Found 792 hits with Last Name = 'johnson' and Initial = 'ms' 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 |
|---|
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) | 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
UniProtKB/TrEMBL
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
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| 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) | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
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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 | |
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
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DrugBank
antibodypedia
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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
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DrugBank
antibodypedia
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AffyNet
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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
(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
(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)) | 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 10 subunit alpha
(Homo sapiens (Human)) | BDBM50330935
(CHEMBL1277958 | N-(m-Tolyl)-6-(4-ethoxyphenyl)-pyr...)Show InChI InChI=1S/C20H19N3O2/c1-3-25-17-9-7-15(8-10-17)18-12-21-13-19(23-18)20(24)22-16-6-4-5-14(2)11-16/h4-13H,3H2,1-2H3,(H,22,24) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant NaV1.8 expressed in HEK293 cells by conventional voltageclamp electrophysiology assay |
Bioorg Med Chem 18: 7816-25 (2010)
Article DOI: 10.1016/j.bmc.2010.09.057
BindingDB Entry DOI: 10.7270/Q24B31KG |
More data for this
Ligand-Target Pair | |
L-lactate dehydrogenase A chain
(Homo sapiens (Human)) | BDBM50546980
(CHEMBL4792513)Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(c2)C#CC(F)C2CCOC2)-c2nc(cs2)C(O)=O)cc1F | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00916
BindingDB Entry DOI: 10.7270/Q2057KJ6 |
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 10 subunit alpha
(Homo sapiens (Human)) | BDBM50329211
(5-(4-chlorophenyl)-N-(2-methylbenzyl)nicotinamide ...)Show InChI InChI=1S/C20H17ClN2O/c1-14-4-2-3-5-16(14)13-23-20(24)18-10-17(11-22-12-18)15-6-8-19(21)9-7-15/h2-12H,13H2,1H3,(H,23,24) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human NaV1.8 by electrophysiology |
Bioorg Med Chem Lett 20: 6812-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.121
BindingDB Entry DOI: 10.7270/Q2F76CS6 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 10 subunit alpha
(Homo sapiens (Human)) | BDBM50329223
(CHEMBL1270797 | N-(3,5-dimethylphenyl)-5-(4-(trifl...)Show SMILES Cc1cc(C)cc(NC(=O)c2ccc(o2)-c2ccc(OC(F)(F)F)cc2)c1 Show InChI InChI=1S/C20H16F3NO3/c1-12-9-13(2)11-15(10-12)24-19(25)18-8-7-17(26-18)14-3-5-16(6-4-14)27-20(21,22)23/h3-11H,1-2H3,(H,24,25) | PDB
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Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human NaV1.8 by electrophysiology |
Bioorg Med Chem Lett 20: 6812-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.121
BindingDB Entry DOI: 10.7270/Q2F76CS6 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 10 subunit alpha
(Homo sapiens (Human)) | BDBM50330948
(CHEMBL1277959 | N-(2-Methylbenzyl)-6-(4-ethoxyphen...)Show InChI InChI=1S/C21H21N3O2/c1-3-26-18-10-8-16(9-11-18)19-13-22-14-20(24-19)21(25)23-12-17-7-5-4-6-15(17)2/h4-11,13-14H,3,12H2,1-2H3,(H,23,25) | PDB
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Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant NaV1.8 expressed in HEK293 cells by conventional voltageclamp electrophysiology assay |
Bioorg Med Chem 18: 7816-25 (2010)
Article DOI: 10.1016/j.bmc.2010.09.057
BindingDB Entry DOI: 10.7270/Q24B31KG |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50257167
(CHEMBL2325619)Show SMILES Cc1[nH]ncc1-c1cc(ccc1Oc1ccc(cc1C#N)S(=O)(=O)Nc1ncns1)C(F)(F)F Show InChI InChI=1S/C20H13F3N6O3S2/c1-11-16(9-26-28-11)15-7-13(20(21,22)23)2-4-18(15)32-17-5-3-14(6-12(17)8-24)34(30,31)29-19-25-10-27-33-19/h2-7,9-10H,1H3,(H,26,28)(H,25,27,29) | PDB
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Icagen Inc. , 4222 Emperor Blvd no. 350, Durham, North Carolina 27703, United States.
