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Compile Data Set for Download or QSAR

Found 74 hits Enz. Inhib. hit(s) with all data for entry = 50016032   
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))
BDBM50164039
PNG
((1S,2S)-Cyclopentane-1,2-dicarboxylic acid 1-[(bip...)
Show SMILES NS(=O)(=O)c1ccccc1-c1ccc(CNC(=O)[C@H]2CCC[C@@H]2C(=O)NCc2ccc(cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C33H33N3O4S/c34-41(39,40)31-12-5-4-9-28(31)27-19-15-24(16-20-27)22-36-33(38)30-11-6-10-29(30)32(37)35-21-23-13-17-26(18-14-23)25-7-2-1-3-8-25/h1-5,7-9,12-20,29-30H,6,10-11,21-22H2,(H,35,37)(H,36,38)(H2,34,39,40)/t29-,30-/m0/s1
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30n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory constant against voltage-gated sodium channel Nav1.7 in electrophysiology assays (EP)


Bioorg Med Chem Lett 15: 1901-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.002
BindingDB Entry DOI: 10.7270/Q2HH6JMD
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50164048
PNG
((1S,2S)-Cyclopentane-1,2-dicarboxylic acid 1-[([2,...)
Show SMILES CC(NC(=O)[C@H]1CCC[C@@H]1C(=O)NCc1ccc(s1)-c1cccs1)c1ccc(cc1)-c1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C30H31N3O4S3/c1-19(20-11-13-21(14-12-20)23-6-2-3-10-28(23)40(31,36)37)33-30(35)25-8-4-7-24(25)29(34)32-18-22-15-16-27(39-22)26-9-5-17-38-26/h2-3,5-6,9-17,19,24-25H,4,7-8,18H2,1H3,(H,32,34)(H,33,35)(H2,31,36,37)/t19?,24-,25-/m0/s1
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50n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory constant against voltage-gated sodium channel Nav1.7 in electrophysiology assays (EP)


Bioorg Med Chem Lett 15: 1901-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.002
BindingDB Entry DOI: 10.7270/Q2HH6JMD
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50164043
PNG
((1S,2S)-Cyclopentane-1,2-dicarboxylic acid 1-[([2,...)
Show SMILES NS(=O)(=O)c1ccccc1-c1ccc(CNC(=O)[C@H]2CCC[C@@H]2C(=O)NCc2ccc(s2)-c2cccs2)cc1
Show InChI InChI=1S/C29H29N3O4S3/c30-39(35,36)27-9-2-1-5-22(27)20-12-10-19(11-13-20)17-31-28(33)23-6-3-7-24(23)29(34)32-18-21-14-15-26(38-21)25-8-4-16-37-25/h1-2,4-5,8-16,23-24H,3,6-7,17-18H2,(H,31,33)(H,32,34)(H2,30,35,36)/t23-,24-/m0/s1
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60n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory constant against voltage-gated sodium channel Nav1.7 in electrophysiology assays (EP)


Bioorg Med Chem Lett 15: 1901-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.002
BindingDB Entry DOI: 10.7270/Q2HH6JMD
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50164070
PNG
((1S,2S)-2-[(2''-Trifluoromethyl-biphenyl-4-ylmethy...)
Show SMILES FC(F)(F)c1ccccc1-c1ccc(CN[C@H]2CCC[C@@H]2C(=O)NCc2ccc(s2)-c2cccs2)cc1
Show InChI InChI=1S/C29H27F3N2OS2/c30-29(31,32)24-7-2-1-5-22(24)20-12-10-19(11-13-20)17-33-25-8-3-6-23(25)28(35)34-18-21-14-15-27(37-21)26-9-4-16-36-26/h1-2,4-5,7,9-16,23,25,33H,3,6,8,17-18H2,(H,34,35)/t23-,25-/m0/s1
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110n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory constant against voltage-gated sodium channel Nav1.7 in electrophysiology assays (EP)


Bioorg Med Chem Lett 15: 1901-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.002
BindingDB Entry DOI: 10.7270/Q2HH6JMD
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50164042
PNG
((1S,2S)-2-[(2''-Methyl-biphenyl-4-ylmethyl)-amino]...)
Show SMILES Cc1ccccc1-c1ccc(CN[C@H]2CCC[C@@H]2C(=O)NCc2ccc(s2)-c2cccs2)cc1
Show InChI InChI=1S/C29H30N2OS2/c1-20-6-2-3-7-24(20)22-13-11-21(12-14-22)18-30-26-9-4-8-25(26)29(32)31-19-23-15-16-28(34-23)27-10-5-17-33-27/h2-3,5-7,10-17,25-26,30H,4,8-9,18-19H2,1H3,(H,31,32)/t25-,26-/m0/s1
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130n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory constant against voltage-gated sodium channel Nav1.7 in electrophysiology assays (EP)


Bioorg Med Chem Lett 15: 1901-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.002
BindingDB Entry DOI: 10.7270/Q2HH6JMD
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50164067
PNG
((1S,2S)-2-[(2''-Methanesulfonyl-biphenyl-4-ylmethy...)
Show SMILES CS(=O)(=O)c1ccccc1-c1ccc(CN[C@H]2CCC[C@@H]2C(=O)NCc2ccc(s2)-c2cccs2)cc1
Show InChI InChI=1S/C29H30N2O3S3/c1-37(33,34)28-10-3-2-6-23(28)21-13-11-20(12-14-21)18-30-25-8-4-7-24(25)29(32)31-19-22-15-16-27(36-22)26-9-5-17-35-26/h2-3,5-6,9-17,24-25,30H,4,7-8,18-19H2,1H3,(H,31,32)/t24-,25-/m0/s1
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140n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory constant against voltage-gated sodium channel Nav1.7 in electrophysiology assays (EP)


