsin K
(Homo sapiens (Human)) | BDBM50179548
(1-(biphenyl-3-ylamino)-cyclohexanecarboxylic acid ...)Show SMILES CCC[C@@H](CNc1ccc(OC)cc1)NC(=O)C1(CCCCC1)Nc1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C31H39N3O2/c1-3-11-28(23-32-26-16-18-29(36-2)19-17-26)33-30(35)31(20-8-5-9-21-31)34-27-15-10-14-25(22-27)24-12-6-4-7-13-24/h4,6-7,10,12-19,22,28,32,34H,3,5,8-9,11,20-21,23H2,1-2H3,(H,33,35)/t28-/m0/s1 | PDB
MMDB
Reactome pathway
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GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibitory activity against recombinant human Cathepsin K |
Bioorg Med Chem Lett 16: 1502-5 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.053
BindingDB Entry DOI: 10.7270/Q2T154FS |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Mus musculus) | BDBM50240277
(CHEMBL4061793)Show SMILES Fc1cc(NCC23CCCN2CCC3)c(Cl)cc1S(=O)(=O)Nc1nccs1 Show InChI InChI=1S/C17H20ClFN4O2S2/c18-12-9-15(27(24,25)22-16-20-5-8-26-16)13(19)10-14(12)21-11-17-3-1-6-23(17)7-2-4-17/h5,8-10,21H,1-4,6-7,11H2,(H,20,22) | PDB
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| | n/a | n/a | 3.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Concentration at which the clotting time was prolonged by twice that of the control by inhibiting thrombin |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Cathepsin K
(Homo sapiens (Human)) | BDBM50179543
((4-{(S)-2-[(S)-2-(biphenyl-3-ylamino)-4-methyl-pen...)Show SMILES CC[C@@H](CNc1ccc(OCC(O)=O)cc1)NC(=O)[C@H](CC(C)C)Nc1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C30H37N3O4/c1-4-24(19-31-25-13-15-27(16-14-25)37-20-29(34)35)33-30(36)28(17-21(2)3)32-26-12-8-11-23(18-26)22-9-6-5-7-10-22/h5-16,18,21,24,28,31-32H,4,17,19-20H2,1-3H3,(H,33,36)(H,34,35)/t24-,28-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibitory activity against recombinant human Cathepsin K |
Bioorg Med Chem Lett 16: 1502-5 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.053
BindingDB Entry DOI: 10.7270/Q2T154FS |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 8
(Homo sapiens (Human)) | BDBM50579915
(CHEMBL4442570)Show SMILES CN(C)C(=O)CCCc1ccc(Oc2cc(C)nc3sc(C(N)=O)c(N)c23)c(F)c1 | PDB
Reactome pathway
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| Article
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| n/a | n/a | 4.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of CDK8 in human HEK293 cells measured by NanoBRET assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128440
BindingDB Entry DOI: 10.7270/Q2PK0M1K |
More data for this
Ligand-Target Pair | |
Cathepsin K
(Homo sapiens (Human)) | BDBM50179547
(CHEMBL557986 | [4-((S)-2-{[1-(biphenyl-3-ylamino)-...)Show SMILES CC[C@@H](CNc1ccc(OCC(O)=O)cc1)NC(=O)C1(CCCCC1)Nc1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C31H37N3O4/c1-2-25(21-32-26-14-16-28(17-15-26)38-22-29(35)36)33-30(37)31(18-7-4-8-19-31)34-27-13-9-12-24(20-27)23-10-5-3-6-11-23/h3,5-6,9-17,20,25,32,34H,2,4,7-8,18-19,21-22H2,1H3,(H,33,37)(H,35,36)/t25-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
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GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibitory activity against recombinant human Cathepsin K |
Bioorg Med Chem Lett 16: 1502-5 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.053
BindingDB Entry DOI: 10.7270/Q2T154FS |
More data for this
Ligand-Target Pair | |
Cathepsin K
(Homo sapiens (Human)) | BDBM50179539
