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PubMed code 17889534

Compile data set for download or QSAR
Found 24 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))
BDBM50223140
PNG
(CHEMBL429828 | N-((R)-1-((R)-1-isopropyl-2-oxo-2,3...)
Show SMILES CC(C)N1c2ccccc2CC[C@@H](NC(=O)[C@@H](Cc2ccccc2OC(F)(F)F)NC(=O)c2ccccc2)C1=O
Show InChI InChI=1S/C30H30F3N3O4/c1-19(2)36-25-14-8-6-10-20(25)16-17-23(29(36)39)34-28(38)24(35-27(37)21-11-4-3-5-12-21)18-22-13-7-9-15-26(22)40-30(31,32)33/h3-15,19,23-24H,16-18H2,1-2H3,(H,34,38)(H,35,37)/t23-,24-/m1/s1
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n/an/a 22n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human sodium channel Nav1.7 by FRET assay


Bioorg Med Chem Lett 17: 6172-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.032
BindingDB Entry DOI: 10.7270/Q2X92B00
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50223136
PNG
(CHEMBL249360 | N-((R)-1-((R)-7-chloro-1-isopropyl-...)
Show SMILES CC(C)N1c2ccc(Cl)cc2CC[C@@H](NC(=O)[C@@H](Cc2ccccc2F)NC(=O)c2ccc(F)cc2C(F)(F)F)C1=O
Show InChI InChI=1S/C30H27ClF5N3O3/c1-16(2)39-26-12-8-19(31)13-18(26)7-11-24(29(39)42)37-28(41)25(14-17-5-3-4-6-23(17)33)38-27(40)21-10-9-20(32)15-22(21)30(34,35)36/h3-6,8-10,12-13,15-16,24-25H,7,11,14H2,1-2H3,(H,37,41)(H,38,40)/t24-,25-/m1/s1
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n/an/a 30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human sodium channel Nav1.7 by FRET assay


Bioorg Med Chem Lett 17: 6172-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.032
BindingDB Entry DOI: 10.7270/Q2X92B00
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
Inhibition of human sodium channel Nav1.7 by FRET assay


Bioorg Med Chem Lett 17: 6172-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.032
BindingDB Entry DOI: 10.7270/Q2X92B00
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50223139
PNG
(CHEMBL249358 | tert-butyl (R)-1-((R)-5-isopropyl-4...)
Show SMILES CC(C)N1c2ccccc2OC[C@@H](NC(=O)[C@@H](Cc2ccccc2OC(F)(F)F)NC(=O)OC(C)(C)C)C1=O
Show InChI InChI=1S/C27H32F3N3O6/c1-16(2)33-20-11-7-9-13-22(20)37-15-19(24(33)35)31-23(34)18(32-25(36)39-26(3,4)5)14-17-10-6-8-12-21(17)38-27(28,29)30/h6-13,16,18-19H,14-15H2,1-5H3,(H,31,34)(H,32,36)/t18-,19-/m1/s1
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n/an/a 44n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human sodium channel Nav1.7 by FRET assay


Bioorg Med Chem Lett 17: 6172-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.032
BindingDB Entry DOI: 10.7270/Q2X92B00
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50223150
PNG
(CHEMBL250756 | tert-butyl (R)-1-(9-isopropyl-8-oxo...)
Show SMILES CC(C)N1c2ncccc2CCC(NC(=O)[C@@H](Cc2ccccc2OC(F)(F)F)NC(=O)OC(C)(C)C)C1=O
Show InChI InChI=1S/C27H33F3N4O5/c1-16(2)34-22-17(10-8-14-31-22)12-13-19(24(34)36)32-23(35)20(33-25(37)39-26(3,4)5)15-18-9-6-7-11-21(18)38-27(28,29)30/h6-11,14,16,19-20H,12-13,15H2,1-5H3,(H,32,35)(H,33,37)/t19?,20-/m1/s1
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n/an/a 79n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human sodium channel Nav1.7 by FRET assay


Bioorg Med Chem Lett 17: 6172-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.032
BindingDB Entry DOI: 10.7270/Q2X92B00
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50223153
PNG
(4-fluoro-N-((R)-1-((R)-1-isopropyl-2-oxo-2,3,4,5-t...)
Show SMILES CC(C)N1c2ccccc2CC[C@@H](NC(=O)[C@@H](Cc2ccccc2OC(F)(F)F)NC(=O)c2ccc(F)cc2)C1=O
Show InChI InChI=1S/C30H29F4N3O4/c1-18(2)37-25-9-5-3-7-19(25)13-16-23(29(37)40)35-28(39)24(36-27(38)20-11-14-22(31)15-12-20)17-21-8-4-6-10-26(21)41-30(32,33)34/h3-12,14-15,18,23-24H,13,16-17H2,1-2H3,(H,35,39)(H,36,38)/t23-,24-/m1/s1
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n/an/a 94n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human sodium channel Nav1.7 by FRET assay