Bioorg Med Chem Lett 15: 1901-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.002
BindingDB Entry DOI: 10.7270/Q2HH6JMD
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50164058
PNG
(CHEMBL360307 | N-[2,2'']Bithiophenyl-5-ylmethyl-N'...)
Show SMILES NS(=O)(=O)c1ccccc1-c1ccc(CNC(=O)c2ccccc2C(=O)NCc2ccc(s2)-c2cccs2)cc1
Show InChI InChI=1S/C30H25N3O4S3/c31-40(36,37)28-10-4-3-6-23(28)21-13-11-20(12-14-21)18-32-29(34)24-7-1-2-8-25(24)30(35)33-19-22-15-16-27(39-22)26-9-5-17-38-26/h1-17H,18-19H2,(H,32,34)(H,33,35)(H2,31,36,37)
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140n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory constant against voltage-gated sodium channel Nav1.7 in electrophysiology assays (EP)


Bioorg Med Chem Lett 15: 1901-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.002
BindingDB Entry DOI: 10.7270/Q2HH6JMD
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50164047
PNG
(CHEMBL361097 | N-[2,2'']Bithiophenyl-5-ylmethyl-N'...)
Show SMILES NS(=O)(=O)c1ccccc1-c1ccc(CNC(=O)CCC(=O)NCc2ccc(s2)-c2cccs2)cc1
Show InChI InChI=1S/C26H25N3O4S3/c27-36(32,33)24-6-2-1-4-21(24)19-9-7-18(8-10-19)16-28-25(30)13-14-26(31)29-17-20-11-12-23(35-20)22-5-3-15-34-22/h1-12,15H,13-14,16-17H2,(H,28,30)(H,29,31)(H2,27,32,33)
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150n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory constant against voltage-gated sodium channel Nav1.7 in electrophysiology assays (EP)


Bioorg Med Chem Lett 15: 1901-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.002
BindingDB Entry DOI: 10.7270/Q2HH6JMD
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50164051
PNG
((1S,2S)-2-[(2''-Methoxy-biphenyl-4-ylmethyl)-amino...)
Show SMILES COc1ccccc1-c1ccc(CN[C@H]2CCC[C@@H]2C(=O)NCc2ccc(s2)-c2cccs2)cc1
Show InChI InChI=1S/C29H30N2O2S2/c1-33-26-9-3-2-6-23(26)21-13-11-20(12-14-21)18-30-25-8-4-7-24(25)29(32)31-19-22-15-16-28(35-22)27-10-5-17-34-27/h2-3,5-6,9-17,24-25,30H,4,7-8,18-19H2,1H3,(H,31,32)/t24-,25-/m0/s1
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160n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory constant against voltage-gated sodium channel Nav1.7 in electrophysiology assays (EP)


Bioorg Med Chem Lett 15: 1901-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.002
BindingDB Entry DOI: 10.7270/Q2HH6JMD
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50164040
PNG
((1S,2S)-Cyclopentane-1,2-dicarboxylic acid 1-[meth...)
Show SMILES CN(Cc1ccc(cc1)-c1ccccc1S(N)(=O)=O)C(=O)[C@H]1CCC[C@@H]1C(=O)NCc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C29H30F3N3O5S/c1-35(18-20-9-13-21(14-10-20)23-5-2-3-8-26(23)41(33,38)39)28(37)25-7-4-6-24(25)27(36)34-17-19-11-15-22(16-12-19)40-29(30,31)32/h2-3,5,8-16,24-25H,4,6-7,17-18H2,1H3,(H,34,36)(H2,33,38,39)/t24-,25-/m0/s1
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210n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory constant against voltage-gated sodium channel Nav1.7 in electrophysiology assays (EP)


Bioorg Med Chem Lett 15: 1901-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.002
BindingDB Entry DOI: 10.7270/Q2HH6JMD
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50164062
PNG
((1S,2S)-Cyclopentane-1,2-dicarboxylic acid 1-[meth...)
Show SMILES CN(Cc1ccc(cc1)-c1ccccc1S(N)(=O)=O)C(=O)[C@H]1CCC[C@@H]1C(=O)NCc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C29H30F3N3O4S/c1-35(18-20-9-13-21(14-10-20)23-5-2-3-8-26(23)40(33,38)39)28(37)25-7-4-6-24(25)27(36)34-17-19-11-15-22(16-12-19)29(30,31)32/h2-3,5,8-16,24-25H,4,6-7,17-18H2,1H3,(H,34,36)(H2,33,38,39)/t24-,25-/m0/s1
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280n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory constant against voltage-gated sodium channel Nav1.7 in electrophysiology assays (EP)


Bioorg Med Chem Lett 15: 1901-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.002
BindingDB Entry DOI: 10.7270/Q2HH6JMD
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50164057
PNG
((1S,2S)-2-[Methyl-(2''-trifluoromethyl-biphenyl-4-...)
Show SMILES CN(Cc1ccc(cc1)-c1ccccc1C(F)(F)F)[C@H]1CCC[C@@H]1C(=O)N(C)Cc1ccc(s1)-c1cccs1
Show InChI InChI=1S/C31H31F3N2OS2/c1-35(19-21-12-14-22(15-13-21)24-7-3-4-9-26(24)31(32,33)34)27-10-5-8-25(27)30(37)36(2)20-23-16-17-29(39-23)28-11-6-18-38-28/h3-4,6-7,9,11-18,25,27H,5,8,10,19-20H2,1-2H3/t25-,27-/m0/s1
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330n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory constant against voltage-gated sodium channel Nav1.7 in electrophysiology assays (EP)


Bioorg Med Chem Lett 15: 1901-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.002
BindingDB Entry DOI: 10.7270/Q2HH6JMD
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50164068
PNG
((1S,2S)-Cyclopentane-1,2-dicarboxylic acid 1-[(2''...)
Show SMILES NS(=O)(=O)c1ccccc1-c1ccc(CNC(=O)[C@H]2CCC[C@@H]2C(=O)NCc2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C28H28F3N3O5S/c29-28(30,31)39-21-14-10-19(11-15-21)17-34-27(36)24-6-3-5-23(24)26(35)33-16-18-8-12-20(13-9-18)22-4-1-2-7-25(22)40(32,37)38/h1-2,4,7-15,23-24H,3,5-6,16-17H2,(H,33,35)(H,34,36)(H2,32,37,38)/t23-,24-/m0/s1
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360n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory constant against voltage-gated sodium channel Nav1.7 in electrophysiology assays (EP)