(CHEMBL383551 | [4-((S)-2-{[1-(biphenyl-3-ylamino)-...)Show SMILES CC[C@@H](CNc1ccc(OCC(=O)OC(C)(C)C)cc1)NC(=O)C1(CCCCC1)Nc1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C35H45N3O4/c1-5-28(24-36-29-17-19-31(20-18-29)41-25-32(39)42-34(2,3)4)37-33(40)35(21-10-7-11-22-35)38-30-16-12-15-27(23-30)26-13-8-6-9-14-26/h6,8-9,12-20,23,28,36,38H,5,7,10-11,21-22,24-25H2,1-4H3,(H,37,40)/t28-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibitory activity against recombinant human Cathepsin K |
Bioorg Med Chem Lett 16: 1502-5 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.053
BindingDB Entry DOI: 10.7270/Q2T154FS |
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
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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) |
Cathepsin K
(Homo sapiens (Human)) | BDBM50179542
(1-(biphenyl-3-ylamino)-cyclohexanecarboxylic acid ...)Show SMILES CCCC[C@@H](CNc1ccc(OC)cc1)NC(=O)C1(CCCCC1)Nc1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C32H41N3O2/c1-3-4-15-29(24-33-27-17-19-30(37-2)20-18-27)34-31(36)32(21-9-6-10-22-32)35-28-16-11-14-26(23-28)25-12-7-5-8-13-25/h5,7-8,11-14,16-20,23,29,33,35H,3-4,6,9-10,15,21-22,24H2,1-2H3,(H,34,36)/t29-/m0/s1 | PDB
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Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibitory activity against recombinant human Cathepsin K |
Bioorg Med Chem Lett 16: 1502-5 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.053
BindingDB Entry DOI: 10.7270/Q2T154FS |
More data for this
Ligand-Target Pair | |
Cathepsin K
(Homo sapiens (Human)) | BDBM50179558
((4-{(S)-2-[(S)-2-(biphenyl-3-ylamino)-4-methyl-pen...)Show SMILES CC[C@@H](CNc1ccc(OCC(=O)OC(C)(C)C)cc1)NC(=O)[C@H](CC(C)C)Nc1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C34H45N3O4/c1-7-27(22-35-28-16-18-30(19-17-28)40-23-32(38)41-34(4,5)6)37-33(39)31(20-24(2)3)36-29-15-11-14-26(21-29)25-12-9-8-10-13-25/h8-19,21,24,27,31,35-36H,7,20,22-23H2,1-6H3,(H,37,39)/t27-,31-/m0/s1 | PDB
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Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibitory activity against recombinant human Cathepsin K |
Bioorg Med Chem Lett 16: 1502-5 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.053
BindingDB Entry DOI: 10.7270/Q2T154FS |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(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
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TBA
| Assay Description
Concentration at which the clotting time was prolonged by twice that of the control by inhibiting thrombin |
Citation and Details
|
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM217483
(US9212182, 477 | US9212182, 478)Show SMILES COc1cc(c(F)cc1-n1c2ccc(cc2ccc1=O)S(=O)(=O)Nc1ccon1)-c1cc(F)cc(Cl)c1 |(-1.33,-5.39,;,-4.62,;1.33,-5.39,;1.33,-6.93,;2.67,-7.7,;4,-6.93,;5.33,-7.7,;4,-5.39,;2.67,-4.62,;2.67,-3.08,;1.33,-2.31,;,-3.08,;-1.33,-2.31,;-1.33,-.77,;;1.33,-.77,;2.67,,;4,-.77,;4,-2.31,;5.33,-3.08,;-2.67,,;-3.44,-1.33,;-1.9,1.33,;-4,.77,;-4,2.31,;-5.25,3.22,;-4.77,4.68,;-3.23,4.68,;-2.76,3.22,;2.67,-9.24,;1.33,-10.01,;1.33,-11.55,;,-12.32,;2.67,-12.32,;4,-11.55,;5.33,-12.32,;4,-10.01,)| Show InChI InChI=1S/C25H16ClF2N3O5S/c1-35-23-12-19(15-8-16(26)11-17(27)9-15)20(28)13-22(23)31-21-4-3-18(10-14(21)2-5-25(31)32)37(33,34)30-24-6-7-36-29-24/h2-13H,1H3,(H,29,30) | PDB
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TBA