Curated by ChEMBL
| Assay Description
Inhibition of human NaV1.7 expressed in HEK cells assessed as half inactivation potential at -120 mV holding potential by automated patch clamp metho... |
J Med Chem 60: 7029-7042 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00598
BindingDB Entry DOI: 10.7270/Q21G0PQF |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 10 subunit alpha
(Homo sapiens (Human)) | BDBM50330949
(CHEMBL1277877 | N-(3,5-Dimethylphenyl)-6-(4-ethoxy...)Show SMILES CCOc1ccc(cc1)-c1cncc(n1)C(=O)Nc1cc(C)cc(C)c1 Show InChI InChI=1S/C21H21N3O2/c1-4-26-18-7-5-16(6-8-18)19-12-22-13-20(24-19)21(25)23-17-10-14(2)9-15(3)11-17/h5-13H,4H2,1-3H3,(H,23,25) | PDB
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Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant NaV1.8 expressed in HEK293 cells by conventional voltageclamp electrophysiology assay |
Bioorg Med Chem 18: 7816-25 (2010)
Article DOI: 10.1016/j.bmc.2010.09.057
BindingDB Entry DOI: 10.7270/Q24B31KG |
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
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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 10 subunit alpha
(Homo sapiens (Human)) | BDBM50329203
(5-(4-chlorophenyl)-N-((2-(2,2,2-trifluoroethoxy)py...)Show SMILES FC(F)(F)COc1ncccc1CNC(=O)c1cncc(c1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C20H15ClF3N3O2/c21-17-5-3-13(4-6-17)15-8-16(10-25-9-15)18(28)27-11-14-2-1-7-26-19(14)29-12-20(22,23)24/h1-10H,11-12H2,(H,27,28) | PDB
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Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human NaV1.8 by electrophysiology |
Bioorg Med Chem Lett 20: 6812-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.121
BindingDB Entry DOI: 10.7270/Q2F76CS6 |
More data for this
Ligand-Target Pair | |
L-lactate dehydrogenase A chain
(Homo sapiens (Human)) | BDBM50546969
(CHEMBL4786682 | US11247971, Cmpd ID 409)Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(c2)C#CCCO)-c2nc(cs2)C(O)=O)cc1F | PDB
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TBA
| Assay Description
Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00916
BindingDB Entry DOI: 10.7270/Q2057KJ6 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 10 subunit alpha
(Homo sapiens (Human)) | BDBM50330933
(CHEMBL1277514 | N-(3,5-Dimethylphenyl)-6-(4-chloro...)Show SMILES Cc1cc(C)cc(NC(=O)c2cncc(n2)-c2ccc(Cl)cc2)c1 Show InChI InChI=1S/C19H16ClN3O/c1-12-7-13(2)9-16(8-12)22-19(24)18-11-21-10-17(23-18)14-3-5-15(20)6-4-14/h3-11H,1-2H3,(H,22,24) | PDB
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Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant NaV1.8 expressed in HEK293 cells by conventional voltageclamp electrophysiology assay |
Bioorg Med Chem 18: 7816-25 (2010)
Article DOI: 10.1016/j.bmc.2010.09.057
BindingDB Entry DOI: 10.7270/Q24B31KG |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | 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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Icagen Inc. , 4222 Emperor Blvd no. 350, Durham, North Carolina 27703, United States.
Curated by ChEMBL
| Assay Description
Inhibition of human NaV1.7 expressed in HEK cells assessed as half inactivation potential at -120 mV holding potential by automated patch clamp metho... |
J Med Chem 60: 7029-7042 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00598
BindingDB Entry DOI: 10.7270/Q21G0PQF |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 10 subunit alpha
(Homo sapiens (Human)) | BDBM50329210
(CHEMBL1269883 | N-(2-chlorobenzyl)-5-(4-chlorophen...)Show InChI InChI=1S/C19H14Cl2N2O/c20-17-7-5-13(6-8-17)15-9-16(11-22-10-15)19(24)23-12-14-3-1-2-4-18(14)21/h1-11H,12H2,(H,23,24) | PDB
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Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human NaV1.8 by electrophysiology |
Bioorg Med Chem Lett 20: 6812-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.121
BindingDB Entry DOI: 10.7270/Q2F76CS6 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50257166
(CHEMBL2325330)Show SMILES Clc1ccc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ncns2)c(c1)-c1cn[nH]c1 Show InChI InChI=1S/C18H11ClN6O3S2/c19-13-1-3-17(15(6-13)12-8-22-23-9-12)28-16-4-2-14(5-11(16)7-20)30(26,27)25-18-21-10-24-29-18/h1-6,8-10H,(H,22,23)(H,21,24,25) | PDB
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Icagen Inc. , 4222 Emperor Blvd no. 350, Durham, North Carolina 27703, United States.
