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PubMed code 21106456

Compile data set for download or QSAR
Found 35 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50325764
PNG
(4-(2'-(trifluoromethoxy)biphenyl-3-yl)thiazole-2-c...)
Show SMILES NC(=O)c1nc(cs1)-c1cccc(c1)-c1ccccc1OC(F)(F)F
Show InChI InChI=1S/C17H11F3N2O2S/c18-17(19,20)24-14-7-2-1-6-12(14)10-4-3-5-11(8-10)13-9-25-16(22-13)15(21)23/h1-9H,(H2,21,23)
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230n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 by VIPR assay


Bioorg Med Chem Lett 20: 7479-82 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.017
BindingDB Entry DOI: 10.7270/Q2MW2HDH
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50325762
PNG
(1-(2',4'-bis(trifluoromethyl)biphenyl-3-yl)-5-meth...)
Show SMILES Cc1cc(nn1-c1cccc(c1)-c1ccc(cc1C(F)(F)F)C(F)(F)F)C(N)=O
Show InChI InChI=1S/C19H13F6N3O/c1-10-7-16(17(26)29)27-28(10)13-4-2-3-11(8-13)14-6-5-12(18(20,21)22)9-15(14)19(23,24)25/h2-9H,1H3,(H2,26,29)
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340n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 by VIPR assay


Bioorg Med Chem Lett 20: 7479-82 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.017
BindingDB Entry DOI: 10.7270/Q2MW2HDH
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50332656
PNG
(CHEMBL1631089 | ethyl 3-carbamoyl-1-(2'-(trifluoro...)
Show SMILES CCOC(=O)c1cc(nn1-c1cccc(c1)-c1ccccc1OC(F)(F)F)C(N)=O
Show InChI InChI=1S/C20H16F3N3O4/c1-2-29-19(28)16-11-15(18(24)27)25-26(16)13-7-5-6-12(10-13)14-8-3-4-9-17(14)30-20(21,22)23/h3-11H,2H2,1H3,(H2,24,27)
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n/an/a 10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 by VIPR assay


Bioorg Med Chem Lett 20: 7479-82 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.017
BindingDB Entry DOI: 10.7270/Q2MW2HDH
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50332657
PNG
(CHEMBL1631090 | N5-ethyl-1-(2'-(trifluoromethoxy)b...)
Show SMILES CCNC(=O)c1cc(nn1-c1cccc(c1)-c1ccccc1OC(F)(F)F)C(N)=O
Show InChI InChI=1S/C20H17F3N4O3/c1-2-25-19(29)16-11-15(18(24)28)26-27(16)13-7-5-6-12(10-13)14-8-3-4-9-17(14)30-20(21,22)23/h3-11H,2H2,1H3,(H2,24,28)(H,25,29)
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n/an/a 29n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 by VIPR assay


Bioorg Med Chem Lett 20: 7479-82 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.017
BindingDB Entry DOI: 10.7270/Q2MW2HDH
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50332649
PNG
(1-(5'-fluoro-2'-(2,2,3,3,3-pentafluoropropoxy)biph...)
Show SMILES NC(=O)c1cc(C(N)=O)n(n1)-c1cccc(c1)-c1cc(F)ccc1OCC(F)(F)C(F)(F)F
Show InChI InChI=1S/C20H14F6N4O3/c21-11-4-5-16(33-9-19(22,23)20(24,25)26)13(7-11)10-2-1-3-12(6-10)30-15(18(28)32)8-14(29-30)17(27)31/h1-8H,9H2,(H2,27,31)(H2,28,32)
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n/an/a 46n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 by VIPR assay


Bioorg Med Chem Lett 20: 7479-82 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.017
BindingDB Entry DOI: 10.7270/Q2MW2HDH
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50332652
PNG
(1-(2'-(trifluoromethoxy)biphenyl-3-yl)-1H-pyrazole...)
Show SMILES NC(=O)c1cn(nc1C(N)=O)-c1cccc(c1)-c1ccccc1OC(F)(F)F
Show InChI InChI=1S/C18H13F3N4O3/c19-18(20,21)28-14-7-2-1-6-12(14)10-4-3-5-11(8-10)25-9-13(16(22)26)15(24-25)17(23)27/h1-9H,(H2,22,26)(H2,23,27)
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n/an/a 49n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 by VIPR assay


