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PubMed code 17588748

Compile data set for download or QSAR
Found 46 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))
BDBM50216671
PNG
(CHEMBL247828 | tert-butyl (R)-1-((R)-1-isopropyl-2...)
Show SMILES CC(C)N1c2ccccc2CC[C@@H](NC(=O)[C@@H](Cc2ccccc2OC(F)(F)F)NC(=O)OC(C)(C)C)C1=O
Show InChI InChI=1S/C28H34F3N3O5/c1-17(2)34-22-12-8-6-10-18(22)14-15-20(25(34)36)32-24(35)21(33-26(37)39-27(3,4)5)16-19-11-7-9-13-23(19)38-28(29,30)31/h6-13,17,20-21H,14-16H2,1-5H3,(H,32,35)(H,33,37)/t20-,21-/m1/s1
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40n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at human inactive state Nav1.7 by whole cell electrophysiology


Bioorg Med Chem Lett 17: 4630-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.076
BindingDB Entry DOI: 10.7270/Q2HX1CCF
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50216643
PNG
(CHEMBL248009 | tert-butyl (R)-3-(3-fluorophenyl)-1...)
Show SMILES CC(C)N1c2ccccc2CC[C@@H](NC(=O)[C@@H](Cc2cccc(F)c2)NC(=O)OC(C)(C)C)C1=O
Show InChI InChI=1S/C27H34FN3O4/c1-17(2)31-23-12-7-6-10-19(23)13-14-21(25(31)33)29-24(32)22(30-26(34)35-27(3,4)5)16-18-9-8-11-20(28)15-18/h6-12,15,17,21-22H,13-14,16H2,1-5H3,(H,29,32)(H,30,34)/t21-,22-/m1/s1
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n/an/a 9n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Blockade of human Nav1.7 by FRET assay


Bioorg Med Chem Lett 17: 4630-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.076
BindingDB Entry DOI: 10.7270/Q2HX1CCF
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50216672
PNG
(CHEMBL248196 | tert-butyl (R)-3-(2,6-difluoropheny...)
Show SMILES CC(C)N1c2ccccc2CC[C@@H](NC(=O)[C@@H](Cc2c(F)cccc2F)NC(=O)OC(C)(C)C)C1=O
Show InChI InChI=1S/C27H33F2N3O4/c1-16(2)32-23-12-7-6-9-17(23)13-14-21(25(32)34)30-24(33)22(31-26(35)36-27(3,4)5)15-18-19(28)10-8-11-20(18)29/h6-12,16,21-22H,13-15H2,1-5H3,(H,30,33)(H,31,35)/t21-,22-/m1/s1
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n/an/a 14n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Blockade of human Nav1.7 by FRET assay


Bioorg Med Chem Lett 17: 4630-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.076
BindingDB Entry DOI: 10.7270/Q2HX1CCF
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50216659
PNG
(CHEMBL248195 | tert-butyl (R)-3-(2,5-difluoropheny...)
Show SMILES CC(C)N1c2ccccc2CC[C@@H](NC(=O)[C@@H](Cc2cc(F)ccc2F)NC(=O)OC(C)(C)C)C1=O
Show InChI InChI=1S/C27H33F2N3O4/c1-16(2)32-23-9-7-6-8-17(23)10-13-21(25(32)34)30-24(33)22(31-26(35)36-27(3,4)5)15-18-14-19(28)11-12-20(18)29/h6-9,11-12,14,16,21-22H,10,13,15H2,1-5H3,(H,30,33)(H,31,35)/t21-,22-/m1/s1
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n/an/a 23n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Blockade of human Nav1.7 by FRET assay


Bioorg Med Chem Lett 17: 4630-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.076
BindingDB Entry DOI: 10.7270/Q2HX1CCF
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50216642
PNG
(CHEMBL247829 | tert-butyl (R)-1-((S)-1-isopropyl-2...)
Show SMILES CC(C)N1c2ccccc2CC[C@H](NC(=O)[C@@H](Cc2ccccc2OC(F)(F)F)NC(=O)OC(C)(C)C)C1=O
Show InChI InChI=1S/C28H34F3N3O5/c1-17(2)34-22-12-8-6-10-18(22)14-15-20(25(34)36)32-24(35)21(33-26(37)39-27(3,4)5)16-19-11-7-9-13-23(19)38-28(29,30)31/h6-13,17,20-21H,14-16H2,1-5H3,(H,32,35)(H,33,37)/t20-,21+/m0/s1
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n/an/a 32n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Blockade of human Nav1.7 by FRET assay