| Assay Description
Concentration at which the clotting time was prolonged by twice that of the control by inhibiting thrombin |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM362935
(5-Chloro-2-fluoro-4-{[(1S*,2R*)-2-(1-methyl-1H-pyr...)Show SMILES Cn1nccc1[C@H]1CCC[C@@H]1Oc1cc(F)c(cc1Cl)S(=O)(=O)N([Na])c1cscn1 |r| Show InChI InChI=1S/C18H17ClFN4O3S2.Na/c1-24-14(5-6-22-24)11-3-2-4-15(11)27-16-8-13(20)17(7-12(16)19)29(25,26)23-18-9-28-10-21-18;/h5-11,15H,2-4H2,1H3;/q-1;+1/t11-,15+;/m1./s1 | PDB
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DAIICHI SANKYO COMPANY, LIMITED
US Patent
| Assay Description
Current record was obtained by an automated patch clamp system “IonWorks Quattro (Molecular Devices Corporation)” in Population Patch Clamp mode. The... |
US Patent US9845313 (2017)
BindingDB Entry DOI: 10.7270/Q25141H5 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM258109
(US9493448, 11)Show SMILES Cn1nccc1[C@H]1CCC[C@@H]1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1cscn1 |r| Show InChI InChI=1S/C18H18F2N4O3S2/c1-24-14(5-6-22-24)11-3-2-4-15(11)27-16-7-13(20)17(8-12(16)19)29(25,26)23-18-9-28-10-21-18/h5-11,15,23H,2-4H2,1H3/t11-,15+/m1/s1 | PDB
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DAIICHI SANKYO COMPANY, LIMITED
US Patent
| Assay Description
Current record was obtained by an automated patch clamp system IonWorks Quattro (Molecular Devices Corporation) in Population Patch Clamp mode. The o... |
US Patent US9493448 (2016)
BindingDB Entry DOI: 10.7270/Q29022QD |
More data for this
Ligand-Target Pair | |
Cathepsin K
(Homo sapiens (Human)) | BDBM50179559
((S)-2-(biphenyl-3-ylamino)-4-methyl-pentanoic acid...)Show SMILES COc1ccc(NC[C@H](C)NC(=O)[C@H](CC(C)C)Nc2cccc(c2)-c2ccccc2)cc1 Show InChI InChI=1S/C28H35N3O2/c1-20(2)17-27(31-25-12-8-11-23(18-25)22-9-6-5-7-10-22)28(32)30-21(3)19-29-24-13-15-26(33-4)16-14-24/h5-16,18,20-21,27,29,31H,17,19H2,1-4H3,(H,30,32)/t21-,27-/m0/s1 | PDB
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Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibitory activity against recombinant human Cathepsin K |
Bioorg Med Chem Lett 16: 1502-5 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.053
BindingDB Entry DOI: 10.7270/Q2T154FS |
More data for this
Ligand-Target Pair | |
Cathepsin K
(Homo sapiens (Human)) | BDBM50179551
(1-(biphenyl-3-ylamino)-cyclohexanecarboxylic acid ...)Show SMILES COc1ccc(NC[C@H](C)NC(=O)C2(CCCCC2)Nc2cccc(c2)-c2ccccc2)cc1 Show InChI InChI=1S/C29H35N3O2/c1-22(21-30-25-14-16-27(34-2)17-15-25)31-28(33)29(18-7-4-8-19-29)32-26-13-9-12-24(20-26)23-10-5-3-6-11-23/h3,5-6,9-17,20,22,30,32H,4,7-8,18-19,21H2,1-2H3,(H,31,33)/t22-/m0/s1 | PDB
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Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibitory activity against recombinant human Cathepsin K |
Bioorg Med Chem Lett 16: 1502-5 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.053
BindingDB Entry DOI: 10.7270/Q2T154FS |
More data for this
Ligand-Target Pair | |
Cathepsin K
(Homo sapiens (Human)) | BDBM50179538
((S)-2-(biphenyl-3-ylamino)-4-methyl-pentanoic acid...)Show SMILES CC[C@@H](CNc1ccc(OCc2nnn[nH]2)cc1)NC(=O)[C@H](CC(C)C)Nc1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C30H37N7O2/c1-4-24(19-31-25-13-15-27(16-14-25)39-20-29-34-36-37-35-29)33-30(38)28(17-21(2)3)32-26-12-8-11-23(18-26)22-9-6-5-7-10-22/h5-16,18,21,24,28,31-32H,4,17,19-20H2,1-3H3,(H,33,38)(H,34,35,36,37)/t24-,28-/m0/s1 | PDB