Bioorg Med Chem Lett 20: 7479-82 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.017
BindingDB Entry DOI: 10.7270/Q2MW2HDH
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50332650
PNG
(1-(2'-(2,2,3,3,3-pentafluoropropoxy)-3'-(trifluoro...)
Show SMILES NC(=O)c1cc(C(N)=O)n(n1)-c1cccc(c1)-c1cccc(OC(F)(F)F)c1OCC(F)(F)C(F)(F)F
Show InChI InChI=1S/C21H14F8N4O4/c22-19(23,20(24,25)26)9-36-16-12(5-2-6-15(16)37-21(27,28)29)10-3-1-4-11(7-10)33-14(18(31)35)8-13(32-33)17(30)34/h1-8H,9H2,(H2,30,34)(H2,31,35)
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n/an/a 64n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 by VIPR assay


Bioorg Med Chem Lett 20: 7479-82 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.017
BindingDB Entry DOI: 10.7270/Q2MW2HDH
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50332647
PNG
(1-(2'-fluoro-6'-(trifluoromethoxy)biphenyl-3-yl)-1...)
Show SMILES NC(=O)c1cc(C(N)=O)n(n1)-c1cccc(c1)-c1c(F)cccc1OC(F)(F)F
Show InChI InChI=1S/C18H12F4N4O3/c19-11-5-2-6-14(29-18(20,21)22)15(11)9-3-1-4-10(7-9)26-13(17(24)28)8-12(25-26)16(23)27/h1-8H,(H2,23,27)(H2,24,28)
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n/an/a 106n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 by VIPR assay


Bioorg Med Chem Lett 20: 7479-82 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.017
BindingDB Entry DOI: 10.7270/Q2MW2HDH
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50332662
PNG
(1-(4'-fluoro-2'-(2,2,3,3,3-pentafluoropropoxy)biph...)
Show SMILES NC(=O)c1cc(C(N)=O)n(n1)-c1cccc(c1)-c1ccc(F)cc1OCC(F)(F)C(F)(F)F
Show InChI InChI=1S/C20H14F6N4O3/c21-11-4-5-13(16(7-11)33-9-19(22,23)20(24,25)26)10-2-1-3-12(6-10)30-15(18(28)32)8-14(29-30)17(27)31/h1-8H,9H2,(H2,27,31)(H2,28,32)
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n/an/a 106n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 by VIPR assay


Bioorg Med Chem Lett 20: 7479-82 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.017
BindingDB Entry DOI: 10.7270/Q2MW2HDH
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50332654
PNG
(1-(2'-(trifluoromethoxy)biphenyl-3-yl)-1H-pyrazole...)
Show SMILES NC(=O)c1nn(c(C(N)=O)c1C(N)=O)-c1cccc(c1)-c1ccccc1OC(F)(F)F
Show InChI InChI=1S/C19H14F3N5O4/c20-19(21,22)31-12-7-2-1-6-11(12)9-4-3-5-10(8-9)27-15(18(25)30)13(16(23)28)14(26-27)17(24)29/h1-8H,(H2,23,28)(H2,24,29)(H2,25,30)
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n/an/a 115n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 by VIPR assay


Bioorg Med Chem Lett 20: 7479-82 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.017
BindingDB Entry DOI: 10.7270/Q2MW2HDH
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50332655
PNG
(1-(2'-(trifluoromethoxy)biphenyl-3-yl)-1H-pyrazole...)
Show SMILES NC(=O)c1cc(C(N)=O)n(n1)-c1cccc(c1)-c1ccccc1OC(F)(F)F
Show InChI InChI=1S/C18H13F3N4O3/c19-18(20,21)28-15-7-2-1-6-12(15)10-4-3-5-11(8-10)25-14(17(23)27)9-13(24-25)16(22)26/h1-9H,(H2,22,26)(H2,23,27)
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n/an/a 132n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 by VIPR assay


Bioorg Med Chem Lett 20: 7479-82 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.017
BindingDB Entry DOI: 10.7270/Q2MW2HDH
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50332651
PNG
(1-(2'-(2,2,3,3,3-pentafluoropropoxy)-3'-(trifluoro...)
Show SMILES NC(=O)c1cc(C(N)=O)n(n1)-c1cccc(c1)-c1cccc(c1OCC(F)(F)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C21H14F8N4O3/c22-19(23,21(27,28)29)9-36-16-12(5-2-6-13(16)20(24,25)26)10-3-1-4-11(7-10)33-15(18(31)35)8-14(32-33)17(30)34/h1-8H,9H2,(H2,30,34)(H2,31,35)
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n/an/a 147n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 by VIPR assay


