Found 177 hits with Last Name = 'castle' and Initial = 'na' 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 |
Calcium-activated potassium channel subunit beta
(GUINEA PIG) | BDBM86250
(CAS_60559-98-0 | NSC_43345 | P1075)Show InChI InChI=1S/C12H17N5/c1-4-12(2,3)17-11(15-9-13)16-10-6-5-7-14-8-10/h5-8H,4H2,1-3H3,(H2,15,16,17) | Reactome pathway
UniProtKB/TrEMBL
GoogleScholar AffyNet
| Purchase
PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 10.7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by PDSP Ki Database
| |
Br J Pharmacol 143: 81-90 (2004)
Article DOI: 10.1038/sj.bjp.0705908 BindingDB Entry DOI: 10.7270/Q2QR4VQ0 |
More data for this Ligand-Target Pair | |
High affinity choline transporter 1
(Homo sapiens (Human)) | BDBM50451447
(CHEMBL4217988)Show SMILES FC(F)(F)c1cccc(c1)-c1ccc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ncns2)c(c1)-c1ccnc(CNCCC2CCNCC2)c1 Show InChI InChI=1S/C35H32F3N7O3S2/c36-35(37,38)28-3-1-2-24(16-28)25-4-6-33(48-32-7-5-30(18-27(32)20-39)50(46,47)45-34-43-22-44-49-34)31(19-25)26-11-15-42-29(17-26)21-41-14-10-23-8-12-40-13-9-23/h1-7,11,15-19,22-23,40-41H,8-10,12-14,21H2,(H,43,44,45) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| 68 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]hemicholinium-3 from recombinant human choline transporter after 60 mins by scintillation counting method |
Bioorg Med Chem Lett 27: 4805-4811 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.056 BindingDB Entry DOI: 10.7270/Q25Q4ZN1 |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50451447
(CHEMBL4217988)Show SMILES FC(F)(F)c1cccc(c1)-c1ccc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ncns2)c(c1)-c1ccnc(CNCCC2CCNCC2)c1 Show InChI InChI=1S/C35H32F3N7O3S2/c36-35(37,38)28-3-1-2-24(16-28)25-4-6-33(48-32-7-5-30(18-27(32)20-39)50(46,47)45-34-43-22-44-49-34)31(19-25)26-11-15-42-29(17-26)21-41-14-10-23-8-12-40-13-9-23/h1-7,11,15-19,22-23,40-41H,8-10,12-14,21H2,(H,43,44,45) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| 1.09E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]Dofetilide from recombinant human ERG after 60 mins by scintillation counting method |
Bioorg Med Chem Lett 27: 4805-4811 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.056 BindingDB Entry DOI: 10.7270/Q25Q4ZN1 |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50451447
(CHEMBL4217988)Show SMILES FC(F)(F)c1cccc(c1)-c1ccc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ncns2)c(c1)-c1ccnc(CNCCC2CCNCC2)c1 Show InChI InChI=1S/C35H32F3N7O3S2/c36-35(37,38)28-3-1-2-24(16-28)25-4-6-33(48-32-7-5-30(18-27(32)20-39)50(46,47)45-34-43-22-44-49-34)31(19-25)26-11-15-42-29(17-26)21-41-14-10-23-8-12-40-13-9-23/h1-7,11,15-19,22-23,40-41H,8-10,12-14,21H2,(H,43,44,45) | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| 2.12E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]BTCP from recombinant human dopamine transporter after 120 mins by scintillation counting method |
Bioorg Med Chem Lett 27: 4805-4811 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.056 BindingDB Entry DOI: 10.7270/Q25Q4ZN1 |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50451447
(CHEMBL4217988)Show SMILES FC(F)(F)c1cccc(c1)-c1ccc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ncns2)c(c1)-c1ccnc(CNCCC2CCNCC2)c1 Show InChI InChI=1S/C35H32F3N7O3S2/c36-35(37,38)28-3-1-2-24(16-28)25-4-6-33(48-32-7-5-30(18-27(32)20-39)50(46,47)45-34-43-22-44-49-34)31(19-25)26-11-15-42-29(17-26)21-41-14-10-23-8-12-40-13-9-23/h1-7,11,15-19,22-23,40-41H,8-10,12-14,21H2,(H,43,44,45) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| 3.16E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]nisoxetine from recombinant human norepinephrine transporter after 120 min by scintillation counting method |
Bioorg Med Chem Lett 27: 4805-4811 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.056 BindingDB Entry DOI: 10.7270/Q25Q4ZN1 |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50287520
(CHEMBL4159883)Show SMILES COc1ccc(cc1S(=O)(=O)Nc1ccc(Cl)cc1)C(=O)NC(C)c1cnn(C)n1 Show InChI InChI=1S/C19H20ClN5O4S/c1-12(16-11-21-25(2)23-16)22-19(26)13-4-9-17(29-3)18(10-13)30(27,28)24-15-7-5-14(20)6-8-15/h4-12,24H,1-3H3,(H,22,26) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 2.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of fluorescent-labelled dofetilide from human ERG expressed in HEK293 cell membrane homogenates |