Bioorg Med Chem Lett 15: 1901-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.002
BindingDB Entry DOI: 10.7270/Q2HH6JMD
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50164045
PNG
((1S,2S)-Cyclopentane-1,2-dicarboxylic acid 1-[(2''...)
Show SMILES Cc1ccccc1-c1ccc(CNC(=O)[C@H]2CCC[C@@H]2C(=O)NCc2ccc(cc2)-c2ccccc2S(N)(=O)=O)cc1
Show InChI InChI=1S/C34H35N3O4S/c1-23-7-2-3-8-28(23)26-17-13-24(14-18-26)21-36-33(38)30-10-6-11-31(30)34(39)37-22-25-15-19-27(20-16-25)29-9-4-5-12-32(29)42(35,40)41/h2-5,7-9,12-20,30-31H,6,10-11,21-22H2,1H3,(H,36,38)(H,37,39)(H2,35,40,41)/t30-,31-/m0/s1
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370n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory constant against voltage-gated sodium channel Nav1.7 in electrophysiology assays (EP)


Bioorg Med Chem Lett 15: 1901-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.002
BindingDB Entry DOI: 10.7270/Q2HH6JMD
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50164049
PNG
((Z)-But-2-enedioic acid ([2,2'']bithiophenyl-5-ylm...)
Show SMILES NS(=O)(=O)c1ccccc1-c1ccc(CNC(=O)\C=C/C(=O)NCc2ccc(s2)-c2cccs2)cc1
Show InChI InChI=1S/C26H23N3O4S3/c27-36(32,33)24-6-2-1-4-21(24)19-9-7-18(8-10-19)16-28-25(30)13-14-26(31)29-17-20-11-12-23(35-20)22-5-3-15-34-22/h1-15H,16-17H2,(H,28,30)(H,29,31)(H2,27,32,33)/b14-13-
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410n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory constant against voltage-gated sodium channel Nav1.7 in electrophysiology assays (EP)


Bioorg Med Chem Lett 15: 1901-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.002
BindingDB Entry DOI: 10.7270/Q2HH6JMD
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50164041
PNG
((1S,2S)-Cyclopentane-1,2-dicarboxylic acid 1-[(2''...)
Show SMILES NS(=O)(=O)c1ccccc1-c1ccc(CNC(=O)[C@H]2CCC[C@@H]2C(=O)NCc2ccc(cc2)-c2ccccc2C(F)(F)F)cc1
Show InChI InChI=1S/C34H32F3N3O4S/c35-34(36,37)30-10-3-1-6-26(30)24-16-12-22(13-17-24)20-39-32(41)28-8-5-9-29(28)33(42)40-21-23-14-18-25(19-15-23)27-7-2-4-11-31(27)45(38,43)44/h1-4,6-7,10-19,28-29H,5,8-9,20-21H2,(H,39,41)(H,40,42)(H2,38,43,44)/t28-,29-/m0/s1
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510n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory constant against voltage-gated sodium channel Nav1.7 in electrophysiology assays (EP)


Bioorg Med Chem Lett 15: 1901-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.002
BindingDB Entry DOI: 10.7270/Q2HH6JMD
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50164050
PNG
((1S,2S)-Cyclopentane-1,2-dicarboxylic acid 1-[meth...)
Show SMILES CN(Cc1ccc(cc1)-c1ccccc1S(N)(=O)=O)C(=O)[C@H]1CCC[C@@H]1C(=O)NCc1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C29H30F3N3O5S/c1-35(18-19-12-14-21(15-13-19)23-8-2-3-11-26(23)41(33,38)39)28(37)25-10-5-9-24(25)27(36)34-17-20-6-4-7-22(16-20)40-29(30,31)32/h2-4,6-8,11-16,24-25H,5,9-10,17-18H2,1H3,(H,34,36)(H2,33,38,39)/t24-,25-/m0/s1
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530n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory constant against voltage-gated sodium channel Nav1.7 in electrophysiology assays (EP)


Bioorg Med Chem Lett 15: 1901-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.002
BindingDB Entry DOI: 10.7270/Q2HH6JMD
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50164060
PNG
((1S,2R)-Cyclopentane-1,2-dicarboxylic acid 1-[([2,...)
Show SMILES NS(=O)(=O)c1ccccc1-c1ccc(CNC(=O)[C@H]2CCC[C@H]2C(=O)NCc2ccc(s2)-c2cccs2)cc1
Show InChI InChI=1S/C29H29N3O4S3/c30-39(35,36)27-9-2-1-5-22(27)20-12-10-19(11-13-20)17-31-28(33)23-6-3-7-24(23)29(34)32-18-21-14-15-26(38-21)25-8-4-16-37-25/h1-2,4-5,8-16,23-24H,3,6-7,17-18H2,(H,31,33)(H,32,34)(H2,30,35,36)/t23-,24+/m0/s1
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670n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory constant against voltage-gated sodium channel Nav1.7 in electrophysiology assays (EP)


Bioorg Med Chem Lett 15: 1901-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.002
BindingDB Entry DOI: 10.7270/Q2HH6JMD
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50164030
PNG
((1S,2S)-Cyclopentane-1,2-dicarboxylic acid 1-[(2''...)
Show SMILES COc1ccccc1-c1ccc(CNC(=O)[C@H]2CCC[C@@H]2C(=O)NCc2ccc(cc2)-c2ccccc2S(N)(=O)=O)cc1
Show InChI InChI=1S/C34H35N3O5S/c1-42-31-11-4-2-7-27(31)25-17-13-23(14-18-25)21-36-33(38)29-9-6-10-30(29)34(39)37-22-24-15-19-26(20-16-24)28-8-3-5-12-32(28)43(35,40)41/h2-5,7-8,11-20,29-30H,6,9-10,21-22H2,1H3,(H,36,38)(H,37,39)(H2,35,40,41)/t29-,30-/m0/s1
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690n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory constant against voltage-gated sodium channel Nav1.7 in electrophysiology assays (EP)