Bioorg Med Chem Lett 17: 4630-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.076
BindingDB Entry DOI: 10.7270/Q2HX1CCF
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50216675
PNG
(CHEMBL247648 | tert-butyl (R)-3-(2-fluoro-6-(trifl...)
Show SMILES CC(C)N1c2ccccc2CC[C@@H](NC(=O)[C@@H](Cc2c(F)cccc2C(F)(F)F)NC(=O)OC(C)(C)C)C1=O
Show InChI InChI=1S/C28H33F4N3O4/c1-16(2)35-23-12-7-6-9-17(23)13-14-21(25(35)37)33-24(36)22(34-26(38)39-27(3,4)5)15-18-19(28(30,31)32)10-8-11-20(18)29/h6-12,16,21-22H,13-15H2,1-5H3,(H,33,36)(H,34,38)/t21-,22-/m1/s1
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n/an/a 32n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Blockade of human Nav1.7 by FRET assay


Bioorg Med Chem Lett 17: 4630-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.076
BindingDB Entry DOI: 10.7270/Q2HX1CCF
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50216671
PNG
(CHEMBL247828 | tert-butyl (R)-1-((R)-1-isopropyl-2...)
Show SMILES CC(C)N1c2ccccc2CC[C@@H](NC(=O)[C@@H](Cc2ccccc2OC(F)(F)F)NC(=O)OC(C)(C)C)C1=O
Show InChI InChI=1S/C28H34F3N3O5/c1-17(2)34-22-12-8-6-10-18(22)14-15-20(25(34)36)32-24(35)21(33-26(37)39-27(3,4)5)16-19-11-7-9-13-23(19)38-28(29,30)31/h6-13,17,20-21H,14-16H2,1-5H3,(H,32,35)(H,33,37)/t20-,21-/m1/s1
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n/an/a 35n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Blockade of human Nav1.7 by FRET assay


Bioorg Med Chem Lett 17: 4630-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.076
BindingDB Entry DOI: 10.7270/Q2HX1CCF
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50216644
PNG
(CHEMBL445940 | tert-butyl (R)-3-(2-fluorophenyl)-1...)
Show SMILES CC(C)N1c2ccccc2CC[C@@H](NC(=O)[C@@H](Cc2ccccc2F)NC(=O)OC(C)(C)C)C1=O
Show InChI InChI=1S/C27H34FN3O4/c1-17(2)31-23-13-9-7-10-18(23)14-15-21(25(31)33)29-24(32)22(30-26(34)35-27(3,4)5)16-19-11-6-8-12-20(19)28/h6-13,17,21-22H,14-16H2,1-5H3,(H,29,32)(H,30,34)/t21-,22-/m1/s1
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n/an/a 44n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Blockade of human Nav1.7 by FRET assay


Bioorg Med Chem Lett 17: 4630-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.076
BindingDB Entry DOI: 10.7270/Q2HX1CCF
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50216657
PNG
(CHEMBL391392 | tert-butyl (R)-1-((R)-1-isopropyl-2...)
Show SMILES CC(C)N1c2ccccc2CC[C@@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C1=O
Show InChI InChI=1S/C27H35N3O4/c1-18(2)30-23-14-10-9-13-20(23)15-16-21(25(30)32)28-24(31)22(17-19-11-7-6-8-12-19)29-26(33)34-27(3,4)5/h6-14,18,21-22H,15-17H2,1-5H3,(H,28,31)(H,29,33)/t21-,22-/m1/s1
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n/an/a 45n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Blockade of human Nav1.7 by FRET assay


Bioorg Med Chem Lett 17: 4630-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.076
BindingDB Entry DOI: 10.7270/Q2HX1CCF
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50216661
PNG
(CHEMBL247647 | tert-butyl (R)-3-(3-fluoro-2-(trifl...)
Show SMILES CC(C)N1c2ccccc2CC[C@@H](NC(=O)[C@@H](Cc2cccc(F)c2C(F)(F)F)NC(=O)OC(C)(C)C)C1=O
Show InChI InChI=1S/C28H33F4N3O4/c1-16(2)35-22-12-7-6-9-17(22)13-14-20(25(35)37)33-24(36)21(34-26(38)39-27(3,4)5)15-18-10-8-11-19(29)23(18)28(30,31)32/h6-12,16,20-21H,13-15H2,1-5H3,(H,33,36)(H,34,38)/t20-,21-/m1/s1
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n/an/a 65n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Blockade of human Nav1.7 by FRET assay


Bioorg Med Chem Lett 17: 4630-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.076
BindingDB Entry DOI: 10.7270/Q2HX1CCF
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50216668
PNG
(CHEMBL248424 | tert-butyl (R)-3-(4-fluorophenyl)-1...)
Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)OC(C)(C)C)C1=O)c1ccccc1
Show InChI InChI=1S/C30H31FN4O4/c1-30(2,3)39-29(38)32-23(18-19-14-16-21(31)17-15-19)27(36)34-26-28(37)35(4)24-13-9-8-12-22(24)25(33-26)20-10-6-5-7-11-20/h5-17,23,26H,18H2,1-4H3,(H,32,38)(H,34,36)/t23-,26+/m1/s1
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n/an/a 71n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Blockade of human Nav1.7 by FRET assay