ACS Med Chem Lett 9: 125-130 (2018)
Article DOI: 10.1021/acsmedchemlett.7b00481 BindingDB Entry DOI: 10.7270/Q2KH0QVZ |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50287520
(CHEMBL4159883)Show SMILES COc1ccc(cc1S(=O)(=O)Nc1ccc(Cl)cc1)C(=O)NC(C)c1cnn(C)n1 Show InChI InChI=1S/C19H20ClN5O4S/c1-12(16-11-21-25(2)23-16)22-19(26)13-4-9-17(29-3)18(10-13)30(27,28)24-15-7-5-14(20)6-8-15/h4-12,24H,1-3H3,(H,22,26) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| >4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of fluorescent-labelled dofetilide from human ERG expressed in HEK293 cell membrane homogenates |
ACS Med Chem Lett 9: 125-130 (2018)
Article DOI: 10.1021/acsmedchemlett.7b00481 BindingDB Entry DOI: 10.7270/Q2KH0QVZ |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50287558
(CHEMBL1333494)Show SMILES Cc1ccc(NS(=O)(=O)c2cc(ccc2C)C(=O)NCc2cccnc2)cc1 Show InChI InChI=1S/C21H21N3O3S/c1-15-5-9-19(10-6-15)24-28(26,27)20-12-18(8-7-16(20)2)21(25)23-14-17-4-3-11-22-13-17/h3-13,24H,14H2,1-2H3,(H,23,25) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
Similars
| Article PubMed
| >4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of fluorescent-labelled dofetilide from human ERG expressed in HEK293 cell membrane homogenates |
ACS Med Chem Lett 9: 125-130 (2018)
Article DOI: 10.1021/acsmedchemlett.7b00481 BindingDB Entry DOI: 10.7270/Q2KH0QVZ |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50287559
(CHEMBL4170197)Show SMILES Cc1noc(CNC(=O)c2cccc(c2)S(=O)(=O)Nc2ccc(C)cc2)n1 Show InChI InChI=1S/C18H18N4O4S/c1-12-6-8-15(9-7-12)22-27(24,25)16-5-3-4-14(10-16)18(23)19-11-17-20-13(2)21-26-17/h3-10,22H,11H2,1-2H3,(H,19,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| >4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of fluorescent-labelled dofetilide from human ERG expressed in HEK293 cell membrane homogenates |
ACS Med Chem Lett 9: 125-130 (2018)
Article DOI: 10.1021/acsmedchemlett.7b00481 BindingDB Entry DOI: 10.7270/Q2KH0QVZ |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50287552
(CHEMBL4175004)Show SMILES Cc1ccc(cc1S(=O)(=O)Nc1ccc(Cl)cc1)C(=O)NCc1cn(C)nn1 Show InChI InChI=1S/C18H18ClN5O3S/c1-12-3-4-13(18(25)20-10-16-11-24(2)23-21-16)9-17(12)28(26,27)22-15-7-5-14(19)6-8-15/h3-9,11,22H,10H2,1-2H3,(H,20,25) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| >4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of fluorescent-labelled dofetilide from human ERG expressed in HEK293 cell membrane homogenates |
ACS Med Chem Lett 9: 125-130 (2018)
Article DOI: 10.1021/acsmedchemlett.7b00481 BindingDB Entry DOI: 10.7270/Q2KH0QVZ |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50287556
(CHEMBL4161489)Show SMILES Cc1ccc(cc1S(=O)(=O)Nc1ccc(cc1)-c1ccno1)C(=O)NCc1cn(C)nn1 Show InChI InChI=1S/C21H20N6O4S/c1-14-3-4-16(21(28)22-12-18-13-27(2)26-24-18)11-20(14)32(29,30)25-17-7-5-15(6-8-17)19-9-10-23-31-19/h3-11,13,25H,12H2,1-2H3,(H,22,28) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| >4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of fluorescent-labelled dofetilide from human ERG expressed in HEK293 cell membrane homogenates |
ACS Med Chem Lett 9: 125-130 (2018)
Article DOI: 10.1021/acsmedchemlett.7b00481 BindingDB Entry DOI: 10.7270/Q2KH0QVZ |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50287519
(CHEMBL4172084)Show SMILES Cc1noc(CNC(=O)c2ccc(C)c(c2)S(=O)(=O)Nc2ccc(cc2)-c2cnco2)n1 Show InChI InChI=1S/C21H19N5O5S/c1-13-3-4-16(21(27)23-11-20-24-14(2)25-31-20)9-19(13)32(28,29)26-17-7-5-15(6-8-17)18-10-22-12-30-18/h3-10,12,26H,11H2,1-2H3,(H,23,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| >4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of fluorescent-labelled dofetilide from human ERG expressed in HEK293 cell membrane homogenates |
ACS Med Chem Lett 9: 125-130 (2018)
Article DOI: 10.1021/acsmedchemlett.7b00481 BindingDB Entry DOI: 10.7270/Q2KH0QVZ |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50287553
(CHEMBL4166791)Show SMILES Cc1noc(CNC(=O)c2ccc(C)c(c2)S(=O)(=O)Nc2ccc(cc2)-c2ccno2)n1 Show InChI InChI=1S/C21H19N5O5S/c1-13-3-4-16(21(27)22-12-20-24-14(2)25-31-20)11-19(13)32(28,29)26-17-7-5-15(6-8-17)18-9-10-23-30-18/h3-11,26H,12H2,1-2H3,(H,22,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| >4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of fluorescent-labelled dofetilide from human ERG expressed in HEK293 cell membrane homogenates |
ACS Med Chem Lett 9: 125-130 (2018)