Bioorg Med Chem Lett 15: 1901-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.002
BindingDB Entry DOI: 10.7270/Q2HH6JMD
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50164031
PNG
((1S,2S)-Cyclopentane-1,2-dicarboxylic acid 1-(4-ni...)
Show SMILES NS(=O)(=O)c1ccccc1-c1ccc(CNC(=O)[C@H]2CCC[C@@H]2C(=O)NCc2ccc(cc2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C27H28N4O6S/c28-38(36,37)25-7-2-1-4-22(25)20-12-8-18(9-13-20)16-29-26(32)23-5-3-6-24(23)27(33)30-17-19-10-14-21(15-11-19)31(34)35/h1-2,4,7-15,23-24H,3,5-6,16-17H2,(H,29,32)(H,30,33)(H2,28,36,37)/t23-,24-/m0/s1
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2.00E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory constant against voltage-gated sodium channel Nav1.7 in electrophysiology assays (EP)


Bioorg Med Chem Lett 15: 1901-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.002
BindingDB Entry DOI: 10.7270/Q2HH6JMD
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50164061
PNG
((1S,2S)-Cyclopentane-1,2-dicarboxylic acid 1-(4-me...)
Show SMILES COc1ccc(CNC(=O)[C@H]2CCC[C@@H]2C(=O)N(C)Cc2ccc(cc2)-c2ccccc2S(N)(=O)=O)cc1
Show InChI InChI=1S/C29H33N3O5S/c1-32(19-21-10-14-22(15-11-21)24-6-3-4-9-27(24)38(30,35)36)29(34)26-8-5-7-25(26)28(33)31-18-20-12-16-23(37-2)17-13-20/h3-4,6,9-17,25-26H,5,7-8,18-19H2,1-2H3,(H,31,33)(H2,30,35,36)/t25-,26-/m0/s1
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2.10E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory constant against voltage-gated sodium channel Nav1.7 in electrophysiology assays (EP)


Bioorg Med Chem Lett 15: 1901-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.002
BindingDB Entry DOI: 10.7270/Q2HH6JMD
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50164046
PNG
((1S,2S)-Cyclohexane-1,2-dicarboxylic acid 1-[([2,2...)
Show SMILES NS(=O)(=O)c1ccccc1-c1ccc(CNC(=O)[C@H]2CCCC[C@@H]2C(=O)NCc2ccc(s2)-c2cccs2)cc1
Show InChI InChI=1S/C30H31N3O4S3/c31-40(36,37)28-10-4-3-6-23(28)21-13-11-20(12-14-21)18-32-29(34)24-7-1-2-8-25(24)30(35)33-19-22-15-16-27(39-22)26-9-5-17-38-26/h3-6,9-17,24-25H,1-2,7-8,18-19H2,(H,32,34)(H,33,35)(H2,31,36,37)/t24-,25-/m0/s1
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2.10E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory constant against voltage-gated sodium channel Nav1.7 in electrophysiology assays (EP)


Bioorg Med Chem Lett 15: 1901-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.002
BindingDB Entry DOI: 10.7270/Q2HH6JMD
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50164071
PNG
((1S,2S)-2-[(Biphenyl-4-ylmethyl)-amino]-cyclopenta...)
Show SMILES O=C(NCc1ccc(s1)-c1cccs1)[C@H]1CCC[C@@H]1NCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C28H28N2OS2/c31-28(30-19-23-15-16-27(33-23)26-10-5-17-32-26)24-8-4-9-25(24)29-18-20-11-13-22(14-12-20)21-6-2-1-3-7-21/h1-3,5-7,10-17,24-25,29H,4,8-9,18-19H2,(H,30,31)/t24-,25-/m0/s1
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2.50E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory constant against voltage-gated sodium channel Nav1.7 in electrophysiology assays (EP)


Bioorg Med Chem Lett 15: 1901-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.002
BindingDB Entry DOI: 10.7270/Q2HH6JMD
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50164037
PNG
((1R,2R)-3-Methylene-cyclopropane-1,2-dicarboxylic ...)
Show SMILES NS(=O)(=O)c1ccccc1-c1ccc(CNC(=O)[C@@H]2[C@@H](C(=O)NCc3ccc(s3)-c3cccs3)C2=C)cc1
Show InChI InChI=1S/C28H25N3O4S3/c1-17-25(26(17)28(33)31-16-20-12-13-23(37-20)22-6-4-14-36-22)27(32)30-15-18-8-10-19(11-9-18)21-5-2-3-7-24(21)38(29,34)35/h2-14,25-26H,1,15-16H2,(H,30,32)(H,31,33)(H2,29,34,35)/t25-,26-/m0/s1
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5.70E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory constant against voltage-gated sodium channel Nav1.7 in electrophysiology assays (EP)


Bioorg Med Chem Lett 15: 1901-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.002
BindingDB Entry DOI: 10.7270/Q2HH6JMD
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50164033
PNG
(CHEMBL183380 | N-[2,2'']Bithiophenyl-5-ylmethyl-N'...)
Show SMILES NS(=O)(=O)c1ccccc1-c1ccc(CNC(=O)c2cccc(c2)C(=O)NCc2ccc(s2)-c2cccs2)cc1
Show InChI InChI=1S/C30H25N3O4S3/c31-40(36,37)28-9-2-1-7-25(28)21-12-10-20(11-13-21)18-32-29(34)22-5-3-6-23(17-22)30(35)33-19-24-14-15-27(39-24)26-8-4-16-38-26/h1-17H,18-19H2,(H,32,34)(H,33,35)(H2,31,36,37)
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6.20E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory constant against voltage-gated sodium channel Nav1.7 in electrophysiology assays (EP)