Bioorg Med Chem Lett 17: 4630-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.076
BindingDB Entry DOI: 10.7270/Q2HX1CCF
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50216640
PNG
(CHEMBL393473 | tert-butyl (R)-1-((R)-1-(cyclopropy...)
Show SMILES CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H]1CCc2ccccc2N(CC2CC2)C1=O
Show InChI InChI=1S/C28H35N3O4/c1-28(2,3)35-27(34)30-23(17-19-9-5-4-6-10-19)25(32)29-22-16-15-21-11-7-8-12-24(21)31(26(22)33)18-20-13-14-20/h4-12,20,22-23H,13-18H2,1-3H3,(H,29,32)(H,30,34)/t22-,23-/m1/s1
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n/an/a 78n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Blockade of human Nav1.7 by FRET assay


Bioorg Med Chem Lett 17: 4630-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.076
BindingDB Entry DOI: 10.7270/Q2HX1CCF
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50216651
PNG
(CHEMBL248254 | tert-butyl (R)-3-(2-fluorophenyl)-1...)
Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)[C@@H](Cc2ccccc2F)NC(=O)OC(C)(C)C)C1=O)c1ccccc1
Show InChI InChI=1S/C30H31FN4O4/c1-30(2,3)39-29(38)32-23(18-20-14-8-10-16-22(20)31)27(36)34-26-28(37)35(4)24-17-11-9-15-21(24)25(33-26)19-12-6-5-7-13-19/h5-17,23,26H,18H2,1-4H3,(H,32,38)(H,34,36)/t23-,26+/m1/s1
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n/an/a 87n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Blockade of human Nav1.7 by FRET assay


Bioorg Med Chem Lett 17: 4630-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.076
BindingDB Entry DOI: 10.7270/Q2HX1CCF
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50216666
PNG
(CHEMBL399232 | tert-butyl (R)-3-(4-fluorophenyl)-1...)
Show SMILES CC(C)N1c2ccccc2CC[C@@H](NC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)OC(C)(C)C)C1=O
Show InChI InChI=1S/C27H34FN3O4/c1-17(2)31-23-9-7-6-8-19(23)12-15-21(25(31)33)29-24(32)22(30-26(34)35-27(3,4)5)16-18-10-13-20(28)14-11-18/h6-11,13-14,17,21-22H,12,15-16H2,1-5H3,(H,29,32)(H,30,34)/t21-,22-/m1/s1
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n/an/a 98n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Blockade of human Nav1.7 by FRET assay


Bioorg Med Chem Lett 17: 4630-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.076
BindingDB Entry DOI: 10.7270/Q2HX1CCF
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50216677
PNG
(CHEMBL400895 | tert-butyl (R)-1-((R)-1-methyl-2-ox...)
Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C1=O)c1ccccc1
Show InChI InChI=1S/C30H32N4O4/c1-30(2,3)38-29(37)31-23(19-20-13-7-5-8-14-20)27(35)33-26-28(36)34(4)24-18-12-11-17-22(24)25(32-26)21-15-9-6-10-16-21/h5-18,23,26H,19H2,1-4H3,(H,31,37)(H,33,35)/t23-,26+/m1/s1
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n/an/a 125n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Blockade of human Nav1.7 by FRET assay


Bioorg Med Chem Lett 17: 4630-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.076
BindingDB Entry DOI: 10.7270/Q2HX1CCF
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50216645
PNG
(CHEMBL400468 | tert-butyl (R)-1-((R)-1-isopropyl-2...)
Show SMILES CC(C)N1c2ccccc2CC[C@@H](NC(=O)[C@@H](Cc2ccccc2C(F)(F)F)NC(=O)OC(C)(C)C)C1=O
Show InChI InChI=1S/C28H34F3N3O4/c1-17(2)34-23-13-9-7-10-18(23)14-15-21(25(34)36)32-24(35)22(33-26(37)38-27(3,4)5)16-19-11-6-8-12-20(19)28(29,30)31/h6-13,17,21-22H,14-16H2,1-5H3,(H,32,35)(H,33,37)/t21-,22-/m1/s1
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n/an/a 137n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Blockade of human Nav1.7 by FRET assay