Article DOI: 10.1021/acsmedchemlett.7b00481 BindingDB Entry DOI: 10.7270/Q2KH0QVZ |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50287554
(CHEMBL4162926)Show SMILES Cc1noc(CNC(=O)c2ccc(C)c(c2)S(=O)(=O)Nc2ccc(C)cc2)n1 Show InChI InChI=1S/C19H20N4O4S/c1-12-4-8-16(9-5-12)23-28(25,26)17-10-15(7-6-13(17)2)19(24)20-11-18-21-14(3)22-27-18/h4-10,23H,11H2,1-3H3,(H,20,24) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| >4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of fluorescent-labelled dofetilide from human ERG expressed in HEK293 cell membrane homogenates |
ACS Med Chem Lett 9: 125-130 (2018)
Article DOI: 10.1021/acsmedchemlett.7b00481 BindingDB Entry DOI: 10.7270/Q2KH0QVZ |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50287557
(CHEMBL4159568)Show SMILES COc1ccc(cc1S(=O)(=O)Nc1ccc(C)cc1)C(=O)NCc1nc(C)no1 Show InChI InChI=1S/C19H20N4O5S/c1-12-4-7-15(8-5-12)23-29(25,26)17-10-14(6-9-16(17)27-3)19(24)20-11-18-21-13(2)22-28-18/h4-10,23H,11H2,1-3H3,(H,20,24) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| >4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of fluorescent-labelled dofetilide from human ERG expressed in HEK293 cell membrane homogenates |
ACS Med Chem Lett 9: 125-130 (2018)
Article DOI: 10.1021/acsmedchemlett.7b00481 BindingDB Entry DOI: 10.7270/Q2KH0QVZ |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50287555
(CHEMBL4174695)Show SMILES Cc1noc(CNC(=O)c2ccc(C)c(c2)S(=O)(=O)Nc2ccc(Cl)cc2)n1 Show InChI InChI=1S/C18H17ClN4O4S/c1-11-3-4-13(18(24)20-10-17-21-12(2)22-27-17)9-16(11)28(25,26)23-15-7-5-14(19)6-8-15/h3-9,23H,10H2,1-2H3,(H,20,24) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| >4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of fluorescent-labelled dofetilide from human ERG expressed in HEK293 cell membrane homogenates |
ACS Med Chem Lett 9: 125-130 (2018)
Article DOI: 10.1021/acsmedchemlett.7b00481 BindingDB Entry DOI: 10.7270/Q2KH0QVZ |
More data for this Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50451447
(CHEMBL4217988)Show SMILES FC(F)(F)c1cccc(c1)-c1ccc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ncns2)c(c1)-c1ccnc(CNCCC2CCNCC2)c1 Show InChI InChI=1S/C35H32F3N7O3S2/c36-35(37,38)28-3-1-2-24(16-28)25-4-6-33(48-32-7-5-30(18-27(32)20-39)50(46,47)45-34-43-22-44-49-34)31(19-25)26-11-15-42-29(17-26)21-41-14-10-23-8-12-40-13-9-23/h1-7,11,15-19,22-23,40-41H,8-10,12-14,21H2,(H,43,44,45) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.0100 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human Nav1.7 expressed in HEK cells by patch clamp electrophysiology method |
Bioorg Med Chem Lett 27: 4805-4811 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.056 BindingDB Entry DOI: 10.7270/Q25Q4ZN1 |
More data for this Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50451447
(CHEMBL4217988)Show SMILES FC(F)(F)c1cccc(c1)-c1ccc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ncns2)c(c1)-c1ccnc(CNCCC2CCNCC2)c1 Show InChI InChI=1S/C35H32F3N7O3S2/c36-35(37,38)28-3-1-2-24(16-28)25-4-6-33(48-32-7-5-30(18-27(32)20-39)50(46,47)45-34-43-22-44-49-34)31(19-25)26-11-15-42-29(17-26)21-41-14-10-23-8-12-40-13-9-23/h1-7,11,15-19,22-23,40-41H,8-10,12-14,21H2,(H,43,44,45) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.0300 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human Nav1.7 expressed in HEK cells by automated patchXpress electrophysiology method |
Bioorg Med Chem Lett 27: 4805-4811 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.056 BindingDB Entry DOI: 10.7270/Q25Q4ZN1 |
More data for this Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Mus musculus) | BDBM50451447
(CHEMBL4217988)Show SMILES FC(F)(F)c1cccc(c1)-c1ccc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ncns2)c(c1)-c1ccnc(CNCCC2CCNCC2)c1 Show InChI InChI=1S/C35H32F3N7O3S2/c36-35(37,38)28-3-1-2-24(16-28)25-4-6-33(48-32-7-5-30(18-27(32)20-39)50(46,47)45-34-43-22-44-49-34)31(19-25)26-11-15-42-29(17-26)21-41-14-10-23-8-12-40-13-9-23/h1-7,11,15-19,22-23,40-41H,8-10,12-14,21H2,(H,43,44,45) | PDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | <0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of mouse Nav1.7 expressed in HEK cells by patch clamp electrophysiology method |
Bioorg Med Chem Lett 27: 4805-4811 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.056 BindingDB Entry DOI: 10.7270/Q25Q4ZN1 |
More data for this Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50451457