Bioorg Med Chem Lett 17: 6172-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.032
BindingDB Entry DOI: 10.7270/Q2X92B00
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50223146
PNG
(CHEMBL398935 | N-((R)-1-((R)-1-isopropyl-2-oxo-2,3...)
Show SMILES CC(C)N1c2ccccc2CC[C@@H](NC(=O)[C@@H](Cc2ccccc2OC(F)(F)F)NC(=O)c2ccccc2C(F)(F)F)C1=O
Show InChI InChI=1S/C31H29F6N3O4/c1-18(2)40-25-13-7-3-9-19(25)15-16-23(29(40)43)38-28(42)24(17-20-10-4-8-14-26(20)44-31(35,36)37)39-27(41)21-11-5-6-12-22(21)30(32,33)34/h3-14,18,23-24H,15-17H2,1-2H3,(H,38,42)(H,39,41)/t23-,24-/m1/s1
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n/an/a 98n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human sodium channel Nav1.7 by FRET assay


Bioorg Med Chem Lett 17: 6172-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.032
BindingDB Entry DOI: 10.7270/Q2X92B00
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50223145
PNG
(CHEMBL398242 | N-((R)-1-((R)-7-chloro-1-isopropyl-...)
Show SMILES CC(C)N1c2ccc(Cl)cc2CC[C@@H](NC(=O)[C@@H](Cc2c(Cl)cccc2Cl)NC(=O)c2ccc(F)cc2C(F)(F)F)C1=O
Show InChI InChI=1S/C30H26Cl3F4N3O3/c1-15(2)40-26-11-7-17(31)12-16(26)6-10-24(29(40)43)38-28(42)25(14-20-22(32)4-3-5-23(20)33)39-27(41)19-9-8-18(34)13-21(19)30(35,36)37/h3-5,7-9,11-13,15,24-25H,6,10,14H2,1-2H3,(H,38,42)(H,39,41)/t24-,25-/m1/s1
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n/an/a 107n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human sodium channel Nav1.7 by FRET assay


Bioorg Med Chem Lett 17: 6172-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.032
BindingDB Entry DOI: 10.7270/Q2X92B00
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50223137
PNG
(CHEMBL251346 | tert-butyl (R)-1-((R)-7-chloro-1-is...)
Show SMILES CC(C)N1c2ccc(Cl)cc2CC[C@@H](NC(=O)[C@@H](Cc2ccccc2OC(F)(F)F)NC(=O)OC(C)(C)C)C1=O
Show InChI InChI=1S/C28H33ClF3N3O5/c1-16(2)35-22-13-11-19(29)14-17(22)10-12-20(25(35)37)33-24(36)21(34-26(38)40-27(3,4)5)15-18-8-6-7-9-23(18)39-28(30,31)32/h6-9,11,13-14,16,20-21H,10,12,15H2,1-5H3,(H,33,36)(H,34,38)/t20-,21-/m1/s1
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n/an/a 108n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human sodium channel Nav1.7 by FRET assay


Bioorg Med Chem Lett 17: 6172-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.032
BindingDB Entry DOI: 10.7270/Q2X92B00
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50223147
PNG
(4-fluoro-N-((R)-1-((R)-1-isopropyl-2-oxo-2,3,4,5-t...)
Show SMILES CC(C)N1c2ccccc2CC[C@@H](NC(=O)[C@@H](Cc2ccccc2OC(F)(F)F)NC(=O)c2ccc(F)cc2C(F)(F)F)C1=O
Show InChI InChI=1S/C31H28F7N3O4/c1-17(2)41-25-9-5-3-7-18(25)11-14-23(29(41)44)39-28(43)24(15-19-8-4-6-10-26(19)45-31(36,37)38)40-27(42)21-13-12-20(32)16-22(21)30(33,34)35/h3-10,12-13,16-17,23-24H,11,14-15H2,1-2H3,(H,39,43)(H,40,42)/t23-,24-/m1/s1
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n/an/a 128n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human sodium channel Nav1.7 by FRET assay