Bioorg Med Chem Lett 17: 4630-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.076
BindingDB Entry DOI: 10.7270/Q2HX1CCF
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50216639
PNG
(CHEMBL392882 | tert-butyl (R)-1-oxo-3-phenyl-1-((R...)
Show SMILES CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H]1CCc2ccccc2N(CC(F)(F)F)C1
Show InChI InChI=1S/C26H32F3N3O3/c1-25(2,3)35-24(34)31-21(15-18-9-5-4-6-10-18)23(33)30-20-14-13-19-11-7-8-12-22(19)32(16-20)17-26(27,28)29/h4-12,20-21H,13-17H2,1-3H3,(H,30,33)(H,31,34)/t20-,21-/m1/s1
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n/an/a 145n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Blockade of human Nav1.7 by FRET assay


Bioorg Med Chem Lett 17: 4630-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.076
BindingDB Entry DOI: 10.7270/Q2HX1CCF
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50216670
PNG
(CHEMBL394058 | benzyl (R)-1-((R)-1-methyl-2-oxo-5-...)
Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)OCc2ccccc2)C1=O)c1ccccc1
Show InChI InChI=1S/C33H30N4O4/c1-37-28-20-12-11-19-26(28)29(25-17-9-4-10-18-25)35-30(32(37)39)36-31(38)27(21-23-13-5-2-6-14-23)34-33(40)41-22-24-15-7-3-8-16-24/h2-20,27,30H,21-22H2,1H3,(H,34,40)(H,36,38)/t27-,30+/m1/s1
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n/an/a 150n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Blockade of human Nav1.7 by FRET assay


Bioorg Med Chem Lett 17: 4630-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.076
BindingDB Entry DOI: 10.7270/Q2HX1CCF
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50216655
PNG
(CHEMBL393472 | tert-butyl (R)-1-oxo-1-((R)-2-oxo-1...)
Show SMILES CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H]1CCc2ccccc2N(CC(F)(F)F)C1=O
Show InChI InChI=1S/C26H30F3N3O4/c1-25(2,3)36-24(35)31-20(15-17-9-5-4-6-10-17)22(33)30-19-14-13-18-11-7-8-12-21(18)32(23(19)34)16-26(27,28)29/h4-12,19-20H,13-16H2,1-3H3,(H,30,33)(H,31,35)/t19-,20-/m1/s1
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n/an/a 150n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Blockade of human Nav1.7 by FRET assay


Bioorg Med Chem Lett 17: 4630-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.076
BindingDB Entry DOI: 10.7270/Q2HX1CCF
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50216664
PNG
(CHEMBL391988 | tert-butyl (R)-1-((R)-1-methyl-2-ox...)
Show SMILES CN1c2ccccc2CC[C@@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C1=O
Show InChI InChI=1S/C25H31N3O4/c1-25(2,3)32-24(31)27-20(16-17-10-6-5-7-11-17)22(29)26-19-15-14-18-12-8-9-13-21(18)28(4)23(19)30/h5-13,19-20H,14-16H2,1-4H3,(H,26,29)(H,27,31)/t19-,20-/m1/s1
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n/an/a 192n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Blockade of human Nav1.7 by FRET assay


Bioorg Med Chem Lett 17: 4630-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.076
BindingDB Entry DOI: 10.7270/Q2HX1CCF
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50216662
PNG
(CHEMBL400488 | tert-butyl (S)-1-((R)-1-isopropyl-2...)
Show SMILES CC(C)N1c2ccccc2CC[C@@H](NC(=O)[C@H](Cc2ccccc2OC(F)(F)F)NC(=O)OC(C)(C)C)C1=O
Show InChI InChI=1S/C28H34F3N3O5/c1-17(2)34-22-12-8-6-10-18(22)14-15-20(25(34)36)32-24(35)21(33-26(37)39-27(3,4)5)16-19-11-7-9-13-23(19)38-28(29,30)31/h6-13,17,20-21H,14-16H2,1-5H3,(H,32,35)(H,33,37)/t20-,21+/m1/s1
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n/an/a 214n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Blockade of human Nav1.7 by FRET assay


Bioorg Med Chem Lett 17: 4630-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.076
BindingDB Entry DOI: 10.7270/Q2HX1CCF
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50216673
PNG
(CHEMBL246195 | tert-butyl (R)-1-((R)-1-methyl-2-ox...)
Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)[C@@H](CCc2ccccc2)NC(=O)OC(C)(C)C)C1=O)c1ccccc1
Show InChI InChI=1S/C31H34N4O4/c1-31(2,3)39-30(38)32-24(20-19-21-13-7-5-8-14-21)28(36)34-27-29(37)35(4)25-18-12-11-17-23(25)26(33-27)22-15-9-6-10-16-22/h5-18,24,27H,19-20H2,1-4H3,(H,32,38)(H,34,36)/t24-,27+/m1/s1
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n/an/a 238n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Blockade of human Nav1.7 by FRET assay