Bioorg Med Chem Lett 20: 7479-82 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.017
BindingDB Entry DOI: 10.7270/Q2MW2HDH
More data for this
Ligand-Target Pair
Sodium channel protein type 10 subunit alpha


(Homo sapiens (Human))
BDBM50332649
PNG
(1-(5'-fluoro-2'-(2,2,3,3,3-pentafluoropropoxy)biph...)
Show SMILES NC(=O)c1cc(C(N)=O)n(n1)-c1cccc(c1)-c1cc(F)ccc1OCC(F)(F)C(F)(F)F
Show InChI InChI=1S/C20H14F6N4O3/c21-11-4-5-16(33-9-19(22,23)20(24,25)26)13(7-11)10-2-1-3-12(6-10)30-15(18(28)32)8-14(29-30)17(27)31/h1-8H,9H2,(H2,27,31)(H2,28,32)
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n/an/a 149n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.8 by VIPR assay


Bioorg Med Chem Lett 20: 7479-82 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.017
BindingDB Entry DOI: 10.7270/Q2MW2HDH
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50332659
PNG
(1-(2'-(trifluoromethyl)biphenyl-3-yl)-1H-pyrazole-...)
Show SMILES NC(=O)c1cc(C(N)=O)n(n1)-c1cccc(c1)-c1ccccc1C(F)(F)F
Show InChI InChI=1S/C18H13F3N4O2/c19-18(20,21)13-7-2-1-6-12(13)10-4-3-5-11(8-10)25-15(17(23)27)9-14(24-25)16(22)26/h1-9H,(H2,22,26)(H2,23,27)
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n/an/a 155n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 by VIPR assay


Bioorg Med Chem Lett 20: 7479-82 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.017
BindingDB Entry DOI: 10.7270/Q2MW2HDH
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50332653
PNG
(5-methyl-1-(2'-(trifluoromethoxy)biphenyl-3-yl)-1H...)
Show SMILES Cc1c(C(N)=O)c(nn1-c1cccc(c1)-c1ccccc1OC(F)(F)F)C(N)=O
Show InChI InChI=1S/C19H15F3N4O3/c1-10-15(17(23)27)16(18(24)28)25-26(10)12-6-4-5-11(9-12)13-7-2-3-8-14(13)29-19(20,21)22/h2-9H,1H3,(H2,23,27)(H2,24,28)
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n/an/a 185n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 by VIPR assay


Bioorg Med Chem Lett 20: 7479-82 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.017
BindingDB Entry DOI: 10.7270/Q2MW2HDH
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50332658
PNG
(1-(2',3'-dichlorobiphenyl-3-yl)-1H-pyrazole-3,5-di...)
Show SMILES NC(=O)c1cc(C(N)=O)n(n1)-c1cccc(c1)-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C17H12Cl2N4O2/c18-12-6-2-5-11(15(12)19)9-3-1-4-10(7-9)23-14(17(21)25)8-13(22-23)16(20)24/h1-8H,(H2,20,24)(H2,21,25)
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n/an/a 195n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 by VIPR assay


Bioorg Med Chem Lett 20: 7479-82 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.017
BindingDB Entry DOI: 10.7270/Q2MW2HDH
More data for this
Ligand-Target Pair
Sodium channel protein type 10 subunit alpha


(Homo sapiens (Human))
BDBM50332650
PNG
(1-(2'-(2,2,3,3,3-pentafluoropropoxy)-3'-(trifluoro...)
Show SMILES NC(=O)c1cc(C(N)=O)n(n1)-c1cccc(c1)-c1cccc(OC(F)(F)F)c1OCC(F)(F)C(F)(F)F
Show InChI InChI=1S/C21H14F8N4O4/c22-19(23,20(24,25)26)9-36-16-12(5-2-6-15(16)37-21(27,28)29)10-3-1-4-11(7-10)33-14(18(31)35)8-13(32-33)17(30)34/h1-8H,9H2,(H2,30,34)(H2,31,35)
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n/an/a 203n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.8 by VIPR assay


Bioorg Med Chem Lett 20: 7479-82 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.017
BindingDB Entry DOI: 10.7270/Q2MW2HDH
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50325771
PNG
(5-methyl-1-(2'-(trifluoromethoxy)biphenyl-3-yl)-1H...)
Show SMILES Cc1cc(nn1-c1cccc(c1)-c1ccccc1OC(F)(F)F)C(N)=O
Show InChI InChI=1S/C18H14F3N3O2/c1-11-9-15(17(22)25)23-24(11)13-6-4-5-12(10-13)14-7-2-3-8-16(14)26-18(19,20)21/h2-10H,1H3,(H2,22,25)
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n/an/a 224n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 by VIPR assay


