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PubMed code 19683443

Compile data set for download or QSAR
Found 26 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))
BDBM50301711
PNG
((1R,2R)-2-(5-(3-methoxyphenyl)isoxazol-3-yl)-N-(1-...)
Show SMILES COc1cccc(c1)-c1cc(no1)[C@@H]1CCC[C@H]1C(=O)NC1(CCC1)c1ccccc1
Show InChI InChI=1S/C26H28N2O3/c1-30-20-11-5-8-18(16-20)24-17-23(28-31-24)21-12-6-13-22(21)25(29)27-26(14-7-15-26)19-9-3-2-4-10-19/h2-5,8-11,16-17,21-22H,6-7,12-15H2,1H3,(H,27,29)/t21-,22-/m1/s1
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n/an/a 20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 channel expressed in HEK293 cells by FRET assay


Bioorg Med Chem Lett 19: 5334-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.135
BindingDB Entry DOI: 10.7270/Q2QF8SZQ
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50301729
PNG
((1R,2R)-N-(1-(4-fluorophenyl)cyclobutyl)-2-(5-phen...)
Show SMILES Fc1ccc(cc1)C1(CCC1)NC(=O)[C@@H]1CCC[C@H]1c1cc(on1)-c1ccccc1
Show InChI InChI=1S/C25H25FN2O2/c26-19-12-10-18(11-13-19)25(14-5-15-25)27-24(29)21-9-4-8-20(21)22-16-23(30-28-22)17-6-2-1-3-7-17/h1-3,6-7,10-13,16,20-21H,4-5,8-9,14-15H2,(H,27,29)/t20-,21-/m1/s1
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n/an/a 84n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 channel expressed in HEK293 cells by FRET assay


Bioorg Med Chem Lett 19: 5334-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.135
BindingDB Entry DOI: 10.7270/Q2QF8SZQ
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50301728
PNG
((1R,2R)-N-(1-(3-fluorophenyl)cyclobutyl)-2-(5-phen...)
Show SMILES Fc1cccc(c1)C1(CCC1)NC(=O)[C@@H]1CCC[C@H]1c1cc(on1)-c1ccccc1
Show InChI InChI=1S/C25H25FN2O2/c26-19-10-4-9-18(15-19)25(13-6-14-25)27-24(29)21-12-5-11-20(21)22-16-23(30-28-22)17-7-2-1-3-8-17/h1-4,7-10,15-16,20-21H,5-6,11-14H2,(H,27,29)/t20-,21-/m1/s1
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n/an/a 110n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 channel expressed in HEK293 cells by FRET assay


Bioorg Med Chem Lett 19: 5334-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.135
BindingDB Entry DOI: 10.7270/Q2QF8SZQ
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50301723
PNG
((1R,2R)-N-(1-phenylcyclobutyl)-2-(5-phenylisoxazol...)
Show SMILES O=C(NC1(CCC1)c1ccccc1)[C@@H]1CCC[C@H]1c1cc(on1)-c1ccccc1
Show InChI InChI=1S/C25H26N2O2/c28-24(26-25(15-8-16-25)19-11-5-2-6-12-19)21-14-7-13-20(21)22-17-23(29-27-22)18-9-3-1-4-10-18/h1-6,9-12,17,20-21H,7-8,13-16H2,(H,26,28)/t20-,21-/m1/s1
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n/an/a 120n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 channel expressed in HEK293 cells by FRET assay


Bioorg Med Chem Lett 19: 5334-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.135
BindingDB Entry DOI: 10.7270/Q2QF8SZQ
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50301714
PNG
((1R,2R)-2-(5-(4-hydroxyphenyl)isoxazol-3-yl)-N-(1-...)
Show SMILES Oc1ccc(cc1)-c1cc(no1)[C@@H]1CCC[C@H]1C(=O)NC1(CCC1)c1ccccc1
Show InChI InChI=1S/C25H26N2O3/c28-19-12-10-17(11-13-19)23-16-22(27-30-23)20-8-4-9-21(20)24(29)26-25(14-5-15-25)18-6-2-1-3-7-18/h1-3,6-7,10-13,16,20-21,28H,4-5,8-9,14-15H2,(H,26,29)/t20-,21-/m1/s1
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n/an/a 130n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 channel expressed in HEK293 cells by FRET assay