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Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibitory activity against recombinant human Cathepsin K |
Bioorg Med Chem Lett 16: 1502-5 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.053
BindingDB Entry DOI: 10.7270/Q2T154FS |
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
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TBA
| |
Citation and Details
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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
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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 protein type 9 subunit alpha
(Homo sapiens (Human)) | 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
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DAIICHI SANKYO COMPANY, LIMITED
US Patent
| Assay Description
Current record was obtained by an automated patch clamp system IonWorks Quattro (Molecular Devices Corporation) in Population Patch Clamp mode. The o... |
US Patent US9493448 (2016)
BindingDB Entry DOI: 10.7270/Q29022QD |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | 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
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DAIICHI SANKYO COMPANY, LIMITED
US Patent
| Assay Description
Current record was obtained by an automated patch clamp system “IonWorks Quattro (Molecular Devices Corporation)” in Population Patch Clamp mode. The... |
US Patent US9845313 (2017)
BindingDB Entry DOI: 10.7270/Q25141H5 |
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
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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) | 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)) | BDBM258219
(US9493448, 126 | US9597330, Example 37 | US9845313...)Show SMILES Cc1cc(c(F)cc1O[C@H]1CCC(F)(F)C[C@@H]1c1ccnn1C)S(=O)(=O)Nc1ccncn1 |r| Show InChI InChI=1S/C21H22F3N5O3S/c1-13-9-19(33(30,31)28-20-5-7-25-12-26-20)15(22)10-18(13)32-17-3-6-21(23,24)11-14(17)16-4-8-27-29(16)2/h4-5,7-10,12,14,17H,3,6,11H2,1-2H3,(H,25,26,28)/t14-,17+/m1/s1 | PDB
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DAIICHI SANKYO COMPANY, LIMITED
US Patent
| Assay Description
Current record was obtained by an automated patch clamp system “IonWorks Quattro (Molecular Devices Corporation)” in Population Patch Clamp mode. The... |
US Patent US9845313 (2017)
BindingDB Entry DOI: 10.7270/Q25141H5 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM258107
(US9493448, 9 | US9845313, Example 9)Show SMILES Cn1nccc1[C@H]1CCCCC[C@@H]1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1ncns1 |r| Show InChI InChI=1S/C19H21F2N5O3S2/c1-26-15(7-8-23-26)12-5-3-2-4-6-16(12)29-17-9-14(21)18(10-13(17)20)31(27,28)25-19-22-11-24-30-19/h7-12,16H,2-6H2,1H3,(H,22,24,25)/t12-,16+/m1/s1 | PDB
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DAIICHI SANKYO COMPANY, LIMITED
US Patent
| Assay Description
Current record was obtained by an automated patch clamp system IonWorks Quattro (Molecular Devices Corporation) in Population Patch Clamp mode. The o... |
US Patent US9493448 (2016)
BindingDB Entry DOI: 10.7270/Q29022QD |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM258219