Bioorg Med Chem Lett 17: 4630-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.076
BindingDB Entry DOI: 10.7270/Q2HX1CCF
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50216658
PNG
(CHEMBL245598 | tert-butyl (R)-1-((R)-1-isopropyl-2...)
Show SMILES CC(C)N1c2ccccc2CC[C@@H](NC(=O)[C@@H](Cc2cccc(c2)C(F)(F)F)NC(=O)OC(C)(C)C)C1=O
Show InChI InChI=1S/C28H34F3N3O4/c1-17(2)34-23-12-7-6-10-19(23)13-14-21(25(34)36)32-24(35)22(33-26(37)38-27(3,4)5)16-18-9-8-11-20(15-18)28(29,30)31/h6-12,15,17,21-22H,13-14,16H2,1-5H3,(H,32,35)(H,33,37)/t21-,22-/m1/s1
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n/an/a 295n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Blockade of human Nav1.7 by FRET assay


Bioorg Med Chem Lett 17: 4630-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.076
BindingDB Entry DOI: 10.7270/Q2HX1CCF
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50216646
PNG
(CHEMBL398873 | tert-butyl (R)-2-((R)-1-methyl-2-ox...)
Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)c2ccccc2)C1=O)c1ccccc1
Show InChI InChI=1S/C29H30N4O4/c1-29(2,3)37-28(36)31-24(20-15-9-6-10-16-20)26(34)32-25-27(35)33(4)22-18-12-11-17-21(22)23(30-25)19-13-7-5-8-14-19/h5-18,24-25H,1-4H3,(H,31,36)(H,32,34)/t24-,25+/m1/s1
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n/an/a 375n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Blockade of human Nav1.7 by FRET assay


Bioorg Med Chem Lett 17: 4630-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.076
BindingDB Entry DOI: 10.7270/Q2HX1CCF
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50216669
PNG
(2,2-dimethyl-N-[(R)-1-((R)-1-methyl-2-oxo-5-phenyl...)
Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)C(C)(C)C)C1=O)c1ccccc1
Show InChI InChI=1S/C30H32N4O3/c1-30(2,3)29(37)31-23(19-20-13-7-5-8-14-20)27(35)33-26-28(36)34(4)24-18-12-11-17-22(24)25(32-26)21-15-9-6-10-16-21/h5-18,23,26H,19H2,1-4H3,(H,31,37)(H,33,35)/t23-,26+/m1/s1
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n/an/a 380n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Blockade of human Nav1.7 by FRET assay


Bioorg Med Chem Lett 17: 4630-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.076
BindingDB Entry DOI: 10.7270/Q2HX1CCF
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50216656
PNG
(CHEMBL398946 | adamantane-1-carboxylic acid [(R)-1...)
Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)C23CC4CC(CC(C4)C2)C3)C1=O)c1ccccc1
Show InChI InChI=1S/C36H38N4O3/c1-40-30-15-9-8-14-28(30)31(27-12-6-3-7-13-27)38-32(34(40)42)39-33(41)29(19-23-10-4-2-5-11-23)37-35(43)36-20-24-16-25(21-36)18-26(17-24)22-36/h2-15,24-26,29,32H,16-22H2,1H3,(H,37,43)(H,39,41)/t24?,25?,26?,29-,32+,36?/m1/s1
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n/an/a 420n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Blockade of human Nav1.7 by FRET assay


Bioorg Med Chem Lett 17: 4630-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.076
BindingDB Entry DOI: 10.7270/Q2HX1CCF
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50216653
PNG
(CHEMBL248430 | tert-butyl (R)-1-((R)-1-methyl-2-ox...)
Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)[C@@H](Cc2cscn2)NC(=O)OC(C)(C)C)C1=O)c1ccccc1
Show InChI InChI=1S/C27H29N5O4S/c1-27(2,3)36-26(35)29-20(14-18-15-37-16-28-18)24(33)31-23-25(34)32(4)21-13-9-8-12-19(21)22(30-23)17-10-6-5-7-11-17/h5-13,15-16,20,23H,14H2,1-4H3,(H,29,35)(H,31,33)/t20-,23+/m1/s1
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n/an/a 684n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Blockade of human Nav1.7 by FRET assay


Bioorg Med Chem Lett 17: 4630-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.076
BindingDB Entry DOI: 10.7270/Q2HX1CCF
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50216654
PNG
(CHEMBL397518 | tert-butyl (R)-1-((R)-2-oxo-1-(2,2,...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](CN[C@@H]1CCc2ccccc2N(CC(F)(F)F)C1=O)Cc1ccccc1
Show InChI InChI=1S/C26H32F3N3O3/c1-25(2,3)35-24(34)31-20(15-18-9-5-4-6-10-18)16-30-21-14-13-19-11-7-8-12-22(19)32(23(21)33)17-26(27,28)29/h4-12,20-21,30H,13-17H2,1-3H3,(H,31,34)/t20-,21-/m1/s1
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n/an/a 885n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Blockade of human Nav1.7 by FRET assay