Bioorg Med Chem Lett 19: 5334-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.135
BindingDB Entry DOI: 10.7270/Q2QF8SZQ
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50301732
PNG
((1R,2R)-N-(3-fluoro-1-phenylcyclobutyl)-2-(5-pheny...)
Show SMILES FC1CC(C1)(NC(=O)[C@@H]1CCC[C@H]1c1cc(on1)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H25FN2O2/c26-19-15-25(16-19,18-10-5-2-6-11-18)27-24(29)21-13-7-12-20(21)22-14-23(30-28-22)17-8-3-1-4-9-17/h1-6,8-11,14,19-21H,7,12-13,15-16H2,(H,27,29)/t19?,20-,21-,25?/m1/s1
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n/an/a 160n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 channel expressed in HEK293 cells by FRET assay


Bioorg Med Chem Lett 19: 5334-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.135
BindingDB Entry DOI: 10.7270/Q2QF8SZQ
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50301712
PNG
((1R,2R)-2-(5-(4-methoxyphenyl)isoxazol-3-yl)-N-(1-...)
Show SMILES COc1ccc(cc1)-c1cc(no1)[C@@H]1CCC[C@H]1C(=O)NC1(CCC1)c1ccccc1
Show InChI InChI=1S/C26H28N2O3/c1-30-20-13-11-18(12-14-20)24-17-23(28-31-24)21-9-5-10-22(21)25(29)27-26(15-6-16-26)19-7-3-2-4-8-19/h2-4,7-8,11-14,17,21-22H,5-6,9-10,15-16H2,1H3,(H,27,29)/t21-,22-/m1/s1
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n/an/a 180n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 channel expressed in HEK293 cells by FRET assay


Bioorg Med Chem Lett 19: 5334-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.135
BindingDB Entry DOI: 10.7270/Q2QF8SZQ
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50301733
PNG
((1R,2R)-2-(5-(2-chlorophenyl)isoxazol-3-yl)-N-(1-p...)
Show SMILES Clc1ccccc1-c1cc(no1)[C@@H]1CCC[C@H]1C(=O)NC1(CCC1)c1ccccc1
Show InChI InChI=1S/C25H25ClN2O2/c26-21-13-5-4-10-20(21)23-16-22(28-30-23)18-11-6-12-19(18)24(29)27-25(14-7-15-25)17-8-2-1-3-9-17/h1-5,8-10,13,16,18-19H,6-7,11-12,14-15H2,(H,27,29)/t18-,19-/m1/s1
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n/an/a 180n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 channel expressed in HEK293 cells by FRET assay


Bioorg Med Chem Lett 19: 5334-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.135
BindingDB Entry DOI: 10.7270/Q2QF8SZQ
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50301718
PNG
((1R,2R)-2-(5-(6-methoxypyridin-2-yl)isoxazol-3-yl)...)
Show SMILES COc1cccc(n1)-c1cc(no1)[C@@H]1CCC[C@H]1C(=O)NC1(CCC1)c1ccccc1
Show InChI InChI=1S/C25H27N3O3/c1-30-23-13-6-12-20(26-23)22-16-21(28-31-22)18-10-5-11-19(18)24(29)27-25(14-7-15-25)17-8-3-2-4-9-17/h2-4,6,8-9,12-13,16,18-19H,5,7,10-11,14-15H2,1H3,(H,27,29)/t18-,19-/m1/s1
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n/an/a 190n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 channel expressed in HEK293 cells by FRET assay


Bioorg Med Chem Lett 19: 5334-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.135
BindingDB Entry DOI: 10.7270/Q2QF8SZQ
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50301713
PNG
((1R,2R)-2-(5-(3-hydroxyphenyl)isoxazol-3-yl)-N-(1-...)
Show SMILES Oc1cccc(c1)-c1cc(no1)[C@@H]1CCC[C@H]1C(=O)NC1(CCC1)c1ccccc1
Show InChI InChI=1S/C25H26N2O3/c28-19-10-4-7-17(15-19)23-16-22(27-30-23)20-11-5-12-21(20)24(29)26-25(13-6-14-25)18-8-2-1-3-9-18/h1-4,7-10,15-16,20-21,28H,5-6,11-14H2,(H,26,29)/t20-,21-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 channel expressed in HEK293 cells by FRET assay