(CHEMBL4210135)Show SMILES FC(F)(F)c1cccc(c1)-c1ccc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ncns2)c(c1)-c1ccnc(CNCCC2CCN(CC2)C(=O)CCc2ccc(cc2)C(=O)c2ccc(OCCC#C)cc2)c1 Show InChI InChI=1S/C55H48F3N7O6S2/c1-2-3-29-70-47-15-12-40(13-16-47)53(67)39-10-7-37(8-11-39)9-20-52(66)65-27-23-38(24-28-65)21-25-60-35-46-31-43(22-26-61-46)49-33-42(41-5-4-6-45(30-41)55(56,57)58)14-18-51(49)71-50-19-17-48(32-44(50)34-59)73(68,69)64-54-62-36-63-72-54/h1,4-8,10-19,22,26,30-33,36,38,60H,3,9,20-21,23-25,27-29,35H2,(H,62,63,64) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human Nav1.7 expressed in HEK cells by patch clamp electrophysiology method |
Bioorg Med Chem Lett 27: 4805-4811 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.056 BindingDB Entry DOI: 10.7270/Q25Q4ZN1 |
More data for this Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50451458
(CHEMBL4205773)Show SMILES NCc1cc(ccn1)-c1cc(ccc1Oc1ccc(cc1C#N)S(=O)(=O)Nc1ncns1)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C28H19F3N6O3S2/c29-28(30,31)21-3-1-2-17(10-21)18-4-6-26(24(13-18)19-8-9-34-22(11-19)15-33)40-25-7-5-23(12-20(25)14-32)42(38,39)37-27-35-16-36-41-27/h1-13,16H,15,33H2,(H,35,36,37) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human Nav1.7 expressed in HEK cells by patch clamp electrophysiology method |
Bioorg Med Chem Lett 27: 4805-4811 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.056 BindingDB Entry DOI: 10.7270/Q25Q4ZN1 |
More data for this Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50451456
(CHEMBL4215058)Show SMILES Cc1cc(C)n2c1C=C1C=CC(CCCCC(=O)NCCOCCOCCC(=O)N3CCC(CCNCc4cc(ccn4)-c4cc(ccc4Oc4ccc(cc4C#N)S(=O)(=O)Nc4ncns4)-c4cccc(c4)C(F)(F)F)CC3)=[N+]1[B-]2(F)F |c:10,85,t:8| Show InChI InChI=1S/C58H62BF5N10O7S2/c1-39-30-40(2)73-52(39)35-49-12-11-48(74(49)59(73,63)64)8-3-4-9-55(75)68-23-27-80-29-28-79-26-20-56(76)72-24-18-41(19-25-72)16-21-66-37-47-32-44(17-22-67-47)51-34-43(42-6-5-7-46(31-42)58(60,61)62)10-14-54(51)81-53-15-13-50(33-45(53)36-65)83(77,78)71-57-69-38-70-82-57/h5-7,10-15,17,22,30-35,38,41,66H,3-4,8-9,16,18-21,23-29,37H2,1-2H3,(H,68,75)(H,69,70,71) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.120 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human Nav1.7 expressed in HEK cells by patch clamp electrophysiology method |
Bioorg Med Chem Lett 27: 4805-4811 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.056 BindingDB Entry DOI: 10.7270/Q25Q4ZN1 |
More data for this Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50451458
(CHEMBL4205773)Show SMILES NCc1cc(ccn1)-c1cc(ccc1Oc1ccc(cc1C#N)S(=O)(=O)Nc1ncns1)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C28H19F3N6O3S2/c29-28(30,31)21-3-1-2-17(10-21)18-4-6-26(24(13-18)19-8-9-34-22(11-19)15-33)40-25-7-5-23(12-20(25)14-32)42(38,39)37-27-35-16-36-41-27/h1-13,16H,15,33H2,(H,35,36,37) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human Nav1.7 expressed in HEK cells by automated patchXpress electrophysiology method |
Bioorg Med Chem Lett 27: 4805-4811 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.056 BindingDB Entry DOI: 10.7270/Q25Q4ZN1 |
More data for this Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50451454
(CHEMBL4207534)Show SMILES Clc1ccc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ncns2)c(c1)-c1cccc(CNCCC2CCNCC2)c1 Show InChI InChI=1S/C29H29ClN6O3S2/c30-24-4-6-28(39-27-7-5-25(15-23(27)17-31)41(37,38)36-29-34-19-35-40-29)26(16-24)22-3-1-2-21(14-22)18-33-13-10-20-8-11-32-12-9-20/h1-7,14-16,19-20,32-33H,8-13,18H2,(H,34,35,36) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human Nav1.7 expressed in HEK cells by automated patchXpress electrophysiology method |
Bioorg Med Chem Lett 27: 4805-4811 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.056 BindingDB Entry DOI: 10.7270/Q25Q4ZN1 |
More data for this Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50451459
(CHEMBL4208664)Show SMILES NCc1cc(ccn1)-c1cc(ccc1Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nncs1)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C27H18ClF4N5O3S2/c28-21-11-25(42(38,39)37-26-36-35-14-41-26)22(29)12-24(21)40-23-5-4-16(15-2-1-3-18(8-15)27(30,31)32)10-20(23)17-6-7-34-19(9-17)13-33/h1-12,14H,13,33H2,(H,36,37) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human Nav1.7 expressed in HEK cells by automated patchXpress electrophysiology method |