Bioorg Med Chem Lett 15: 1901-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.002
BindingDB Entry DOI: 10.7270/Q2HH6JMD
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50164044
PNG
((1S,2S)-Cyclopentane-1,2-dicarboxylic acid 1-(4-me...)
Show SMILES COc1ccc(CNC(=O)[C@H]2CCC[C@@H]2C(=O)NCc2ccc(cc2)-c2ccccc2S(N)(=O)=O)cc1
Show InChI InChI=1S/C28H31N3O5S/c1-36-22-15-11-20(12-16-22)18-31-28(33)25-7-4-6-24(25)27(32)30-17-19-9-13-21(14-10-19)23-5-2-3-8-26(23)37(29,34)35/h2-3,5,8-16,24-25H,4,6-7,17-18H2,1H3,(H,30,32)(H,31,33)(H2,29,34,35)/t24-,25-/m0/s1
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1.20E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory constant against voltage-gated sodium channel Nav1.7 in electrophysiology assays (EP)


Bioorg Med Chem Lett 15: 1901-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.002
BindingDB Entry DOI: 10.7270/Q2HH6JMD
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50164047
PNG
(CHEMBL361097 | N-[2,2'']Bithiophenyl-5-ylmethyl-N'...)
Show SMILES NS(=O)(=O)c1ccccc1-c1ccc(CNC(=O)CCC(=O)NCc2ccc(s2)-c2cccs2)cc1
Show InChI InChI=1S/C26H25N3O4S3/c27-36(32,33)24-6-2-1-4-21(24)19-9-7-18(8-10-19)16-28-25(30)13-14-26(31)29-17-20-11-12-23(35-20)22-5-3-15-34-22/h1-12,15H,13-14,16-17H2,(H,28,30)(H,29,31)(H2,27,32,33)
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n/an/a 150n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against voltage-gated sodium channel Nav1.7 in voltage-ion-probe-reader (VIPR) assay


Bioorg Med Chem Lett 15: 1901-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.002
BindingDB Entry DOI: 10.7270/Q2HH6JMD
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50164064
PNG
((1S,2S)-Cyclobutane-1,2-dicarboxylic acid 1-[([2,2...)
Show SMILES NS(=O)(=O)c1ccccc1-c1ccc(CNC(=O)[C@H]2CC[C@@H]2C(=O)NCc2ccc(s2)-c2cccs2)cc1
Show InChI InChI=1S/C28H27N3O4S3/c29-38(34,35)26-6-2-1-4-21(26)19-9-7-18(8-10-19)16-30-27(32)22-12-13-23(22)28(33)31-17-20-11-14-25(37-20)24-5-3-15-36-24/h1-11,14-15,22-23H,12-13,16-17H2,(H,30,32)(H,31,33)(H2,29,34,35)/t22-,23-/m0/s1
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n/an/a 210n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against voltage-gated sodium channel Nav1.7 in voltage-ion-probe-reader (VIPR) assay


Bioorg Med Chem Lett 15: 1901-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.002
BindingDB Entry DOI: 10.7270/Q2HH6JMD
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50164067
PNG
((1S,2S)-2-[(2''-Methanesulfonyl-biphenyl-4-ylmethy...)
Show SMILES CS(=O)(=O)c1ccccc1-c1ccc(CN[C@H]2CCC[C@@H]2C(=O)NCc2ccc(s2)-c2cccs2)cc1
Show InChI InChI=1S/C29H30N2O3S3/c1-37(33,34)28-10-3-2-6-23(28)21-13-11-20(12-14-21)18-30-25-8-4-7-24(25)29(32)31-19-22-15-16-27(36-22)26-9-5-17-35-26/h2-3,5-6,9-17,24-25,30H,4,7-8,18-19H2,1H3,(H,31,32)/t24-,25-/m0/s1
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n/an/a 260n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against voltage-gated sodium channel Nav1.7 in voltage-ion-probe-reader (VIPR) assay


Bioorg Med Chem Lett 15: 1901-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.002
BindingDB Entry DOI: 10.7270/Q2HH6JMD
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50164068
PNG
((1S,2S)-Cyclopentane-1,2-dicarboxylic acid 1-[(2''...)
Show SMILES NS(=O)(=O)c1ccccc1-c1ccc(CNC(=O)[C@H]2CCC[C@@H]2C(=O)NCc2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C28H28F3N3O5S/c29-28(30,31)39-21-14-10-19(11-15-21)17-34-27(36)24-6-3-5-23(24)26(35)33-16-18-8-12-20(13-9-18)22-4-1-2-7-25(22)40(32,37)38/h1-2,4,7-15,23-24H,3,5-6,16-17H2,(H,33,35)(H,34,36)(H2,32,37,38)/t23-,24-/m0/s1
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n/an/a 300n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against voltage-gated sodium channel Nav1.7 in voltage-ion-probe-reader (VIPR) assay


Bioorg Med Chem Lett 15: 1901-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.002
BindingDB Entry DOI: 10.7270/Q2HH6JMD
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50164043
PNG
((1S,2S)-Cyclopentane-1,2-dicarboxylic acid 1-[([2,...)
Show SMILES NS(=O)(=O)c1ccccc1-c1ccc(CNC(=O)[C@H]2CCC[C@@H]2C(=O)NCc2ccc(s2)-c2cccs2)cc1
Show InChI InChI=1S/C29H29N3O4S3/c30-39(35,36)27-9-2-1-5-22(27)20-12-10-19(11-13-20)17-31-28(33)23-6-3-7-24(23)29(34)32-18-21-14-15-26(38-21)25-8-4-16-37-25/h1-2,4-5,8-16,23-24H,3,6-7,17-18H2,(H,31,33)(H,32,34)(H2,30,35,36)/t23-,24-/m0/s1
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n/an/a 370n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against voltage-gated sodium channel Nav1.7 in voltage-ion-probe-reader (VIPR) assay