Curated by ChEMBL
| Assay Description
Inhibition of human NaV1.7 expressed in HEK cells assessed as half inactivation potential at -120 mV holding potential by automated patch clamp metho... |
J Med Chem 60: 7029-7042 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00598
BindingDB Entry DOI: 10.7270/Q21G0PQF |
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
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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
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| 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 9 subunit alpha
(Homo sapiens (Human)) | BDBM50257216
(CHEMBL2325350)Show SMILES Cn1nccc1-c1cc(Cl)ccc1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1ncns1 Show InChI InChI=1S/C18H12ClF2N5O3S2/c1-26-14(4-5-23-26)11-6-10(19)2-3-15(11)29-16-7-13(21)17(8-12(16)20)31(27,28)25-18-22-9-24-30-18/h2-9H,1H3,(H,22,24,25) | PDB
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Icagen Inc. , 4222 Emperor Blvd no. 350, Durham, North Carolina 27703, United States.
Curated by ChEMBL
| Assay Description
Inhibition of human NaV1.7 expressed in HEK cells assessed as half inactivation potential at -120 mV holding potential by automated patch clamp metho... |
J Med Chem 60: 7029-7042 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00598
BindingDB Entry DOI: 10.7270/Q21G0PQF |
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
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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 | |
L-lactate dehydrogenase A chain
(Homo sapiens (Human)) | BDBM50546981
(CHEMBL4797357)Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(c2)C#CC(O)C2CCOC2)-c2nc(cs2)C(O)=O)cc1F | PDB
MMDB
Reactome pathway
KEGG
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| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00916
BindingDB Entry DOI: 10.7270/Q2057KJ6 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 10 subunit alpha
(Homo sapiens (Human)) | BDBM50330945
(CHEMBL1278223 | N-(m-Tolyl)-6-(4-trifluoromethoxyp...)Show SMILES Cc1cccc(NC(=O)c2cncc(n2)-c2ccc(OC(F)(F)F)cc2)c1 Show InChI InChI=1S/C19H14F3N3O2/c1-12-3-2-4-14(9-12)24-18(26)17-11-23-10-16(25-17)13-5-7-15(8-6-13)27-19(20,21)22/h2-11H,1H3,(H,24,26) | PDB
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| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant NaV1.8 expressed in HEK293 cells by conventional voltageclamp electrophysiology assay |
Bioorg Med Chem 18: 7816-25 (2010)
Article DOI: 10.1016/j.bmc.2010.09.057
BindingDB Entry DOI: 10.7270/Q24B31KG |
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
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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 10 subunit alpha
(Homo sapiens (Human)) | BDBM50330941
(CHEMBL1277512 | N-(3,5-Dimethoxyphenyl)-6-(4-chlor...)Show SMILES COc1cc(NC(=O)c2cncc(n2)-c2ccc(Cl)cc2)cc(OC)c1 Show InChI InChI=1S/C19H16ClN3O3/c1-25-15-7-14(8-16(9-15)26-2)22-19(24)18-11-21-10-17(23-18)12-3-5-13(20)6-4-12/h3-11H,1-2H3,(H,22,24) | PDB