Bioorg Med Chem Lett 17: 4630-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.076
BindingDB Entry DOI: 10.7270/Q2HX1CCF
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50216667
PNG
(CHEMBL246425 | tert-butyl (R)-1-((R)-1-methyl-2-ox...)
Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)[C@@H](Cc2cccnc2)NC(=O)OC(C)(C)C)C1=O)c1ccccc1
Show InChI InChI=1S/C29H31N5O4/c1-29(2,3)38-28(37)31-22(17-19-11-10-16-30-18-19)26(35)33-25-27(36)34(4)23-15-9-8-14-21(23)24(32-25)20-12-6-5-7-13-20/h5-16,18,22,25H,17H2,1-4H3,(H,31,37)(H,33,35)/t22-,25+/m1/s1
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n/an/a 978n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Blockade of human Nav1.7 by FRET assay


Bioorg Med Chem Lett 17: 4630-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.076
BindingDB Entry DOI: 10.7270/Q2HX1CCF
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50216665
PNG
(CHEMBL247640 | N-((R)-1-((R)-1-methyl-2-oxo-5-phen...)
Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)C2CC2)C1=O)c1ccccc1
Show InChI InChI=1S/C29H28N4O3/c1-33-24-15-9-8-14-22(24)25(20-12-6-3-7-13-20)31-26(29(33)36)32-28(35)23(30-27(34)21-16-17-21)18-19-10-4-2-5-11-19/h2-15,21,23,26H,16-18H2,1H3,(H,30,34)(H,32,35)/t23-,26+/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Blockade of human Nav1.7 by FRET assay


Bioorg Med Chem Lett 17: 4630-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.076
BindingDB Entry DOI: 10.7270/Q2HX1CCF
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50216660
PNG
(CHEMBL247823 | tert-butyl (R)-1-((R)-1-methyl-2,3,...)
Show SMILES CN1C[C@@H](CCc2ccccc12)NC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C25H33N3O3/c1-25(2,3)31-24(30)27-21(16-18-10-6-5-7-11-18)23(29)26-20-15-14-19-12-8-9-13-22(19)28(4)17-20/h5-13,20-21H,14-17H2,1-4H3,(H,26,29)(H,27,30)/t20-,21-/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Blockade of human Nav1.7 by FRET assay


Bioorg Med Chem Lett 17: 4630-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.076
BindingDB Entry DOI: 10.7270/Q2HX1CCF
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50216638
PNG
(CHEMBL246194 | tert-butyl (R)-3-cyclohexyl-1-((R)-...)
Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)[C@@H](CC2CCCCC2)NC(=O)OC(C)(C)C)C1=O)c1ccccc1
Show InChI InChI=1S/C30H38N4O4/c1-30(2,3)38-29(37)31-23(19-20-13-7-5-8-14-20)27(35)33-26-28(36)34(4)24-18-12-11-17-22(24)25(32-26)21-15-9-6-10-16-21/h6,9-12,15-18,20,23,26H,5,7-8,13-14,19H2,1-4H3,(H,31,37)(H,33,35)/t23-,26+/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Blockade of human Nav1.7 by FRET assay


Bioorg Med Chem Lett 17: 4630-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.076
BindingDB Entry DOI: 10.7270/Q2HX1CCF
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50216637
PNG
((R)-N-((R)-1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-...)
Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)[C@@H](Cc2ccccc2)NS(C)(=O)=O)C1=O)c1ccccc1
Show InChI InChI=1S/C26H26N4O4S/c1-30-22-16-10-9-15-20(22)23(19-13-7-4-8-14-19)27-24(26(30)32)28-25(31)21(29-35(2,33)34)17-18-11-5-3-6-12-18/h3-16,21,24,29H,17H2,1-2H3,(H,28,31)/t21-,24+/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Blockade of human Nav1.7 by FRET assay


Bioorg Med Chem Lett 17: 4630-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.076
BindingDB Entry DOI: 10.7270/Q2HX1CCF
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50216641
PNG
(CHEMBL245599 | tert-butyl (R)-1-((R)-1-isopropyl-2...)
Show SMILES CC(C)N1c2ccccc2CC[C@@H](NC(=O)[C@@H](Cc2ccc(cc2)C(F)(F)F)NC(=O)OC(C)(C)C)C1=O
Show InChI InChI=1S/C28H34F3N3O4/c1-17(2)34-23-9-7-6-8-19(23)12-15-21(25(34)36)32-24(35)22(33-26(37)38-27(3,4)5)16-18-10-13-20(14-11-18)28(29,30)31/h6-11,13-14,17,21-22H,12,15-16H2,1-5H3,(H,32,35)(H,33,37)/t21-,22-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Blockade of human Nav1.7 by FRET assay