Bioorg Med Chem Lett 15: 1901-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.002
BindingDB Entry DOI: 10.7270/Q2HH6JMD
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50164041
PNG
((1S,2S)-Cyclopentane-1,2-dicarboxylic acid 1-[(2''...)
Show SMILES NS(=O)(=O)c1ccccc1-c1ccc(CNC(=O)[C@H]2CCC[C@@H]2C(=O)NCc2ccc(cc2)-c2ccccc2C(F)(F)F)cc1
Show InChI InChI=1S/C34H32F3N3O4S/c35-34(36,37)30-10-3-1-6-26(30)24-16-12-22(13-17-24)20-39-32(41)28-8-5-9-29(28)33(42)40-21-23-14-18-25(19-15-23)27-7-2-4-11-31(27)45(38,43)44/h1-4,6-7,10-19,28-29H,5,8-9,20-21H2,(H,39,41)(H,40,42)(H2,38,43,44)/t28-,29-/m0/s1
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n/an/a 370n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against voltage-gated sodium channel Nav1.7 in voltage-ion-probe-reader (VIPR) assay


Bioorg Med Chem Lett 15: 1901-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.002
BindingDB Entry DOI: 10.7270/Q2HH6JMD
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50164049
PNG
((Z)-But-2-enedioic acid ([2,2'']bithiophenyl-5-ylm...)
Show SMILES NS(=O)(=O)c1ccccc1-c1ccc(CNC(=O)\C=C/C(=O)NCc2ccc(s2)-c2cccs2)cc1
Show InChI InChI=1S/C26H23N3O4S3/c27-36(32,33)24-6-2-1-4-21(24)19-9-7-18(8-10-19)16-28-25(30)13-14-26(31)29-17-20-11-12-23(35-20)22-5-3-15-34-22/h1-15H,16-17H2,(H,28,30)(H,29,31)(H2,27,32,33)/b14-13-
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n/an/a 520n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against voltage-gated sodium channel Nav1.7 in voltage-ion-probe-reader (VIPR) assay


Bioorg Med Chem Lett 15: 1901-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.002
BindingDB Entry DOI: 10.7270/Q2HH6JMD
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50164030
PNG
((1S,2S)-Cyclopentane-1,2-dicarboxylic acid 1-[(2''...)
Show SMILES COc1ccccc1-c1ccc(CNC(=O)[C@H]2CCC[C@@H]2C(=O)NCc2ccc(cc2)-c2ccccc2S(N)(=O)=O)cc1
Show InChI InChI=1S/C34H35N3O5S/c1-42-31-11-4-2-7-27(31)25-17-13-23(14-18-25)21-36-33(38)29-9-6-10-30(29)34(39)37-22-24-15-19-26(20-16-24)28-8-3-5-12-32(28)43(35,40)41/h2-5,7-8,11-20,29-30H,6,9-10,21-22H2,1H3,(H,36,38)(H,37,39)(H2,35,40,41)/t29-,30-/m0/s1
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n/an/a 660n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against voltage-gated sodium channel Nav1.7 in voltage-ion-probe-reader (VIPR) assay


Bioorg Med Chem Lett 15: 1901-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.002
BindingDB Entry DOI: 10.7270/Q2HH6JMD
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50164039
PNG
((1S,2S)-Cyclopentane-1,2-dicarboxylic acid 1-[(bip...)
Show SMILES NS(=O)(=O)c1ccccc1-c1ccc(CNC(=O)[C@H]2CCC[C@@H]2C(=O)NCc2ccc(cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C33H33N3O4S/c34-41(39,40)31-12-5-4-9-28(31)27-19-15-24(16-20-27)22-36-33(38)30-11-6-10-29(30)32(37)35-21-23-13-17-26(18-14-23)25-7-2-1-3-8-25/h1-5,7-9,12-20,29-30H,6,10-11,21-22H2,(H,35,37)(H,36,38)(H2,34,39,40)/t29-,30-/m0/s1
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n/an/a 660n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against voltage-gated sodium channel Nav1.7 in voltage-ion-probe-reader (VIPR) assay


Bioorg Med Chem Lett 15: 1901-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.002
BindingDB Entry DOI: 10.7270/Q2HH6JMD
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50164075
PNG
((1S,2S)-Cyclopentane-1,2-dicarboxylic acid 1-[([2,...)
Show SMILES CN(Cc1ccc(cc1)-c1ccccc1S(N)(=O)=O)C(=O)[C@H]1CCC[C@@H]1C(=O)NCc1ccc(s1)-c1cccs1
Show InChI InChI=1S/C30H31N3O4S3/c1-33(19-20-11-13-21(14-12-20)23-6-2-3-10-28(23)40(31,36)37)30(35)25-8-4-7-24(25)29(34)32-18-22-15-16-27(39-22)26-9-5-17-38-26/h2-3,5-6,9-17,24-25H,4,7-8,18-19H2,1H3,(H,32,34)(H2,31,36,37)/t24-,25-/m0/s1
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n/an/a 760n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against voltage-gated sodium channel Nav1.7 in voltage-ion-probe-reader (VIPR) assay


Bioorg Med Chem Lett 15: 1901-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.002
BindingDB Entry DOI: 10.7270/Q2HH6JMD
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50164040
PNG
((1S,2S)-Cyclopentane-1,2-dicarboxylic acid 1-[meth...)
Show SMILES CN(Cc1ccc(cc1)-c1ccccc1S(N)(=O)=O)C(=O)[C@H]1CCC[C@@H]1C(=O)NCc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C29H30F3N3O5S/c1-35(18-20-9-13-21(14-10-20)23-5-2-3-8-26(23)41(33,38)39)28(37)25-7-4-6-24(25)27(36)34-17-19-11-15-22(16-12-19)40-29(30,31)32/h2-3,5,8-16,24-25H,4,6-7,17-18H2,1H3,(H,34,36)(H2,33,38,39)/t24-,25-/m0/s1
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n/an/a 830n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against voltage-gated sodium channel Nav1.7 in voltage-ion-probe-reader (VIPR) assay


Bioorg Med Chem Lett 15: 1901-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.002
BindingDB Entry DOI: 10.7270/Q2HH6JMD
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50164037
PNG
((1R,2R)-3-Methylene-cyclopropane-1,2-dicarboxylic ...)
Show SMILES NS(=O)(=O)c1ccccc1-c1ccc(CNC(=O)[C@@H]2[C@@H](C(=O)NCc3ccc(s3)-c3cccs3)C2=C)cc1
Show InChI InChI=1S/C28H25N3O4S3/c1-17-25(26(17)28(33)31-16-20-12-13-23(37-20)22-6-4-14-36-22)27(32)30-15-18-8-10-19(11-9-18)21-5-2-3-7-24(21)38(29,34)35/h2-14,25-26H,1,15-16H2,(H,30,32)(H,31,33)(H2,29,34,35)/t25-,26-/m0/s1
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n/an/a 840n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against voltage-gated sodium channel Nav1.7 in voltage-ion-probe-reader (VIPR) assay