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| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant NaV1.8 expressed in HEK293 cells by conventional voltageclamp electrophysiology assay |
Bioorg Med Chem 18: 7816-25 (2010)
Article DOI: 10.1016/j.bmc.2010.09.057
BindingDB Entry DOI: 10.7270/Q24B31KG |
More data for this
Ligand-Target Pair | |
L-lactate dehydrogenase A chain
(Homo sapiens (Human)) | BDBM50546978
(CHEMBL4752940)Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(c2)C#CC(O)C2COC2)-c2nc(cs2)C(O)=O)cc1F | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00916
BindingDB Entry DOI: 10.7270/Q2057KJ6 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 10 subunit alpha
(Homo sapiens (Human)) | BDBM50330937
(CHEMBL1277513 | N-(m-Tolyl)-6-(4-chlorophenyl)-pyr...)Show InChI InChI=1S/C18H14ClN3O/c1-12-3-2-4-15(9-12)21-18(23)17-11-20-10-16(22-17)13-5-7-14(19)8-6-13/h2-11H,1H3,(H,21,23) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant NaV1.8 expressed in HEK293 cells by conventional voltageclamp electrophysiology assay |
Bioorg Med Chem 18: 7816-25 (2010)
Article DOI: 10.1016/j.bmc.2010.09.057
BindingDB Entry DOI: 10.7270/Q24B31KG |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 10 subunit alpha
(Homo sapiens (Human)) | BDBM50329206
(5-(4-chlorophenyl)-N-((2-ethoxypyridin-3-yl)methyl...)Show InChI InChI=1S/C20H18ClN3O2/c1-2-26-20-15(4-3-9-23-20)13-24-19(25)17-10-16(11-22-12-17)14-5-7-18(21)8-6-14/h3-12H,2,13H2,1H3,(H,24,25) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human NaV1.8 by electrophysiology |
Bioorg Med Chem Lett 20: 6812-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.121
BindingDB Entry DOI: 10.7270/Q2F76CS6 |
More data for this
Ligand-Target Pair | |
L-lactate dehydrogenase A chain
(Homo sapiens (Human)) | BDBM50546975
(CHEMBL4749903)Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(c2)C#CC(O)C2CCCC2)-c2nc(cs2)C(O)=O)cc1F | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00916
BindingDB Entry DOI: 10.7270/Q2057KJ6 |
More data for this
Ligand-Target Pair | |
L-lactate dehydrogenase A chain
(Homo sapiens (Human)) | BDBM50546979
(CHEMBL4747300 | US11247971, Cmpd ID 423)Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(c2)C#CC2CCOC2)-c2nc(cs2)C(O)=O)cc1F | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00916
BindingDB Entry DOI: 10.7270/Q2057KJ6 |
More data for this
Ligand-Target Pair | |
L-lactate dehydrogenase A chain
(Homo sapiens (Human)) | BDBM50546977
(CHEMBL4759378)Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(c2)C#CC(F)C2COC2)-c2nc(cs2)C(O)=O)cc1F | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00916
BindingDB Entry DOI: 10.7270/Q2057KJ6 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50257180
(CHEMBL2325317)Show SMILES CN1CC(C1)n1nccc1-c1cc(Cl)ccc1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1cscn1 Show InChI InChI=1S/C22H18ClF2N5O3S2/c1-29-9-14(10-29)30-18(4-5-27-30)15-6-13(23)2-3-19(15)33-20-7-17(25)21(8-16(20)24)35(31,32)28-22-11-34-12-26-22/h2-8,11-12,14,28H,9-10H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Icagen Inc. , 4222 Emperor Blvd no. 350, Durham, North Carolina 27703, United States.