Bioorg Med Chem Lett 19: 5334-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.135
BindingDB Entry DOI: 10.7270/Q2QF8SZQ
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50301724
PNG
((1R,2R)-N-(1-phenylcyclopentyl)-2-(5-phenylisoxazo...)
Show SMILES O=C(NC1(CCCC1)c1ccccc1)[C@@H]1CCC[C@H]1c1cc(on1)-c1ccccc1
Show InChI InChI=1S/C26H28N2O2/c29-25(27-26(16-7-8-17-26)20-12-5-2-6-13-20)22-15-9-14-21(22)23-18-24(30-28-23)19-10-3-1-4-11-19/h1-6,10-13,18,21-22H,7-9,14-17H2,(H,27,29)/t21-,22-/m1/s1
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n/an/a 220n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 channel expressed in HEK293 cells by FRET assay


Bioorg Med Chem Lett 19: 5334-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.135
BindingDB Entry DOI: 10.7270/Q2QF8SZQ
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50301719
PNG
((1R,2R)-N-(1-phenylcyclobutyl)-2-(5-(6-(trifluorom...)
Show SMILES FC(F)(F)c1cccc(n1)-c1cc(no1)[C@@H]1CCC[C@H]1C(=O)NC1(CCC1)c1ccccc1
Show InChI InChI=1S/C25H24F3N3O2/c26-25(27,28)22-12-5-11-19(29-22)21-15-20(31-33-21)17-9-4-10-18(17)23(32)30-24(13-6-14-24)16-7-2-1-3-8-16/h1-3,5,7-8,11-12,15,17-18H,4,6,9-10,13-14H2,(H,30,32)/t17-,18-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 channel expressed in HEK293 cells by FRET assay


Bioorg Med Chem Lett 19: 5334-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.135
BindingDB Entry DOI: 10.7270/Q2QF8SZQ
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50301715
PNG
((1R,2R)-2-(5-(2-hydroxy-3-(trifluoromethoxy)phenyl...)
Show SMILES Oc1c(OC(F)(F)F)cccc1-c1cc(no1)[C@@H]1CCC[C@H]1C(=O)NC1(CCC1)c1ccccc1
Show InChI InChI=1S/C26H25F3N2O4/c27-26(28,29)34-21-12-5-11-19(23(21)32)22-15-20(31-35-22)17-9-4-10-18(17)24(33)30-25(13-6-14-25)16-7-2-1-3-8-16/h1-3,5,7-8,11-12,15,17-18,32H,4,6,9-10,13-14H2,(H,30,33)/t17-,18-/m1/s1
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n/an/a 260n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 channel expressed in HEK293 cells by FRET assay


Bioorg Med Chem Lett 19: 5334-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.135
BindingDB Entry DOI: 10.7270/Q2QF8SZQ
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50301717
PNG
((1R,2R)-2-(5-(2-hydroxy-4-(trifluoromethyl)phenyl)...)
Show SMILES Oc1cc(ccc1-c1cc(no1)[C@@H]1CCC[C@H]1C(=O)NC1(CCC1)c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C26H25F3N2O3/c27-26(28,29)17-10-11-20(22(32)14-17)23-15-21(31-34-23)18-8-4-9-19(18)24(33)30-25(12-5-13-25)16-6-2-1-3-7-16/h1-3,6-7,10-11,14-15,18-19,32H,4-5,8-9,12-13H2,(H,30,33)/t18-,19-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 channel expressed in HEK293 cells by FRET assay


Bioorg Med Chem Lett 19: 5334-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.135
BindingDB Entry DOI: 10.7270/Q2QF8SZQ
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50301709
PNG
((1R,2R)-N-(1-phenylcyclobutyl)-2-(5-(3-(trifluorom...)
Show SMILES FC(F)(F)Oc1cccc(c1)-c1cc(no1)[C@@H]1CCC[C@H]1C(=O)NC1(CCC1)c1ccccc1
Show InChI InChI=1S/C26H25F3N2O3/c27-26(28,29)33-19-10-4-7-17(15-19)23-16-22(31-34-23)20-11-5-12-21(20)24(32)30-25(13-6-14-25)18-8-2-1-3-9-18/h1-4,7-10,15-16,20-21H,5-6,11-14H2,(H,30,32)/t20-,21-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 channel expressed in HEK293 cells by FRET assay


Bioorg Med Chem Lett 19: 5334-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.135
BindingDB Entry DOI: 10.7270/Q2QF8SZQ
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50301731
PNG
((1R,2R)-N-(3-methoxy-1-phenylcyclobutyl)-2-(5-phen...)
Show SMILES COC1CC(C1)(NC(=O)[C@@H]1CCC[C@H]1c1cc(on1)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H28N2O3/c1-30-20-16-26(17-20,19-11-6-3-7-12-19)27-25(29)22-14-8-13-21(22)23-15-24(31-28-23)18-9-4-2-5-10-18/h2-7,9-12,15,20-22H,8,13-14,16-17H2,1H3,(H,27,29)/t20?,21-,22-,26?/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 channel expressed in HEK293 cells by FRET assay