Bioorg Med Chem Lett 15: 1901-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.002
BindingDB Entry DOI: 10.7270/Q2HH6JMD
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50164038
PNG
(CHEMBL183432 | N-[2,2'']Bithiophenyl-5-ylmethyl-N'...)
Show SMILES NS(=O)(=O)c1ccccc1-c1ccc(CNC(=O)CC(=O)NCc2ccc(s2)-c2cccs2)cc1
Show InChI InChI=1S/C25H23N3O4S3/c26-35(31,32)23-6-2-1-4-20(23)18-9-7-17(8-10-18)15-27-24(29)14-25(30)28-16-19-11-12-22(34-19)21-5-3-13-33-21/h1-13H,14-16H2,(H,27,29)(H,28,30)(H2,26,31,32)
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n/an/a 860n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against voltage-gated sodium channel Nav1.7 in voltage-ion-probe-reader (VIPR) assay


Bioorg Med Chem Lett 15: 1901-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.002
BindingDB Entry DOI: 10.7270/Q2HH6JMD
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50164073
PNG
((1S,2S)-Cyclopentane-1,2-dicarboxylic acid 1-[(2''...)
Show SMILES NS(=O)(=O)c1ccccc1-c1ccc(CNC(=O)[C@H]2CCC[C@@H]2C(=O)NCc2cccc(OC(F)(F)F)c2)cc1
Show InChI InChI=1S/C28H28F3N3O5S/c29-28(30,31)39-21-6-3-5-19(15-21)17-34-27(36)24-9-4-8-23(24)26(35)33-16-18-11-13-20(14-12-18)22-7-1-2-10-25(22)40(32,37)38/h1-3,5-7,10-15,23-24H,4,8-9,16-17H2,(H,33,35)(H,34,36)(H2,32,37,38)/t23-,24-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against voltage-gated sodium channel Nav1.7 in voltage-ion-probe-reader (VIPR) assay


Bioorg Med Chem Lett 15: 1901-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.002
BindingDB Entry DOI: 10.7270/Q2HH6JMD
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50164050
PNG
((1S,2S)-Cyclopentane-1,2-dicarboxylic acid 1-[meth...)
Show SMILES CN(Cc1ccc(cc1)-c1ccccc1S(N)(=O)=O)C(=O)[C@H]1CCC[C@@H]1C(=O)NCc1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C29H30F3N3O5S/c1-35(18-19-12-14-21(15-13-19)23-8-2-3-11-26(23)41(33,38)39)28(37)25-10-5-9-24(25)27(36)34-17-20-6-4-7-22(16-20)40-29(30,31)32/h2-4,6-8,11-16,24-25H,5,9-10,17-18H2,1H3,(H,34,36)(H2,33,38,39)/t24-,25-/m0/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against voltage-gated sodium channel Nav1.7 in voltage-ion-probe-reader (VIPR) assay


Bioorg Med Chem Lett 15: 1901-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.002
BindingDB Entry DOI: 10.7270/Q2HH6JMD
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50164070
PNG
((1S,2S)-2-[(2''-Trifluoromethyl-biphenyl-4-ylmethy...)
Show SMILES FC(F)(F)c1ccccc1-c1ccc(CN[C@H]2CCC[C@@H]2C(=O)NCc2ccc(s2)-c2cccs2)cc1
Show InChI InChI=1S/C29H27F3N2OS2/c30-29(31,32)24-7-2-1-5-22(24)20-12-10-19(11-13-20)17-33-25-8-3-6-23(25)28(35)34-18-21-14-15-27(37-21)26-9-4-16-36-26/h1-2,4-5,7,9-16,23,25,33H,3,6,8,17-18H2,(H,34,35)/t23-,25-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against voltage-gated sodium channel Nav1.7 in voltage-ion-probe-reader (VIPR) assay


Bioorg Med Chem Lett 15: 1901-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.002
BindingDB Entry DOI: 10.7270/Q2HH6JMD
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50164046
PNG
((1S,2S)-Cyclohexane-1,2-dicarboxylic acid 1-[([2,2...)
Show SMILES NS(=O)(=O)c1ccccc1-c1ccc(CNC(=O)[C@H]2CCCC[C@@H]2C(=O)NCc2ccc(s2)-c2cccs2)cc1
Show InChI InChI=1S/C30H31N3O4S3/c31-40(36,37)28-10-4-3-6-23(28)21-13-11-20(12-14-21)18-32-29(34)24-7-1-2-8-25(24)30(35)33-19-22-15-16-27(39-22)26-9-5-17-38-26/h3-6,9-17,24-25H,1-2,7-8,18-19H2,(H,32,34)(H,33,35)(H2,31,36,37)/t24-,25-/m0/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against voltage-gated sodium channel Nav1.7 in voltage-ion-probe-reader (VIPR) assay


Bioorg Med Chem Lett 15: 1901-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.002
BindingDB Entry DOI: 10.7270/Q2HH6JMD
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50164048
PNG
((1S,2S)-Cyclopentane-1,2-dicarboxylic acid 1-[([2,...)
Show SMILES CC(NC(=O)[C@H]1CCC[C@@H]1C(=O)NCc1ccc(s1)-c1cccs1)c1ccc(cc1)-c1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C30H31N3O4S3/c1-19(20-11-13-21(14-12-20)23-6-2-3-10-28(23)40(31,36)37)33-30(35)25-8-4-7-24(25)29(34)32-18-22-15-16-27(39-22)26-9-5-17-38-26/h2-3,5-6,9-17,19,24-25H,4,7-8,18H2,1H3,(H,32,34)(H,33,35)(H2,31,36,37)/t19?,24-,25-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against voltage-gated sodium channel Nav1.7 in voltage-ion-probe-reader (VIPR) assay