Curated by ChEMBL
| Assay Description
Inhibition of human NaV1.7 expressed in HEK cells assessed as half inactivation potential at -120 mV holding potential by automated patch clamp metho... |
J Med Chem 60: 7029-7042 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00598
BindingDB Entry DOI: 10.7270/Q21G0PQF |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 10 subunit alpha
(Homo sapiens (Human)) | BDBM50212239
(5-(4-chlorophenyl)-N-(3,5-dimethoxyphenyl)furan-2-...)Show SMILES COc1cc(NC(=O)c2ccc(o2)-c2ccc(Cl)cc2)cc(OC)c1 Show InChI InChI=1S/C19H16ClNO4/c1-23-15-9-14(10-16(11-15)24-2)21-19(22)18-8-7-17(25-18)12-3-5-13(20)6-4-12/h3-11H,1-2H3,(H,21,22) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Nav 1.8 channel expressed in HEK293 cells |
J Med Chem 51: 407-16 (2008)
Article DOI: 10.1021/jm070637u
BindingDB Entry DOI: 10.7270/Q2KK9CN7 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Sodium channel protein type 10 subunit alpha
(Rattus norvegicus (Rat)) | BDBM50329205
(5-(4-chlorophenyl)-N-((2-(piperidin-1-yl)pyridin-3...)Show SMILES Clc1ccc(cc1)-c1cncc(c1)C(=O)NCc1cccnc1N1CCCCC1 Show InChI InChI=1S/C23H23ClN4O/c24-21-8-6-17(7-9-21)19-13-20(15-25-14-19)23(29)27-16-18-5-4-10-26-22(18)28-11-2-1-3-12-28/h4-10,13-15H,1-3,11-12,16H2,(H,27,29) | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of tetrodotoxin-resistant NaV1.8 in rat DRG neuron by electrophysiology |
Bioorg Med Chem Lett 20: 6812-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.121
BindingDB Entry DOI: 10.7270/Q2F76CS6 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 10 subunit alpha
(Homo sapiens (Human)) | BDBM50329209
(5-(4-chlorophenyl)-N-(2-(piperidin-1-yl)benzyl)nic...)Show SMILES Clc1ccc(cc1)-c1cncc(c1)C(=O)NCc1ccccc1N1CCCCC1 Show InChI InChI=1S/C24H24ClN3O/c25-22-10-8-18(9-11-22)20-14-21(16-26-15-20)24(29)27-17-19-6-2-3-7-23(19)28-12-4-1-5-13-28/h2-3,6-11,14-16H,1,4-5,12-13,17H2,(H,27,29) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human NaV1.8 by electrophysiology |
Bioorg Med Chem Lett 20: 6812-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.121
BindingDB Entry DOI: 10.7270/Q2F76CS6 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 10 subunit alpha
(Homo sapiens (Human)) | BDBM50329218
(CHEMBL1271105 | N-(3,5-dimethylphenyl)-5-(4-(trifl...)Show SMILES Cc1cc(C)cc(NC(=O)c2nsc(n2)-c2ccc(OC(F)(F)F)cc2)c1 Show InChI InChI=1S/C18H14F3N3O2S/c1-10-7-11(2)9-13(8-10)22-16(25)15-23-17(27-24-15)12-3-5-14(6-4-12)26-18(19,20)21/h3-9H,1-2H3,(H,22,25) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human NaV1.8 by electrophysiology |
Bioorg Med Chem Lett 20: 6812-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.121
BindingDB Entry DOI: 10.7270/Q2F76CS6 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50257178
(CHEMBL2325627)Show SMILES Nc1n[nH]cc1-c1cc(ccc1Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nncs1)C(F)(F)F Show InChI InChI=1S/C18H11ClF4N6O3S2/c19-11-4-15(34(30,31)29-17-28-26-7-33-17)12(20)5-14(11)32-13-2-1-8(18(21,22)23)3-9(13)10-6-25-27-16(10)24/h1-7H,(H,28,29)(H3,24,25,27) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Icagen Inc. , 4222 Emperor Blvd no. 350, Durham, North Carolina 27703, United States.
Curated by ChEMBL
| Assay Description
Inhibition of human NaV1.7 expressed in HEK cells assessed as half inactivation potential at -120 mV holding potential by automated patch clamp metho... |
J Med Chem 60: 7029-7042 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00598
BindingDB Entry DOI: 10.7270/Q21G0PQF |
More data for this
Ligand-Target Pair | |
L-lactate dehydrogenase A chain
(Homo sapiens (Human)) | BDBM50546998
(CHEMBL4790159 | US11247971, Cmpd ID 405)Show SMILES Cn1cncc1C#Cc1cc(ccc1F)-c1nn(c(CC2CC2)c1Cc1ccc(c(F)c1)S(N)(=O)=O)-c1nc(cs1)C(O)=O | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00916
BindingDB Entry DOI: 10.7270/Q2057KJ6 |
More data for this
Ligand-Target Pair | |
L-lactate dehydrogenase A chain
(Homo sapiens (Human)) | BDBM50546970
(CHEMBL4783945 | US11247971, Cmpd ID 404)Show SMILES COCC#Cc1cc(ccc1F)-c1nn(c(CC2CC2)c1Cc1ccc(c(F)c1)S(N)(=O)=O)-c1nc(cs1)C(O)=O | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00916
BindingDB Entry DOI: 10.7270/Q2057KJ6 |
More data for this
Ligand-Target Pair | |
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