Bioorg Med Chem Lett 20: 7479-82 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.017
BindingDB Entry DOI: 10.7270/Q2MW2HDH
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50332646
PNG
(1-(2'-fluoro-3'-(trifluoromethoxy)biphenyl-3-yl)-1...)
Show SMILES NC(=O)c1cc(C(N)=O)n(n1)-c1cccc(c1)-c1cccc(OC(F)(F)F)c1F
Show InChI InChI=1S/C18H12F4N4O3/c19-15-11(5-2-6-14(15)29-18(20,21)22)9-3-1-4-10(7-9)26-13(17(24)28)8-12(25-26)16(23)27/h1-8H,(H2,23,27)(H2,24,28)
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n/an/a 282n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 by VIPR assay


Bioorg Med Chem Lett 20: 7479-82 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.017
BindingDB Entry DOI: 10.7270/Q2MW2HDH
More data for this
Ligand-Target Pair
Sodium channel protein type 10 subunit alpha


(Homo sapiens (Human))
BDBM50332651
PNG
(1-(2'-(2,2,3,3,3-pentafluoropropoxy)-3'-(trifluoro...)
Show SMILES NC(=O)c1cc(C(N)=O)n(n1)-c1cccc(c1)-c1cccc(c1OCC(F)(F)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C21H14F8N4O3/c22-19(23,21(27,28)29)9-36-16-12(5-2-6-13(16)20(24,25)26)10-3-1-4-11(7-10)33-15(18(31)35)8-14(32-33)17(30)34/h1-8H,9H2,(H2,30,34)(H2,31,35)
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n/an/a 299n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.8 by VIPR assay


Bioorg Med Chem Lett 20: 7479-82 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.017
BindingDB Entry DOI: 10.7270/Q2MW2HDH
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50332648
PNG
(1-(2'-(trifluoromethoxy)-5'-(trifluoromethyl)biphe...)
Show SMILES NC(=O)c1cc(C(N)=O)n(n1)-c1cccc(c1)-c1cc(ccc1OC(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C19H12F6N4O3/c20-18(21,22)10-4-5-15(32-19(23,24)25)12(7-10)9-2-1-3-11(6-9)29-14(17(27)31)8-13(28-29)16(26)30/h1-8H,(H2,26,30)(H2,27,31)
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n/an/a 325n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 by VIPR assay


Bioorg Med Chem Lett 20: 7479-82 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.017
BindingDB Entry DOI: 10.7270/Q2MW2HDH
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50332661
PNG
(1-(6-fluoro-2'-(trifluoromethoxy)biphenyl-3-yl)-1H...)
Show SMILES NC(=O)c1cc(C(N)=O)n(n1)-c1ccc(F)c(c1)-c1ccccc1OC(F)(F)F
Show InChI InChI=1S/C18H12F4N4O3/c19-12-6-5-9(26-14(17(24)28)8-13(25-26)16(23)27)7-11(12)10-3-1-2-4-15(10)29-18(20,21)22/h1-8H,(H2,23,27)(H2,24,28)
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n/an/a 477n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 by VIPR assay


Bioorg Med Chem Lett 20: 7479-82 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.017
BindingDB Entry DOI: 10.7270/Q2MW2HDH
More data for this
Ligand-Target Pair
Sodium channel protein type 10 subunit alpha


(Homo sapiens (Human))
BDBM50332655
PNG
(1-(2'-(trifluoromethoxy)biphenyl-3-yl)-1H-pyrazole...)
Show SMILES NC(=O)c1cc(C(N)=O)n(n1)-c1cccc(c1)-c1ccccc1OC(F)(F)F
Show InChI InChI=1S/C18H13F3N4O3/c19-18(20,21)28-15-7-2-1-6-12(15)10-4-3-5-11(8-10)25-14(17(23)27)9-13(24-25)16(22)26/h1-9H,(H2,22,26)(H2,23,27)
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n/an/a 554n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.8 by VIPR assay


Bioorg Med Chem Lett 20: 7479-82 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.017
BindingDB Entry DOI: 10.7270/Q2MW2HDH
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50332660
PNG
(1-(2',6'-bis(trifluoromethyl)biphenyl-3-yl)-1H-pyr...)
Show SMILES NC(=O)c1cc(C(N)=O)n(n1)-c1cccc(c1)-c1c(cccc1C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C19H12F6N4O2/c20-18(21,22)11-5-2-6-12(19(23,24)25)15(11)9-3-1-4-10(7-9)29-14(17(27)31)8-13(28-29)16(26)30/h1-8H,(H2,26,30)(H2,27,31)
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n/an/a 715n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 by VIPR assay