Bioorg Med Chem Lett 17: 4630-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.076
BindingDB Entry DOI: 10.7270/Q2HX1CCF
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50061212
PNG
((R)-N-(1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benz...)
Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)CCc2ccccc2)C1=O)c1ccccc1
Show InChI InChI=1S/C25H23N3O2/c1-28-21-15-9-8-14-20(21)23(19-12-6-3-7-13-19)27-24(25(28)30)26-22(29)17-16-18-10-4-2-5-11-18/h2-15,24H,16-17H2,1H3,(H,26,29)/t24-/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Blockade of human Nav1.7 by FRET assay


Bioorg Med Chem Lett 17: 4630-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.076
BindingDB Entry DOI: 10.7270/Q2HX1CCF
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50216648
PNG
(CHEMBL247999 | tert-butyl (R)-1-((R)-1-methyl-2-ox...)
Show SMILES CN1CCCC[C@@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C1=O
Show InChI InChI=1S/C21H31N3O4/c1-21(2,3)28-20(27)23-17(14-15-10-6-5-7-11-15)18(25)22-16-12-8-9-13-24(4)19(16)26/h5-7,10-11,16-17H,8-9,12-14H2,1-4H3,(H,22,25)(H,23,27)/t16-,17-/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Blockade of human Nav1.7 by FRET assay


Bioorg Med Chem Lett 17: 4630-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.076
BindingDB Entry DOI: 10.7270/Q2HX1CCF
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50216649
PNG
(CHEMBL247592 | tert-butyl methyl((R)-1-((R)-1-meth...)
Show SMILES CN([C@H](Cc1ccccc1)C(=O)N[C@@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O)C(=O)OC(C)(C)C
Show InChI InChI=1S/C31H34N4O4/c1-31(2,3)39-30(38)35(5)25(20-21-14-8-6-9-15-21)28(36)33-27-29(37)34(4)24-19-13-12-18-23(24)26(32-27)22-16-10-7-11-17-22/h6-19,25,27H,20H2,1-5H3,(H,33,36)/t25-,27+/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Blockade of human Nav1.7 by FRET assay


Bioorg Med Chem Lett 17: 4630-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.076
BindingDB Entry DOI: 10.7270/Q2HX1CCF
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50019192
PNG
((R)-2-amino-N-((R)-1-methyl-2-oxo-5-phenyl-2,3-dih...)
Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)[C@H](N)Cc2ccccc2)C1=O)c1ccccc1
Show InChI InChI=1S/C25H24N4O2/c1-29-21-15-9-8-14-19(21)22(18-12-6-3-7-13-18)27-23(25(29)31)28-24(30)20(26)16-17-10-4-2-5-11-17/h2-15,20,23H,16,26H2,1H3,(H,28,30)/t20-,23+/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Blockade of human Nav1.7 by FRET assay


Bioorg Med Chem Lett 17: 4630-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.076
BindingDB Entry DOI: 10.7270/Q2HX1CCF
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50216650
PNG
((R)-2-(3,3-dimethylbutylamino)-N-((R)-1-methyl-2-o...)
Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)[C@@H](Cc2ccccc2)NCCC(C)(C)C)C1=O)c1ccccc1
Show InChI InChI=1S/C31H36N4O2/c1-31(2,3)19-20-32-25(21-22-13-7-5-8-14-22)29(36)34-28-30(37)35(4)26-18-12-11-17-24(26)27(33-28)23-15-9-6-10-16-23/h5-18,25,28,32H,19-21H2,1-4H3,(H,34,36)/t25-,28+/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Blockade of human Nav1.7 by FRET assay


Bioorg Med Chem Lett 17: 4630-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.076
BindingDB Entry DOI: 10.7270/Q2HX1CCF
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50216674
PNG
((R)-N-((R)-1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-...)
Show SMILES CC(C)S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O
Show InChI InChI=1S/C28H30N4O4S/c1-19(2)37(35,36)31-23(18-20-12-6-4-7-13-20)27(33)30-26-28(34)32(3)24-17-11-10-16-22(24)25(29-26)21-14-8-5-9-15-21/h4-17,19,23,26,31H,18H2,1-3H3,(H,30,33)/t23-,26+/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Blockade of human Nav1.7 by FRET assay