Bioorg Med Chem Lett 17: 6172-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.032
BindingDB Entry DOI: 10.7270/Q2X92B00
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50223138
PNG
(CHEMBL250979 | N-[(R)-1-((R)-1-isopropyl-2-oxo-2,3...)
Show SMILES CC(C)N1c2ccccc2CC[C@@H](NC(=O)[C@@H](Cc2ccccc2OC(F)(F)F)NC(=O)C(C)(C)C)C1=O
Show InChI InChI=1S/C28H34F3N3O4/c1-17(2)34-22-12-8-6-10-18(22)14-15-20(25(34)36)32-24(35)21(33-26(37)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 131n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human sodium channel Nav1.7 by FRET assay


Bioorg Med Chem Lett 17: 6172-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.032
BindingDB Entry DOI: 10.7270/Q2X92B00
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50223154
PNG
(CHEMBL249149 | N-((R)-1-((R)-7-chloro-1-isopropyl-...)
Show SMILES CC(C)N1c2ccc(Cl)cc2CC[C@@H](NC(=O)[C@@H](Cc2cccc(F)c2F)NC(=O)c2ccc(F)cc2C(F)(F)F)C1=O
Show InChI InChI=1S/C30H26ClF6N3O3/c1-15(2)40-25-11-7-18(31)12-16(25)6-10-23(29(40)43)38-28(42)24(13-17-4-3-5-22(33)26(17)34)39-27(41)20-9-8-19(32)14-21(20)30(35,36)37/h3-5,7-9,11-12,14-15,23-24H,6,10,13H2,1-2H3,(H,38,42)(H,39,41)/t23-,24-/m1/s1
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n/an/a 146n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human sodium channel Nav1.7 by FRET assay


Bioorg Med Chem Lett 17: 6172-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.032
BindingDB Entry DOI: 10.7270/Q2X92B00
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50223156
PNG
(CHEMBL249150 | N-((R)-1-((R)-7-chloro-1-isopropyl-...)
Show SMILES CC(C)N1c2ccc(Cl)cc2CC[C@@H](NC(=O)[C@@H](Cc2ccccc2OC(F)(F)F)NC(=O)c2ccc(F)cc2C(F)(F)F)C1=O
Show InChI InChI=1S/C31H27ClF7N3O4/c1-16(2)42-25-12-8-19(32)13-17(25)7-11-23(29(42)45)40-28(44)24(14-18-5-3-4-6-26(18)46-31(37,38)39)41-27(43)21-10-9-20(33)15-22(21)30(34,35)36/h3-6,8-10,12-13,15-16,23-24H,7,11,14H2,1-2H3,(H,40,44)(H,41,43)/t23-,24-/m1/s1
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n/an/a 169n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human sodium channel Nav1.7 by FRET assay


Bioorg Med Chem Lett 17: 6172-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.032
BindingDB Entry DOI: 10.7270/Q2X92B00
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50223142
PNG
(CHEMBL401336 | N-((R)-1-((R)-1-isopropyl-2-oxo-2,3...)
Show SMILES CC(C)N1c2ccccc2CC[C@@H](NC(=O)[C@@H](Cc2ccccc2OC(F)(F)F)NC(=O)c2ccc(cc2)C(F)(F)F)C1=O
Show InChI InChI=1S/C31H29F6N3O4/c1-18(2)40-25-9-5-3-7-19(25)13-16-23(29(40)43)38-28(42)24(17-21-8-4-6-10-26(21)44-31(35,36)37)39-27(41)20-11-14-22(15-12-20)30(32,33)34/h3-12,14-15,18,23-24H,13,16-17H2,1-2H3,(H,38,42)(H,39,41)/t23-,24-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human sodium channel Nav1.7 by FRET assay


Bioorg Med Chem Lett 17: 6172-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.032
BindingDB Entry DOI: 10.7270/Q2X92B00
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50223148
PNG
(CHEMBL248946 | N-((R)-1-((R)-1-isopropyl-2-oxo-2,3...)
Show SMILES CC(C)N1c2ccccc2CC[C@@H](NC(=O)[C@@H](Cc2ccccc2OC(F)(F)F)NC(=O)c2ccccn2)C1=O
Show InChI InChI=1S/C29H29F3N4O4/c1-18(2)36-24-12-5-3-9-19(24)14-15-22(28(36)39)34-27(38)23(35-26(37)21-11-7-8-16-33-21)17-20-10-4-6-13-25(20)40-29(30,31)32/h3-13,16,18,22-23H,14-15,17H2,1-2H3,(H,34,38)(H,35,37)/t22-,23-/m1/s1
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n/an/a 177n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human sodium channel Nav1.7 by FRET assay