Bioorg Med Chem Lett 20: 7479-82 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.017
BindingDB Entry DOI: 10.7270/Q2MW2HDH
More data for this
Ligand-Target Pair
Sodium channel protein type 10 subunit alpha


(Homo sapiens (Human))
BDBM50332647
PNG
(1-(2'-fluoro-6'-(trifluoromethoxy)biphenyl-3-yl)-1...)
Show SMILES NC(=O)c1cc(C(N)=O)n(n1)-c1cccc(c1)-c1c(F)cccc1OC(F)(F)F
Show InChI InChI=1S/C18H12F4N4O3/c19-11-5-2-6-14(29-18(20,21)22)15(11)9-3-1-4-10(7-9)26-13(17(24)28)8-12(25-26)16(23)27/h1-8H,(H2,23,27)(H2,24,28)
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n/an/a 802n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.8 by VIPR assay


Bioorg Med Chem Lett 20: 7479-82 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.017
BindingDB Entry DOI: 10.7270/Q2MW2HDH
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50332645
PNG
(1-(2',5'-bis(trifluoromethyl)biphenyl-3-yl)-1H-pyr...)
Show SMILES NC(=O)c1cc(C(N)=O)n(n1)-c1cccc(c1)-c1cc(ccc1C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C19H12F6N4O2/c20-18(21,22)10-4-5-13(19(23,24)25)12(7-10)9-2-1-3-11(6-9)29-15(17(27)31)8-14(28-29)16(26)30/h1-8H,(H2,26,30)(H2,27,31)
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n/an/a 810n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 by VIPR assay


Bioorg Med Chem Lett 20: 7479-82 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.017
BindingDB Entry DOI: 10.7270/Q2MW2HDH
More data for this
Ligand-Target Pair
Sodium channel protein type 10 subunit alpha


(Homo sapiens (Human))
BDBM50332659
PNG
(1-(2'-(trifluoromethyl)biphenyl-3-yl)-1H-pyrazole-...)
Show SMILES NC(=O)c1cc(C(N)=O)n(n1)-c1cccc(c1)-c1ccccc1C(F)(F)F
Show InChI InChI=1S/C18H13F3N4O2/c19-18(20,21)13-7-2-1-6-12(13)10-4-3-5-11(8-10)25-15(17(23)27)9-14(24-25)16(22)26/h1-9H,(H2,22,26)(H2,23,27)
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n/an/a 915n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.8 by VIPR assay


Bioorg Med Chem Lett 20: 7479-82 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.017
BindingDB Entry DOI: 10.7270/Q2MW2HDH
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50332645
PNG
(1-(2',5'-bis(trifluoromethyl)biphenyl-3-yl)-1H-pyr...)
Show SMILES NC(=O)c1cc(C(N)=O)n(n1)-c1cccc(c1)-c1cc(ccc1C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C19H12F6N4O2/c20-18(21,22)10-4-5-13(19(23,24)25)12(7-10)9-2-1-3-11(6-9)29-15(17(27)31)8-14(28-29)16(26)30/h1-8H,(H2,26,30)(H2,27,31)
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n/an/a 1.32E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Nav1.5 by VIPR assay


Bioorg Med Chem Lett 20: 7479-82 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.017
BindingDB Entry DOI: 10.7270/Q2MW2HDH
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50332645
PNG
(1-(2',5'-bis(trifluoromethyl)biphenyl-3-yl)-1H-pyr...)
Show SMILES NC(=O)c1cc(C(N)=O)n(n1)-c1cccc(c1)-c1cc(ccc1C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C19H12F6N4O2/c20-18(21,22)10-4-5-13(19(23,24)25)12(7-10)9-2-1-3-11(6-9)29-15(17(27)31)8-14(28-29)16(26)30/h1-8H,(H2,26,30)(H2,27,31)
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n/an/a 2.03E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


Bioorg Med Chem Lett 20: 7479-82 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.017
BindingDB Entry DOI: 10.7270/Q2MW2HDH
More data for this
Ligand-Target Pair
Pregnane X receptor (PXR)