Bioorg Med Chem Lett 27: 4805-4811 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.056 BindingDB Entry DOI: 10.7270/Q25Q4ZN1 |
More data for this Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50451453
(CHEMBL2325603)Show SMILES Clc1ccc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ncns2)c(c1)-c1cccc(CN2CCC2)c1 Show InChI InChI=1S/C25H20ClN5O3S2/c26-20-5-7-24(22(13-20)18-4-1-3-17(11-18)15-31-9-2-10-31)34-23-8-6-21(12-19(23)14-27)36(32,33)30-25-28-16-29-35-25/h1,3-8,11-13,16H,2,9-10,15H2,(H,28,29,30) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human Nav1.7 expressed in HEK cells by automated patchXpress electrophysiology method |
Bioorg Med Chem Lett 27: 4805-4811 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.056 BindingDB Entry DOI: 10.7270/Q25Q4ZN1 |
More data for this Ligand-Target Pair | |
Sodium channel protein type 2 subunit alpha
(Homo sapiens (Human)) | BDBM50451447
(CHEMBL4217988)Show SMILES FC(F)(F)c1cccc(c1)-c1ccc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ncns2)c(c1)-c1ccnc(CNCCC2CCNCC2)c1 Show InChI InChI=1S/C35H32F3N7O3S2/c36-35(37,38)28-3-1-2-24(16-28)25-4-6-33(48-32-7-5-30(18-27(32)20-39)50(46,47)45-34-43-22-44-49-34)31(19-25)26-11-15-42-29(17-26)21-41-14-10-23-8-12-40-13-9-23/h1-7,11,15-19,22-23,40-41H,8-10,12-14,21H2,(H,43,44,45) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human Nav1.2 expressed in HEK cells by patch clamp electrophysiology method |
Bioorg Med Chem Lett 27: 4805-4811 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.056 BindingDB Entry DOI: 10.7270/Q25Q4ZN1 |
More data for this Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50451448
(CHEMBL4213464)Show SMILES CC(=O)N1CCC(CCNCc2cc(ccn2)-c2cc(ccc2Oc2ccc(cc2C#N)S(=O)(=O)Nc2ncns2)-c2cccc(c2)C(F)(F)F)CC1 Show InChI InChI=1S/C37H34F3N7O4S2/c1-24(48)47-15-11-25(12-16-47)9-13-42-22-31-18-28(10-14-43-31)33-20-27(26-3-2-4-30(17-26)37(38,39)40)5-7-35(33)51-34-8-6-32(19-29(34)21-41)53(49,50)46-36-44-23-45-52-36/h2-8,10,14,17-20,23,25,42H,9,11-13,15-16,22H2,1H3,(H,44,45,46) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | <4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human Nav1.7 expressed in HEK cells by automated patchXpress electrophysiology method |
Bioorg Med Chem Lett 27: 4805-4811 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.056 BindingDB Entry DOI: 10.7270/Q25Q4ZN1 |
More data for this Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50451460
(CHEMBL4215917)Show SMILES Fc1cc(Oc2ccc(Cl)cc2-c2ccnc(CN3CCC3)c2)c(Cl)cc1S(=O)(=O)Nc1nncs1 Show InChI InChI=1S/C23H18Cl2FN5O3S2/c24-15-2-3-20(17(9-15)14-4-5-27-16(8-14)12-31-6-1-7-31)34-21-11-19(26)22(10-18(21)25)36(32,33)30-23-29-28-13-35-23/h2-5,8-11,13H,1,6-7,12H2,(H,29,30) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 4.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human Nav1.7 expressed in HEK cells by automated patchXpress electrophysiology method |
Bioorg Med Chem Lett 27: 4805-4811 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.056 BindingDB Entry DOI: 10.7270/Q25Q4ZN1 |
More data for this Ligand-Target Pair | |
Sodium channel protein type 8 subunit alpha
(Rattus norvegicus) | BDBM50451447
(CHEMBL4217988)Show SMILES FC(F)(F)c1cccc(c1)-c1ccc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ncns2)c(c1)-c1ccnc(CNCCC2CCNCC2)c1 Show InChI InChI=1S/C35H32F3N7O3S2/c36-35(37,38)28-3-1-2-24(16-28)25-4-6-33(48-32-7-5-30(18-27(32)20-39)50(46,47)45-34-43-22-44-49-34)31(19-25)26-11-15-42-29(17-26)21-41-14-10-23-8-12-40-13-9-23/h1-7,11,15-19,22-23,40-41H,8-10,12-14,21H2,(H,43,44,45) | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of rat Nav1.6 expressed in HEK cells by patch clamp electrophysiology method |
Bioorg Med Chem Lett 27: 4805-4811 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.056 BindingDB Entry DOI: 10.7270/Q25Q4ZN1 |
More data for this Ligand-Target Pair | |
Sodium channel protein type 8 subunit alpha
(Homo sapiens (Human)) | BDBM50451447
(CHEMBL4217988)Show SMILES FC(F)(F)c1cccc(c1)-c1ccc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ncns2)c(c1)-c1ccnc(CNCCC2CCNCC2)c1 Show InChI InChI=1S/C35H32F3N7O3S2/c36-35(37,38)28-3-1-2-24(16-28)25-4-6-33(48-32-7-5-30(18-27(32)20-39)50(46,47)45-34-43-22-44-49-34)31(19-25)26-11-15-42-29(17-26)21-41-14-10-23-8-12-40-13-9-23/h1-7,11,15-19,22-23,40-41H,8-10,12-14,21H2,(H,43,44,45) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 5.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human Nav1.6 expressed in HEK cells by patch clamp electrophysiology method |