Bioorg Med Chem Lett 17: 6172-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.032
BindingDB Entry DOI: 10.7270/Q2X92B00
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50223152
PNG
(3,3,3-trifluoro-N-[(R)-1-((R)-1-isopropyl-2-oxo-2,...)
Show SMILES CC(C)N1c2ccccc2CC[C@@H](NC(=O)[C@@H](Cc2ccccc2OC(F)(F)F)NC(=O)C(C)(C(F)(F)F)C(F)(F)F)C1=O
Show InChI InChI=1S/C28H28F9N3O4/c1-15(2)40-20-10-6-4-8-16(20)12-13-18(23(40)42)38-22(41)19(14-17-9-5-7-11-21(17)44-28(35,36)37)39-24(43)25(3,26(29,30)31)27(32,33)34/h4-11,15,18-19H,12-14H2,1-3H3,(H,38,41)(H,39,43)/t18-,19-/m1/s1
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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 sodium channel Nav1.7 by FRET assay


Bioorg Med Chem Lett 17: 6172-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.032
BindingDB Entry DOI: 10.7270/Q2X92B00
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50223135
PNG
(CHEMBL398620 | N-((R)-1-((R)-7-chloro-1-isopropyl-...)
Show SMILES CC(C)N1c2ccc(Cl)cc2CC[C@@H](NC(=O)[C@@H](Cc2cc(F)ccc2F)NC(=O)c2ccc(F)cc2C(F)(F)F)C1=O
Show InChI InChI=1S/C30H26ClF6N3O3/c1-15(2)40-26-10-4-18(31)11-16(26)3-9-24(29(40)43)38-28(42)25(13-17-12-19(32)6-8-23(17)34)39-27(41)21-7-5-20(33)14-22(21)30(35,36)37/h4-8,10-12,14-15,24-25H,3,9,13H2,1-2H3,(H,38,42)(H,39,41)/t24-,25-/m1/s1
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n/an/a 232n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human sodium channel Nav1.7 by FRET assay


Bioorg Med Chem Lett 17: 6172-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.032
BindingDB Entry DOI: 10.7270/Q2X92B00
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50223155
PNG
(CHEMBL251765 | N-((R)-1-((R)-7-chloro-1-isopropyl-...)
Show SMILES CC(C)N1c2ccc(Cl)cc2CC[C@@H](NC(=O)[C@@H](Cc2c(F)cccc2F)NC(=O)c2ccc(F)cc2C(F)(F)F)C1=O
Show InChI InChI=1S/C30H26ClF6N3O3/c1-15(2)40-26-11-7-17(31)12-16(26)6-10-24(29(40)43)38-28(42)25(14-20-22(33)4-3-5-23(20)34)39-27(41)19-9-8-18(32)13-21(19)30(35,36)37/h3-5,7-9,11-13,15,24-25H,6,10,14H2,1-2H3,(H,38,42)(H,39,41)/t24-,25-/m1/s1
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n/an/a 290n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human sodium channel Nav1.7 by FRET assay


Bioorg Med Chem Lett 17: 6172-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.032
BindingDB Entry DOI: 10.7270/Q2X92B00
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50223141
PNG
(CHEMBL248947 | N-((R)-1-((R)-1-isopropyl-2-oxo-2,3...)
Show SMILES CC(C)N1c2ccccc2CC[C@@H](NC(=O)[C@@H](Cc2ccccc2OC(F)(F)F)NC(=O)c2ccncc2)C1=O
Show InChI InChI=1S/C29H29F3N4O4/c1-18(2)36-24-9-5-3-7-19(24)11-12-22(28(36)39)34-27(38)23(35-26(37)20-13-15-33-16-14-20)17-21-8-4-6-10-25(21)40-29(30,31)32/h3-10,13-16,18,22-23H,11-12,17H2,1-2H3,(H,34,38)(H,35,37)/t22-,23-/m1/s1
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n/an/a 453n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human sodium channel Nav1.7 by FRET assay