(US9493448, 126 | US9597330, Example 37 | US9845313...)Show SMILES Cc1cc(c(F)cc1O[C@H]1CCC(F)(F)C[C@@H]1c1ccnn1C)S(=O)(=O)Nc1ccncn1 |r| Show InChI InChI=1S/C21H22F3N5O3S/c1-13-9-19(33(30,31)28-20-5-7-25-12-26-20)15(22)10-18(13)32-17-3-6-21(23,24)11-14(17)16-4-8-27-29(16)2/h4-5,7-10,12,14,17H,3,6,11H2,1-2H3,(H,25,26,28)/t14-,17+/m1/s1 | PDB
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DAIICHI SANKYO COMPANY, LIMITED
US Patent
| Assay Description
Current record was obtained by an automated patch clamp system IonWorks Quattro (Molecular Devices Corporation) in Population Patch Clamp mode. The o... |
US Patent US9493448 (2016)
BindingDB Entry DOI: 10.7270/Q29022QD |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM258219
(US9493448, 126 | US9597330, Example 37 | US9845313...)Show SMILES Cc1cc(c(F)cc1O[C@H]1CCC(F)(F)C[C@@H]1c1ccnn1C)S(=O)(=O)Nc1ccncn1 |r| Show InChI InChI=1S/C21H22F3N5O3S/c1-13-9-19(33(30,31)28-20-5-7-25-12-26-20)15(22)10-18(13)32-17-3-6-21(23,24)11-14(17)16-4-8-27-29(16)2/h4-5,7-10,12,14,17H,3,6,11H2,1-2H3,(H,25,26,28)/t14-,17+/m1/s1 | PDB
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Daiichi Sankyo Company, Limited
US Patent
| Assay Description
Current recording was obtained by an automated patch clamp system IonWorks Quattro (Molecular Devices Corporation) in Population Patch Clamp mode. Th... |
US Patent US9597330 (2017)
BindingDB Entry DOI: 10.7270/Q28054PM |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM258107
(US9493448, 9 | US9845313, Example 9)Show SMILES Cn1nccc1[C@H]1CCCCC[C@@H]1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1ncns1 |r| Show InChI InChI=1S/C19H21F2N5O3S2/c1-26-15(7-8-23-26)12-5-3-2-4-6-16(12)29-17-9-14(21)18(10-13(17)20)31(27,28)25-19-22-11-24-30-19/h7-12,16H,2-6H2,1H3,(H,22,24,25)/t12-,16+/m1/s1 | PDB
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DAIICHI SANKYO COMPANY, LIMITED
US Patent
| Assay Description
Current record was obtained by an automated patch clamp system “IonWorks Quattro (Molecular Devices Corporation)” in Population Patch Clamp mode. The... |
US Patent US9845313 (2017)
BindingDB Entry DOI: 10.7270/Q25141H5 |
More data for this
Ligand-Target Pair | |
Sodium channel subunit beta-2
(Homo sapiens) | BDBM50613342
(CHEMBL5286433) | PDB
MMDB
Reactome pathway
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TBA
| |
Citation and Details
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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
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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 protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50505257
(CHEMBL4471012)Show SMILES C[C@@H](N1CC[C@H](C1)n1nc(C)c2cc(C(=O)NS(=O)(=O)C3CC3)c(F)cc12)c1cc(Cl)cc(Cl)c1 |r| Show InChI InChI=1S/C24H25Cl2FN4O3S/c1-13-20-10-21(24(32)29-35(33,34)19-3-4-19)22(27)11-23(20)31(28-13)18-5-6-30(12-18)14(2)15-7-16(25)9-17(26)8-15/h7-11,14,18-19H,3-6,12H2,1-2H3,(H,29,32)/t14-,18-/m1/s1 | PDB
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TBA
| Assay Description
Concentration at which the clotting time was prolonged by twice that of the control by inhibiting thrombin |
Citation and Details
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More data for this
Ligand-Target Pair | |
Sodium channel subunit beta-2
(Mus musculus) | BDBM50613344
(CHEMBL5284082) | PDB
Reactome pathway
KEGG
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TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Sodium channel subunit beta-2
(Mus musculus) | BDBM50613336
(CHEMBL5276801) | PDB