Bioorg Med Chem Lett 27: 4805-4811 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.056 BindingDB Entry DOI: 10.7270/Q25Q4ZN1 |
More data for this Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50451455
(CHEMBL2325325)Show SMILES NCc1cccc(c1)-c1cc(Cl)ccc1Oc1ccc(cc1C#N)S(=O)(=O)Nc1ncns1 Show InChI InChI=1S/C22H16ClN5O3S2/c23-17-4-6-21(19(10-17)15-3-1-2-14(8-15)11-24)31-20-7-5-18(9-16(20)12-25)33(29,30)28-22-26-13-27-32-22/h1-10,13H,11,24H2,(H,26,27,28) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 8.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human Nav1.7 expressed in HEK cells by automated patchXpress electrophysiology method |
Bioorg Med Chem Lett 27: 4805-4811 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.056 BindingDB Entry DOI: 10.7270/Q25Q4ZN1 |
More data for this Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50451452
(CHEMBL2321912)Show SMILES Fc1cc(Oc2ccc(Cl)cc2-c2cccc(CN3CCC3)c2)c(Cl)cc1S(=O)(=O)Nc1nncs1 Show InChI InChI=1S/C24H19Cl2FN4O3S2/c25-17-5-6-21(18(10-17)16-4-1-3-15(9-16)13-31-7-2-8-31)34-22-12-20(27)23(11-19(22)26)36(32,33)30-24-29-28-14-35-24/h1,3-6,9-12,14H,2,7-8,13H2,(H,29,30) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 8.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human Nav1.7 expressed in HEK cells by automated patchXpress electrophysiology method |
Bioorg Med Chem Lett 27: 4805-4811 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.056 BindingDB Entry DOI: 10.7270/Q25Q4ZN1 |
More data for this Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50451450
(CHEMBL4208535)Show SMILES COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)N1CCC(CCNCc2cc(ccn2)-c2cc(ccc2Oc2ccc(cc2C#N)S(=O)(=O)Nc2ncns2)-c2cccc(c2)C(F)(F)F)CC1 Show InChI InChI=1S/C61H82F3N7O16S2/c1-75-19-20-77-23-24-79-27-28-81-31-32-83-35-36-85-39-40-86-38-37-84-34-33-82-30-29-80-26-25-78-22-21-76-18-13-59(72)71-16-11-48(12-17-71)9-14-66-46-54-42-51(10-15-67-54)56-44-50(49-3-2-4-53(41-49)61(62,63)64)5-7-58(56)87-57-8-6-55(43-52(57)45-65)89(73,74)70-60-68-47-69-88-60/h2-8,10,15,41-44,47-48,66H,9,11-14,16-40,46H2,1H3,(H,68,69,70) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human Nav1.7 expressed in HEK cells by automated patchXpress electrophysiology method |
Bioorg Med Chem Lett 27: 4805-4811 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.056 BindingDB Entry DOI: 10.7270/Q25Q4ZN1 |
More data for this Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | 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
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
| PDB Article PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of recombinant human Nav1.7 expressed in HEK293 cells by voltage clamp electrophysiology method |
Bioorg Med Chem Lett 27: 4805-4811 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.056 BindingDB Entry DOI: 10.7270/Q25Q4ZN1 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50451449
(CHEMBL4213602)Show SMILES Fc1cc(Oc2ccc(Cl)cc2-c2ccnc(CN3CCC3)c2)c(Cl)cc1S(=O)(=O)Nc1cscn1 Show InChI InChI=1S/C24H19Cl2FN4O3S2/c25-16-2-3-21(18(9-16)15-4-5-28-17(8-15)12-31-6-1-7-31)34-22-11-20(27)23(10-19(22)26)36(32,33)30-24-13-35-14-29-24/h2-5,8-11,13-14,30H,1,6-7,12H2 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human Nav1.7 expressed in HEK cells by automated patchXpress electrophysiology method |
Bioorg Med Chem Lett 27: 4805-4811 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.056 BindingDB Entry DOI: 10.7270/Q25Q4ZN1 |
More data for this Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Homo sapiens (Human)) | BDBM50287519
(CHEMBL4172084)Show SMILES Cc1noc(CNC(=O)c2ccc(C)c(c2)S(=O)(=O)Nc2ccc(cc2)-c2cnco2)n1 Show InChI InChI=1S/C21H19N5O5S/c1-13-3-4-16(21(27)23-11-20-24-14(2)25-31-20)9-19(13)32(28,29)26-17-7-5-15(6-8-17)18-10-22-12-30-18/h3-10,12,26H,11H2,1-2H3,(H,23,27) | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human ROMK2 expressed in HEK293 cells after 20 mins by Thallos-AM dye based fluorescence assay |
ACS Med Chem Lett 9: 125-130 (2018)
Article DOI: 10.1021/acsmedchemlett.7b00481 BindingDB Entry DOI: 10.7270/Q2KH0QVZ |
More data for this Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Homo sapiens (Human)) | BDBM50287519