Bioorg Med Chem Lett 17: 4630-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.076
BindingDB Entry DOI: 10.7270/Q2HX1CCF
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50216676
PNG
(CHEMBL247639 | methyl (R)-1-((R)-1-methyl-2-oxo-5-...)
Show SMILES COC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O
Show InChI InChI=1S/C27H26N4O4/c1-31-22-16-10-9-15-20(22)23(19-13-7-4-8-14-19)29-24(26(31)33)30-25(32)21(28-27(34)35-2)17-18-11-5-3-6-12-18/h3-16,21,24H,17H2,1-2H3,(H,28,34)(H,30,32)/t21-,24+/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Blockade of human Nav1.7 by FRET assay


Bioorg Med Chem Lett 17: 4630-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.076
BindingDB Entry DOI: 10.7270/Q2HX1CCF
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50216647
PNG
(CHEMBL398355 | tert-butyl (R)-3-(1H-imidazol-4-yl)...)
Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)OC(C)(C)C)C1=O)c1ccccc1
Show InChI InChI=1S/C27H30N6O4/c1-27(2,3)37-26(36)30-20(14-18-15-28-16-29-18)24(34)32-23-25(35)33(4)21-13-9-8-12-19(21)22(31-23)17-10-6-5-7-11-17/h5-13,15-16,20,23H,14H2,1-4H3,(H,28,29)(H,30,36)(H,32,34)/t20-,23+/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Blockade of human Nav1.7 by FRET assay


Bioorg Med Chem Lett 17: 4630-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.076
BindingDB Entry DOI: 10.7270/Q2HX1CCF
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50216652
PNG
(CHEMBL247656 | tert-butyl (R)-1-((R)-1-methyl-2-ox...)
Show SMILES C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O
Show InChI InChI=1S/C24H28N4O4/c1-15(25-23(31)32-24(2,3)4)21(29)27-20-22(30)28(5)18-14-10-9-13-17(18)19(26-20)16-11-7-6-8-12-16/h6-15,20H,1-5H3,(H,25,31)(H,27,29)/t15-,20+/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Blockade of human Nav1.7 by FRET assay


Bioorg Med Chem Lett 17: 4630-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.076
BindingDB Entry DOI: 10.7270/Q2HX1CCF
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50216663
PNG
((R)-N-((R)-1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-...)
Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccccc2)C1=O)c1ccccc1
Show InChI InChI=1S/C31H28N4O4S/c1-35-27-20-12-11-19-25(27)28(23-15-7-3-8-16-23)32-29(31(35)37)33-30(36)26(21-22-13-5-2-6-14-22)34-40(38,39)24-17-9-4-10-18-24/h2-20,26,29,34H,21H2,1H3,(H,33,36)/t26-,29+/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Blockade of human Nav1.7 by FRET assay


Bioorg Med Chem Lett 17: 4630-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.076
BindingDB Entry DOI: 10.7270/Q2HX1CCF
More data for this
Ligand-Target Pair
Calcium channel (Type L)


(HUMAN)
BDBM50216642
PNG
(CHEMBL247829 | tert-butyl (R)-1-((S)-1-isopropyl-2...)
Show SMILES CC(C)N1c2ccccc2CC[C@H](NC(=O)[C@@H](Cc2ccccc2OC(F)(F)F)NC(=O)OC(C)(C)C)C1=O
Show InChI InChI=1S/C28H34F3N3O5/c1-17(2)34-22-12-8-6-10-18(22)14-15-20(25(34)36)32-24(35)21(33-26(37)39-27(3,4)5)16-19-11-7-9-13-23(19)38-28(29,30)31/h6-13,17,20-21H,14-16H2,1-5H3,(H,32,35)(H,33,37)/t20-,21+/m0/s1
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n/an/a 1.73E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]diltiazem from human Cav1.2 expressed in HEK293 cells


Bioorg Med Chem Lett 17: 4630-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.076
BindingDB Entry DOI: 10.7270/Q2HX1CCF
More data for this
Ligand-Target Pair
Calcium channel (Type L)


(HUMAN)
BDBM50216671
PNG
(CHEMBL247828 | tert-butyl (R)-1-((R)-1-isopropyl-2...)
Show SMILES CC(C)N1c2ccccc2CC[C@@H](NC(=O)[C@@H](Cc2ccccc2OC(F)(F)F)NC(=O)OC(C)(C)C)C1=O
Show InChI InChI=1S/C28H34F3N3O5/c1-17(2)34-22-12-8-6-10-18(22)14-15-20(25(34)36)32-24(35)21(33-26(37)39-27(3,4)5)16-19-11-7-9-13-23(19)38-28(29,30)31/h6-13,17,20-21H,14-16H2,1-5H3,(H,32,35)(H,33,37)/t20-,21-/m1/s1
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n/an/a 3.50E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]diltiazem from human Cav1.2 expressed in HEK293 cells


Bioorg Med Chem Lett 17: 4630-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.076
BindingDB Entry DOI: 10.7270/Q2HX1CCF
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%