(Homo sapiens (Human))
BDBM50332645
PNG
(1-(2',5'-bis(trifluoromethyl)biphenyl-3-yl)-1H-pyr...)
Show SMILES NC(=O)c1cc(C(N)=O)n(n1)-c1cccc(c1)-c1cc(ccc1C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C19H12F6N4O2/c20-18(21,22)10-4-5-13(19(23,24)25)12(7-10)9-2-1-3-11(6-9)29-15(17(27)31)8-14(28-29)16(26)30/h1-8H,(H2,26,30)(H2,27,31)
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n/an/a>2.50E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Induction of PXR


Bioorg Med Chem Lett 20: 7479-82 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.017
BindingDB Entry DOI: 10.7270/Q2MW2HDH
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50332645
PNG
(1-(2',5'-bis(trifluoromethyl)biphenyl-3-yl)-1H-pyr...)
Show SMILES NC(=O)c1cc(C(N)=O)n(n1)-c1cccc(c1)-c1cc(ccc1C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C19H12F6N4O2/c20-18(21,22)10-4-5-13(19(23,24)25)12(7-10)9-2-1-3-11(6-9)29-15(17(27)31)8-14(28-29)16(26)30/h1-8H,(H2,26,30)(H2,27,31)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


Bioorg Med Chem Lett 20: 7479-82 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.017
BindingDB Entry DOI: 10.7270/Q2MW2HDH
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50332645
PNG
(1-(2',5'-bis(trifluoromethyl)biphenyl-3-yl)-1H-pyr...)
Show SMILES NC(=O)c1cc(C(N)=O)n(n1)-c1cccc(c1)-c1cc(ccc1C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C19H12F6N4O2/c20-18(21,22)10-4-5-13(19(23,24)25)12(7-10)9-2-1-3-11(6-9)29-15(17(27)31)8-14(28-29)16(26)30/h1-8H,(H2,26,30)(H2,27,31)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


Bioorg Med Chem Lett 20: 7479-82 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.017
BindingDB Entry DOI: 10.7270/Q2MW2HDH
More data for this
Ligand-Target Pair
Sodium channel protein type 10 subunit alpha


(Homo sapiens (Human))
BDBM50332648
PNG
(1-(2'-(trifluoromethoxy)-5'-(trifluoromethyl)biphe...)
Show SMILES NC(=O)c1cc(C(N)=O)n(n1)-c1cccc(c1)-c1cc(ccc1OC(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C19H12F6N4O3/c20-18(21,22)10-4-5-15(32-19(23,24)25)12(7-10)9-2-1-3-11(6-9)29-14(17(27)31)8-13(28-29)16(26)30/h1-8H,(H2,26,30)(H2,27,31)
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n/an/a 1.18E+6n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.8 by VIPR assay


Bioorg Med Chem Lett 20: 7479-82 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.017
BindingDB Entry DOI: 10.7270/Q2MW2HDH
More data for this
Ligand-Target Pair
Sodium channel protein type 10 subunit alpha


(Homo sapiens (Human))
BDBM50332646
PNG
(1-(2'-fluoro-3'-(trifluoromethoxy)biphenyl-3-yl)-1...)
Show SMILES NC(=O)c1cc(C(N)=O)n(n1)-c1cccc(c1)-c1cccc(OC(F)(F)F)c1F
Show InChI InChI=1S/C18H12F4N4O3/c19-15-11(5-2-6-14(15)29-18(20,21)22)9-3-1-4-10(7-9)26-13(17(24)28)8-12(25-26)16(23)27/h1-8H,(H2,23,27)(H2,24,28)
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n/an/a 1.51E+6n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.8 by VIPR assay


Bioorg Med Chem Lett 20: 7479-82 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.017
BindingDB Entry DOI: 10.7270/Q2MW2HDH
More data for this
Ligand-Target Pair
Sodium channel protein type 10 subunit alpha


(Homo sapiens (Human))
BDBM50332645
PNG
(1-(2',5'-bis(trifluoromethyl)biphenyl-3-yl)-1H-pyr...)
Show SMILES NC(=O)c1cc(C(N)=O)n(n1)-c1cccc(c1)-c1cc(ccc1C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C19H12F6N4O2/c20-18(21,22)10-4-5-13(19(23,24)25)12(7-10)9-2-1-3-11(6-9)29-15(17(27)31)8-14(28-29)16(26)30/h1-8H,(H2,26,30)(H2,27,31)
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n/an/a 2.00E+6n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.8 by VIPR assay


Bioorg Med Chem Lett 20: 7479-82 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.017
BindingDB Entry DOI: 10.7270/Q2MW2HDH
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%