(CHEMBL4172084)Show SMILES Cc1noc(CNC(=O)c2ccc(C)c(c2)S(=O)(=O)Nc2ccc(cc2)-c2cnco2)n1 Show InChI InChI=1S/C21H19N5O5S/c1-13-3-4-16(21(27)23-11-20-24-14(2)25-31-20)9-19(13)32(28,29)26-17-7-5-15(6-8-17)18-10-22-12-30-18/h3-10,12,26H,11H2,1-2H3,(H,23,27) | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human ROMK2 expressed in HEK293 cells after 20 mins by Thallos-AM dye based fluorescence assay |
ACS Med Chem Lett 9: 125-130 (2018)
Article DOI: 10.1021/acsmedchemlett.7b00481 BindingDB Entry DOI: 10.7270/Q2KH0QVZ |
More data for this Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Homo sapiens (Human)) | BDBM50287520
(CHEMBL4159883)Show SMILES COc1ccc(cc1S(=O)(=O)Nc1ccc(Cl)cc1)C(=O)NC(C)c1cnn(C)n1 Show InChI InChI=1S/C19H20ClN5O4S/c1-12(16-11-21-25(2)23-16)22-19(26)13-4-9-17(29-3)18(10-13)30(27,28)24-15-7-5-14(20)6-8-15/h4-12,24H,1-3H3,(H,22,26) | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 61 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human ROMK1 expressed in HEK293 cells at -75 mV holding potential by whole cell patch clamp method |
ACS Med Chem Lett 9: 125-130 (2018)
Article DOI: 10.1021/acsmedchemlett.7b00481 BindingDB Entry DOI: 10.7270/Q2KH0QVZ |
More data for this Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Homo sapiens (Human)) | BDBM50287555
(CHEMBL4174695)Show SMILES Cc1noc(CNC(=O)c2ccc(C)c(c2)S(=O)(=O)Nc2ccc(Cl)cc2)n1 Show InChI InChI=1S/C18H17ClN4O4S/c1-11-3-4-13(18(24)20-10-17-21-12(2)22-27-17)9-16(11)28(25,26)23-15-7-5-14(19)6-8-15/h3-9,23H,10H2,1-2H3,(H,20,24) | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 62 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human ROMK1 expressed in HEK293 cells at -75 mV holding potential by whole cell patch clamp method |
ACS Med Chem Lett 9: 125-130 (2018)
Article DOI: 10.1021/acsmedchemlett.7b00481 BindingDB Entry DOI: 10.7270/Q2KH0QVZ |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily A member 5
(Homo sapiens (Human)) | BDBM50258540
(CHEMBL468514 | N-((7R,8R)-7-hydroxy-8-(4-pentylphe...)Show SMILES CCCCCc1ccc(cc1)S(=O)(=O)N[C@H]1[C@H](O)CCc2ccc(NC(=O)c3cccc(OC)c3)cc12 |r| Show InChI InChI=1S/C29H34N2O5S/c1-3-4-5-7-20-10-15-25(16-11-20)37(34,35)31-28-26-19-23(14-12-21(26)13-17-27(28)32)30-29(33)22-8-6-9-24(18-22)36-2/h6,8-12,14-16,18-19,27-28,31-32H,3-5,7,13,17H2,1-2H3,(H,30,33)/t27-,28-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Icagen Inc
Curated by ChEMBL
| Assay Description Inhibition of human Kv1.5 channel expressed in mouse L929 cells by patch-clamp electrophysiology method |
Bioorg Med Chem Lett 19: 3063-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.002 BindingDB Entry DOI: 10.7270/Q2ZS2WD4 |
More data for this Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Rattus norvegicus) | BDBM50451447
(CHEMBL4217988)Show SMILES FC(F)(F)c1cccc(c1)-c1ccc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ncns2)c(c1)-c1ccnc(CNCCC2CCNCC2)c1 Show InChI InChI=1S/C35H32F3N7O3S2/c36-35(37,38)28-3-1-2-24(16-28)25-4-6-33(48-32-7-5-30(18-27(32)20-39)50(46,47)45-34-43-22-44-49-34)31(19-25)26-11-15-42-29(17-26)21-41-14-10-23-8-12-40-13-9-23/h1-7,11,15-19,22-23,40-41H,8-10,12-14,21H2,(H,43,44,45) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 75 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of rat Nav1.7 expressed in HEK cells by patch clamp electrophysiology method |
Bioorg Med Chem Lett 27: 4805-4811 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.056 BindingDB Entry DOI: 10.7270/Q25Q4ZN1 |
More data for this Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Homo sapiens (Human)) | BDBM50287555
(CHEMBL4174695)Show SMILES Cc1noc(CNC(=O)c2ccc(C)c(c2)S(=O)(=O)Nc2ccc(Cl)cc2)n1 Show InChI InChI=1S/C18H17ClN4O4S/c1-11-3-4-13(18(24)20-10-17-21-12(2)22-27-17)9-16(11)28(25,26)23-15-7-5-14(19)6-8-15/h3-9,23H,10H2,1-2H3,(H,20,24) | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 85 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human ROMK2 expressed in HEK293 cells after 20 mins by Thallos-AM dye based fluorescence assay |
ACS Med Chem Lett 9: 125-130 (2018)
Article DOI: 10.1021/acsmedchemlett.7b00481 BindingDB Entry DOI: 10.7270/Q2KH0QVZ |
More data for this Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Homo sapiens (Human)) | BDBM50287555
(CHEMBL4174695)Show SMILES Cc1noc(CNC(=O)c2ccc(C)c(c2)S(=O)(=O)Nc2ccc(Cl)cc2)n1 Show InChI InChI=1S/C18H17ClN4O4S/c1-11-3-4-13(18(24)20-10-17-21-12(2)22-27-17)9-16(11)28(25,26)23-15-7-5-14(19)6-8-15/h3-9,23H,10H2,1-2H3,(H,20,24) | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 85 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human ROMK2 expressed in HEK293 cells after 20 mins by Thallos-AM dye based fluorescence assay |