Bioorg Med Chem Lett 15: 1901-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.002
BindingDB Entry DOI: 10.7270/Q2HH6JMD
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50164028
PNG
(CHEMBL182564 | N-[2,2'']Bithiophenyl-5-ylmethyl-2,...)
Show SMILES CC(C(C)C(=O)NCc1ccc(cc1)-c1ccccc1S(N)(=O)=O)C(=O)NCc1ccc(s1)-c1cccs1
Show InChI InChI=1S/C28H29N3O4S3/c1-18(19(2)28(33)31-17-22-13-14-25(37-22)24-7-5-15-36-24)27(32)30-16-20-9-11-21(12-10-20)23-6-3-4-8-26(23)38(29,34)35/h3-15,18-19H,16-17H2,1-2H3,(H,30,32)(H,31,33)(H2,29,34,35)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against voltage-gated sodium channel Nav1.7 in voltage-ion-probe-reader (VIPR) assay


Bioorg Med Chem Lett 15: 1901-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.002
BindingDB Entry DOI: 10.7270/Q2HH6JMD
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50164060
PNG
((1S,2R)-Cyclopentane-1,2-dicarboxylic acid 1-[([2,...)
Show SMILES NS(=O)(=O)c1ccccc1-c1ccc(CNC(=O)[C@H]2CCC[C@H]2C(=O)NCc2ccc(s2)-c2cccs2)cc1
Show InChI InChI=1S/C29H29N3O4S3/c30-39(35,36)27-9-2-1-5-22(27)20-12-10-19(11-13-20)17-31-28(33)23-6-3-7-24(23)29(34)32-18-21-14-15-26(38-21)25-8-4-16-37-25/h1-2,4-5,8-16,23-24H,3,6-7,17-18H2,(H,31,33)(H,32,34)(H2,30,35,36)/t23-,24+/m0/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against voltage-gated sodium channel Nav1.7 in voltage-ion-probe-reader (VIPR) assay


Bioorg Med Chem Lett 15: 1901-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.002
BindingDB Entry DOI: 10.7270/Q2HH6JMD
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50164042
PNG
((1S,2S)-2-[(2''-Methyl-biphenyl-4-ylmethyl)-amino]...)
Show SMILES Cc1ccccc1-c1ccc(CN[C@H]2CCC[C@@H]2C(=O)NCc2ccc(s2)-c2cccs2)cc1
Show InChI InChI=1S/C29H30N2OS2/c1-20-6-2-3-7-24(20)22-13-11-21(12-14-22)18-30-26-9-4-8-25(26)29(32)31-19-23-15-16-28(34-23)27-10-5-17-33-27/h2-3,5-7,10-17,25-26,30H,4,8-9,18-19H2,1H3,(H,31,32)/t25-,26-/m0/s1
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n/an/a 2.10E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against voltage-gated sodium channel Nav1.7 in voltage-ion-probe-reader (VIPR) assay


Bioorg Med Chem Lett 15: 1901-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.002
BindingDB Entry DOI: 10.7270/Q2HH6JMD
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50164045
PNG
((1S,2S)-Cyclopentane-1,2-dicarboxylic acid 1-[(2''...)
Show SMILES Cc1ccccc1-c1ccc(CNC(=O)[C@H]2CCC[C@@H]2C(=O)NCc2ccc(cc2)-c2ccccc2S(N)(=O)=O)cc1
Show InChI InChI=1S/C34H35N3O4S/c1-23-7-2-3-8-28(23)26-17-13-24(14-18-26)21-36-33(38)30-10-6-11-31(30)34(39)37-22-25-15-19-27(20-16-25)29-9-4-5-12-32(29)42(35,40)41/h2-5,7-9,12-20,30-31H,6,10-11,21-22H2,1H3,(H,36,38)(H,37,39)(H2,35,40,41)/t30-,31-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against voltage-gated sodium channel Nav1.7 in voltage-ion-probe-reader (VIPR) assay


Bioorg Med Chem Lett 15: 1901-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.002
BindingDB Entry DOI: 10.7270/Q2HH6JMD
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50164058
PNG
(CHEMBL360307 | N-[2,2'']Bithiophenyl-5-ylmethyl-N'...)
Show SMILES NS(=O)(=O)c1ccccc1-c1ccc(CNC(=O)c2ccccc2C(=O)NCc2ccc(s2)-c2cccs2)cc1
Show InChI InChI=1S/C30H25N3O4S3/c31-40(36,37)28-10-4-3-6-23(28)21-13-11-20(12-14-21)18-32-29(34)24-7-1-2-8-25(24)30(35)33-19-22-15-16-27(39-22)26-9-5-17-38-26/h1-17H,18-19H2,(H,32,34)(H,33,35)(H2,31,36,37)
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n/an/a 2.20E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against voltage-gated sodium channel Nav1.7 in voltage-ion-probe-reader (VIPR) assay


Bioorg Med Chem Lett 15: 1901-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.002
BindingDB Entry DOI: 10.7270/Q2HH6JMD
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50164032
PNG
(CHEMBL361169 | N*1*-[2,2'']Bithiophenyl-5-ylmethyl...)
Show SMILES CC(C)(CC(=O)NCc1ccc(cc1)-c1ccccc1S(N)(=O)=O)C(=O)NCc1ccc(s1)-c1cccs1
Show InChI InChI=1S/C28H29N3O4S3/c1-28(2,27(33)31-18-21-13-14-24(37-21)23-7-5-15-36-23)16-26(32)30-17-19-9-11-20(12-10-19)22-6-3-4-8-25(22)38(29,34)35/h3-15H,16-18H2,1-2H3,(H,30,32)(H,31,33)(H2,29,34,35)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.30E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against voltage-gated sodium channel Nav1.7 in voltage-ion-probe-reader (VIPR) assay


Bioorg Med Chem Lett 15: 1901-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.002
BindingDB Entry DOI: 10.7270/Q2HH6JMD
More data for this
Ligand-Target Pair
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