Reactome pathway
KEGG
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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)) | 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
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| n/a | n/a | 16 | n/a | n/a | n/a | n/a | 7.3 | 37 |
DAIICHI SANKYO COMPANY, LIMITED
US Patent
| Assay Description
Current record was obtained by an automated patch clamp system IonWorks Quattro (Molecular Devices Corporation) in Population Patch Clamp mode. The o... |
US Patent US9493448 (2016)
BindingDB Entry DOI: 10.7270/Q29022QD |
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
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Daiichi Sankyo Company, Limited
US Patent
| Assay Description
Current recording was obtained by an automated patch clamp system IonWorks Quattro (Molecular Devices Corporation) in Population Patch Clamp mode. Th... |
US Patent US9597330 (2017)
BindingDB Entry DOI: 10.7270/Q28054PM |
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
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DAIICHI SANKYO COMPANY, LIMITED
US Patent
| Assay Description
Current record was obtained by an automated patch clamp system “IonWorks Quattro (Molecular Devices Corporation)” in Population Patch Clamp mode. The... |
US Patent US9845313 (2017)
BindingDB Entry DOI: 10.7270/Q25141H5 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Mus musculus) | BDBM217483
(US9212182, 477 | US9212182, 478)Show SMILES COc1cc(c(F)cc1-n1c2ccc(cc2ccc1=O)S(=O)(=O)Nc1ccon1)-c1cc(F)cc(Cl)c1 |(-1.33,-5.39,;,-4.62,;1.33,-5.39,;1.33,-6.93,;2.67,-7.7,;4,-6.93,;5.33,-7.7,;4,-5.39,;2.67,-4.62,;2.67,-3.08,;1.33,-2.31,;,-3.08,;-1.33,-2.31,;-1.33,-.77,;;1.33,-.77,;2.67,,;4,-.77,;4,-2.31,;5.33,-3.08,;-2.67,,;-3.44,-1.33,;-1.9,1.33,;-4,.77,;-4,2.31,;-5.25,3.22,;-4.77,4.68,;-3.23,4.68,;-2.76,3.22,;2.67,-9.24,;1.33,-10.01,;1.33,-11.55,;,-12.32,;2.67,-12.32,;4,-11.55,;5.33,-12.32,;4,-10.01,)| Show InChI InChI=1S/C25H16ClF2N3O5S/c1-35-23-12-19(15-8-16(26)11-17(27)9-15)20(28)13-22(23)31-21-4-3-18(10-14(21)2-5-25(31)32)37(33,34)30-24-6-7-36-29-24/h2-13H,1H3,(H,29,30) | PDB
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TBA
| Assay Description
Concentration at which the clotting time was prolonged by twice that of the control by inhibiting thrombin |
Citation and Details
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More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM258244
(US9493448, 152 | US9597330, Example 52 | US9845313...)Show SMILES Fc1cc(O[C@H]2CC(F)(F)CC[C@@H]2c2cn[nH]c2)c(Cl)cc1S(=O)(=O)Nc1ccncn1 |r| | PDB
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DAIICHI SANKYO COMPANY, LIMITED
US Patent
| Assay Description
Current record was obtained by an automated patch clamp system “IonWorks Quattro (Molecular Devices Corporation)” in Population Patch Clamp mode. The... |
US Patent US9845313 (2017)
BindingDB Entry DOI: 10.7270/Q25141H5 |
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
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DAIICHI SANKYO COMPANY, LIMITED
US Patent
| Assay Description
Current record was obtained by an automated patch clamp system “IonWorks Quattro (Molecular Devices Corporation)” in Population Patch Clamp mode. The... |
US Patent US9845313 (2017)
BindingDB Entry DOI: 10.7270/Q25141H5 |
More data for this
Ligand-Target Pair | |
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