ACS Med Chem Lett 9: 125-130 (2018)
Article DOI: 10.1021/acsmedchemlett.7b00481 BindingDB Entry DOI: 10.7270/Q2KH0QVZ |
More data for this Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Homo sapiens (Human)) | BDBM50287552
(CHEMBL4175004)Show SMILES Cc1ccc(cc1S(=O)(=O)Nc1ccc(Cl)cc1)C(=O)NCc1cn(C)nn1 Show InChI InChI=1S/C18H18ClN5O3S/c1-12-3-4-13(18(25)20-10-16-11-24(2)23-21-16)9-17(12)28(26,27)22-15-7-5-14(19)6-8-15/h3-9,11,22H,10H2,1-2H3,(H,20,25) | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 86 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human ROMK2 expressed in HEK293 cells after 20 mins by Thallos-AM dye based fluorescence assay |
ACS Med Chem Lett 9: 125-130 (2018)
Article DOI: 10.1021/acsmedchemlett.7b00481 BindingDB Entry DOI: 10.7270/Q2KH0QVZ |
More data for this Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Homo sapiens (Human)) | BDBM50287552
(CHEMBL4175004)Show SMILES Cc1ccc(cc1S(=O)(=O)Nc1ccc(Cl)cc1)C(=O)NCc1cn(C)nn1 Show InChI InChI=1S/C18H18ClN5O3S/c1-12-3-4-13(18(25)20-10-16-11-24(2)23-21-16)9-17(12)28(26,27)22-15-7-5-14(19)6-8-15/h3-9,11,22H,10H2,1-2H3,(H,20,25) | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 86 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human ROMK2 expressed in HEK293 cells after 20 mins by Thallos-AM dye based fluorescence assay |
ACS Med Chem Lett 9: 125-130 (2018)
Article DOI: 10.1021/acsmedchemlett.7b00481 BindingDB Entry DOI: 10.7270/Q2KH0QVZ |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily A member 5
(Homo sapiens (Human)) | BDBM50258501
(CHEMBL466838 | N-((7R,8R)-7-hydroxy-8-(4-propylphe...)Show SMILES CCCc1ccc(cc1)S(=O)(=O)N[C@H]1[C@H](O)CCc2ccc(NC(=O)c3cccc(OC)c3)cc12 |r| Show InChI InChI=1S/C27H30N2O5S/c1-3-5-18-8-13-23(14-9-18)35(32,33)29-26-24-17-21(12-10-19(24)11-15-25(26)30)28-27(31)20-6-4-7-22(16-20)34-2/h4,6-10,12-14,16-17,25-26,29-30H,3,5,11,15H2,1-2H3,(H,28,31)/t25-,26-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
Icagen Inc
Curated by ChEMBL
| Assay Description Inhibition of human Kv1.5 channel expressed in mouse L929 cells by patch-clamp electrophysiology method |
Bioorg Med Chem Lett 19: 3063-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.002 BindingDB Entry DOI: 10.7270/Q2ZS2WD4 |
More data for this Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Homo sapiens (Human)) | BDBM50287553
(CHEMBL4166791)Show SMILES Cc1noc(CNC(=O)c2ccc(C)c(c2)S(=O)(=O)Nc2ccc(cc2)-c2ccno2)n1 Show InChI InChI=1S/C21H19N5O5S/c1-13-3-4-16(21(27)22-12-20-24-14(2)25-31-20)11-19(13)32(28,29)26-17-7-5-15(6-8-17)18-9-10-23-30-18/h3-11,26H,12H2,1-2H3,(H,22,27) | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human ROMK2 expressed in HEK293 cells after 20 mins by Thallos-AM dye based fluorescence assay |
ACS Med Chem Lett 9: 125-130 (2018)
Article DOI: 10.1021/acsmedchemlett.7b00481 BindingDB Entry DOI: 10.7270/Q2KH0QVZ |
More data for this Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Homo sapiens (Human)) | BDBM50287556
(CHEMBL4161489)Show SMILES Cc1ccc(cc1S(=O)(=O)Nc1ccc(cc1)-c1ccno1)C(=O)NCc1cn(C)nn1 Show InChI InChI=1S/C21H20N6O4S/c1-14-3-4-16(21(28)22-12-18-13-27(2)26-24-18)11-20(14)32(29,30)25-17-7-5-15(6-8-17)19-9-10-23-31-19/h3-11,13,25H,12H2,1-2H3,(H,22,28) | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 104 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human ROMK1 expressed in HEK293 cells at -75 mV holding potential by whole cell patch clamp method |
ACS Med Chem Lett 9: 125-130 (2018)
Article DOI: 10.1021/acsmedchemlett.7b00481 BindingDB Entry DOI: 10.7270/Q2KH0QVZ |
More data for this Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Homo sapiens (Human)) | BDBM50287553
(CHEMBL4166791)Show SMILES Cc1noc(CNC(=O)c2ccc(C)c(c2)S(=O)(=O)Nc2ccc(cc2)-c2ccno2)n1 Show InChI InChI=1S/C21H19N5O5S/c1-13-3-4-16(21(27)22-12-20-24-14(2)25-31-20)11-19(13)32(28,29)26-17-7-5-15(6-8-17)18-9-10-23-30-18/h3-11,26H,12H2,1-2H3,(H,22,27) | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human ROMK2 expressed in HEK293 cells after 20 mins by Thallos-AM dye based fluorescence assay |
ACS Med Chem Lett 9: 125-130 (2018)
Article DOI: 10.1021/acsmedchemlett.7b00481 BindingDB Entry DOI: 10.7270/Q2KH0QVZ |
More data for this Ligand-Target Pair | |