Bioorg Med Chem Lett 17: 6172-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.032
BindingDB Entry DOI: 10.7270/Q2X92B00
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50223151
PNG
((R)-N-((R)-1-isopropyl-2-oxo-2,3,4,5-tetrahydro-1H...)
Show SMILES CC(C)N1c2ccccc2CC[C@@H](NC(=O)[C@@H](Cc2ccccc2OC(F)(F)F)NC(=O)C(F)(F)F)C1=O
Show InChI InChI=1S/C25H25F6N3O4/c1-14(2)34-19-9-5-3-7-15(19)11-12-17(22(34)36)32-21(35)18(33-23(37)24(26,27)28)13-16-8-4-6-10-20(16)38-25(29,30)31/h3-10,14,17-18H,11-13H2,1-2H3,(H,32,35)(H,33,37)/t17-,18-/m1/s1
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n/an/a 868n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human sodium channel Nav1.7 by FRET assay


Bioorg Med Chem Lett 17: 6172-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.032
BindingDB Entry DOI: 10.7270/Q2X92B00
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50223134
PNG
(CHEMBL250303 | N-((R)-1-((R)-7-chloro-1-isopropyl-...)
Show SMILES CC(C)N1c2ccc(Cl)cc2CC[C@@H](NC(=O)[C@@H](Cc2ccc(F)cc2F)NC(=O)c2ccc(F)cc2C(F)(F)F)C1=O
Show InChI InChI=1S/C30H26ClF6N3O3/c1-15(2)40-26-10-5-18(31)11-17(26)4-9-24(29(40)43)38-28(42)25(12-16-3-6-20(33)14-23(16)34)39-27(41)21-8-7-19(32)13-22(21)30(35,36)37/h3,5-8,10-11,13-15,24-25H,4,9,12H2,1-2H3,(H,38,42)(H,39,41)/t24-,25-/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
Inhibition of human sodium channel Nav1.7 by FRET assay


Bioorg Med Chem Lett 17: 6172-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.032
BindingDB Entry DOI: 10.7270/Q2X92B00
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50223143
PNG
(CHEMBL398556 | N-((R)-1-((R)-1-isopropyl-2-oxo-2,3...)
Show SMILES CC(C)N1c2ccccc2CC[C@@H](NC(=O)[C@@H](Cc2ccccc2OC(F)(F)F)NC(=O)c2ncccn2)C1=O
Show InChI InChI=1S/C28H28F3N5O4/c1-17(2)36-22-10-5-3-8-18(22)12-13-20(27(36)39)34-25(37)21(35-26(38)24-32-14-7-15-33-24)16-19-9-4-6-11-23(19)40-28(29,30)31/h3-11,14-15,17,20-21H,12-13,16H2,1-2H3,(H,34,37)(H,35,38)/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
Inhibition of human sodium channel Nav1.7 by FRET assay


Bioorg Med Chem Lett 17: 6172-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.032
BindingDB Entry DOI: 10.7270/Q2X92B00
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50223144
PNG
((R)-2-acetamido-N-((R)-1-isopropyl-2-oxo-2,3,4,5-t...)
Show SMILES CC(C)N1c2ccccc2CC[C@@H](NC(=O)[C@@H](Cc2ccccc2OC(F)(F)F)NC(C)=O)C1=O
Show InChI InChI=1S/C25H28F3N3O4/c1-15(2)31-21-10-6-4-8-17(21)12-13-19(24(31)34)30-23(33)20(29-16(3)32)14-18-9-5-7-11-22(18)35-25(26,27)28/h4-11,15,19-20H,12-14H2,1-3H3,(H,29,32)(H,30,33)/t19-,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
Inhibition of human sodium channel Nav1.7 by FRET assay


Bioorg Med Chem Lett 17: 6172-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.032
BindingDB Entry DOI: 10.7270/Q2X92B00
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50223149
PNG
(CHEMBL249148 | N-((R)-1-((R)-1-isopropyl-2-oxo-2,3...)
Show SMILES CC(C)N1c2ccccc2CC[C@@H](NC(=O)[C@@H](Cc2ccccc2OC(F)(F)F)NC(=O)c2cncnc2)C1=O
Show InChI InChI=1S/C28H28F3N5O4/c1-17(2)36-23-9-5-3-7-18(23)11-12-21(27(36)39)34-26(38)22(35-25(37)20-14-32-16-33-15-20)13-19-8-4-6-10-24(19)40-28(29,30)31/h3-10,14-17,21-22H,11-13H2,1-2H3,(H,34,38)(H,35,37)/t21-,22-/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
Inhibition of human sodium channel Nav1.7 by FRET assay


Bioorg Med Chem Lett 17: 6172-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.032
BindingDB Entry DOI: 10.7270/Q2X92B00
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%