Bioorg Med Chem Lett 19: 5334-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.135
BindingDB Entry DOI: 10.7270/Q2QF8SZQ
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50301710
PNG
((1R,2R)-2-(5-(2-methoxyphenyl)isoxazol-3-yl)-N-(1-...)
Show SMILES COc1ccccc1-c1cc(no1)[C@@H]1CCC[C@H]1C(=O)NC1(CCC1)c1ccccc1
Show InChI InChI=1S/C26H28N2O3/c1-30-23-14-6-5-11-21(23)24-17-22(28-31-24)19-12-7-13-20(19)25(29)27-26(15-8-16-26)18-9-3-2-4-10-18/h2-6,9-11,14,17,19-20H,7-8,12-13,15-16H2,1H3,(H,27,29)/t19-,20-/m1/s1
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n/an/a 390n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 channel expressed in HEK293 cells by FRET assay


Bioorg Med Chem Lett 19: 5334-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.135
BindingDB Entry DOI: 10.7270/Q2QF8SZQ
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50301721
PNG
((1R,2R)-2-(5-phenylisoxazol-3-yl)-N-(2-phenylpropa...)
Show SMILES CC(C)(NC(=O)[C@@H]1CCC[C@H]1c1cc(on1)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H26N2O2/c1-24(2,18-12-7-4-8-13-18)25-23(27)20-15-9-14-19(20)21-16-22(28-26-21)17-10-5-3-6-11-17/h3-8,10-13,16,19-20H,9,14-15H2,1-2H3,(H,25,27)/t19-,20-/m1/s1
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n/an/a 430n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 channel expressed in HEK293 cells by FRET assay


Bioorg Med Chem Lett 19: 5334-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.135
BindingDB Entry DOI: 10.7270/Q2QF8SZQ
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50301722
PNG
((1R,2R)-N-(1-phenylcyclopropyl)-2-(5-phenylisoxazo...)
Show SMILES O=C(NC1(CC1)c1ccccc1)[C@@H]1CCC[C@H]1c1cc(on1)-c1ccccc1
Show InChI InChI=1S/C24H24N2O2/c27-23(25-24(14-15-24)18-10-5-2-6-11-18)20-13-7-12-19(20)21-16-22(28-26-21)17-8-3-1-4-9-17/h1-6,8-11,16,19-20H,7,12-15H2,(H,25,27)/t19-,20-/m1/s1
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n/an/a 440n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 channel expressed in HEK293 cells by FRET assay


Bioorg Med Chem Lett 19: 5334-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.135
BindingDB Entry DOI: 10.7270/Q2QF8SZQ
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50301727
PNG
((1R,2R)-N-(1-(2-fluorophenyl)cyclobutyl)-2-(5-phen...)
Show SMILES Fc1ccccc1C1(CCC1)NC(=O)[C@@H]1CCC[C@H]1c1cc(on1)-c1ccccc1
Show InChI InChI=1S/C25H25FN2O2/c26-21-13-5-4-12-20(21)25(14-7-15-25)27-24(29)19-11-6-10-18(19)22-16-23(30-28-22)17-8-2-1-3-9-17/h1-5,8-9,12-13,16,18-19H,6-7,10-11,14-15H2,(H,27,29)/t18-,19-/m1/s1
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n/an/a 450n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 channel expressed in HEK293 cells by FRET assay


Bioorg Med Chem Lett 19: 5334-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.135
BindingDB Entry DOI: 10.7270/Q2QF8SZQ
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50301725
PNG
((1R,2R)-N-(1-phenylcyclohexyl)-2-(5-phenylisoxazol...)
Show SMILES O=C(NC1(CCCCC1)c1ccccc1)[C@@H]1CCC[C@H]1c1cc(on1)-c1ccccc1
Show InChI InChI=1S/C27H30N2O2/c30-26(28-27(17-8-3-9-18-27)21-13-6-2-7-14-21)23-16-10-15-22(23)24-19-25(31-29-24)20-11-4-1-5-12-20/h1-2,4-7,11-14,19,22-23H,3,8-10,15-18H2,(H,28,30)/t22-,23-/m1/s1
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n/an/a 580n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 channel expressed in HEK293 cells by FRET assay


Bioorg Med Chem Lett 19: 5334-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.135
BindingDB Entry DOI: 10.7270/Q2QF8SZQ
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50301726
PNG
((1R,2R)-2-(5-phenylisoxazol-3-yl)-N-(1-(3-(trifluo...)
Show SMILES FC(F)(F)c1cccc(c1)C1(CCC1)NC(=O)[C@@H]1CCC[C@H]1c1cc(on1)-c1ccccc1
Show InChI InChI=1S/C26H25F3N2O2/c27-26(28,29)19-10-4-9-18(15-19)25(13-6-14-25)30-24(32)21-12-5-11-20(21)22-16-23(33-31-22)17-7-2-1-3-8-17/h1-4,7-10,15-16,20-21H,5-6,11-14H2,(H,30,32)/t20-,21-/m1/s1
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n/an/a 590n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 channel expressed in HEK293 cells by FRET assay


Bioorg Med Chem Lett 19: 5334-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.135
BindingDB Entry DOI: 10.7270/Q2QF8SZQ
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50301734
PNG
((1R,2R)-N-(1-phenylcyclobutyl)-2-(5-(2-(trifluorom...)
Show SMILES FC(F)(F)c1ccccc1-c1cc(no1)[C@@H]1CCC[C@H]1C(=O)NC1(CCC1)c1ccccc1
Show InChI InChI=1S/C26H25F3N2O2/c27-26(28,29)21-13-5-4-10-20(21)23-16-22(31-33-23)18-11-6-12-19(18)24(32)30-25(14-7-15-25)17-8-2-1-3-9-17/h1-5,8-10,13,16,18-19H,6-7,11-12,14-15H2,(H,30,32)/t18-,19-/m1/s1
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n/an/a 740n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 channel expressed in HEK293 cells by FRET assay


Bioorg Med Chem Lett 19: 5334-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.135
BindingDB Entry DOI: 10.7270/Q2QF8SZQ
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50301720
PNG
((1R,2R)-N-(1-phenylethyl)-2-(5-phenylisoxazol-3-yl...)
Show SMILES CC(NC(=O)[C@@H]1CCC[C@H]1c1cc(on1)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H24N2O2/c1-16(17-9-4-2-5-10-17)24-23(26)20-14-8-13-19(20)21-15-22(27-25-21)18-11-6-3-7-12-18/h2-7,9-12,15-16,19-20H,8,13-14H2,1H3,(H,24,26)/t16?,19-,20-/m1/s1
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n/an/a 1.70E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 channel expressed in HEK293 cells by FRET assay


Bioorg Med Chem Lett 19: 5334-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.135
BindingDB Entry DOI: 10.7270/Q2QF8SZQ
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50301730
PNG
((1R,2R)-N-(3-hydroxy-1-phenylcyclobutyl)-2-(5-phen...)
Show SMILES OC1CC(C1)(NC(=O)[C@@H]1CCC[C@H]1c1cc(on1)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H26N2O3/c28-19-15-25(16-19,18-10-5-2-6-11-18)26-24(29)21-13-7-12-20(21)22-14-23(30-27-22)17-8-3-1-4-9-17/h1-6,8-11,14,19-21,28H,7,12-13,15-16H2,(H,26,29)/t19?,20-,21-,25?/m1/s1
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n/an/a>5.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 channel expressed in HEK293 cells by FRET assay


Bioorg Med Chem Lett 19: 5334-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.135
BindingDB Entry DOI: 10.7270/Q2QF8SZQ
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50301716
PNG
((1R,2R)-2-(5-(2-hydroxy-3-(trifluoromethyl)phenyl)...)
Show SMILES Oc1c(cccc1C(F)(F)F)-c1cc(no1)[C@@H]1CCC[C@H]1C(=O)NC1(CCC1)c1ccccc1
Show InChI InChI=1S/C26H25F3N2O3/c27-26(28,29)20-12-5-11-19(23(20)32)22-15-21(31-34-22)17-9-4-10-18(17)24(33)30-25(13-6-14-25)16-7-2-1-3-8-16/h1-3,5,7-8,11-12,15,17-18,32H,4,6,9-10,13-14H2,(H,30,33)/t17-,18-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 channel expressed in HEK293 cells by FRET assay


Bioorg Med Chem Lett 19: 5334-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.135
BindingDB Entry DOI: 10.7270/Q2QF8SZQ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%