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Compile Data Set for Download or QSAR

Found 186 hits with Last Name = 'nyström' and Initial = 'je'   
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))		BDBM50391489
PNG
(CHEMBL2147212)
Show SMILES FC(F)Oc1cnc(cn1)-c1ccccc1CCNC(=O)c1ccc(OCCC(F)(F)F)nc1
Show InChI InChI=1S/C22H19F5N4O3/c23-21(24)34-19-13-29-17(12-31-19)16-4-2-1-3-14(16)7-9-28-20(32)15-5-6-18(30-11-15)33-10-8-22(25,26)27/h1-6,11-13,21H,7-10H2,(H,28,32)
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n/an/a 25n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells by whole cell voltage-clamp electrophysiology assay

Bioorg Med Chem Lett 22: 6108-15 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.031
BindingDB Entry DOI: 10.7270/Q2B8596S
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50391491
PNG
(CHEMBL2147211)
Show SMILES COc1cnc(cn1)-c1ccccc1CCNC(=O)c1ccc(OCCC(F)(F)F)nc1
Show InChI InChI=1S/C22H21F3N4O3/c1-31-20-14-27-18(13-29-20)17-5-3-2-4-15(17)8-10-26-21(30)16-6-7-19(28-12-16)32-11-9-22(23,24)25/h2-7,12-14H,8-11H2,1H3,(H,26,30)
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n/an/a 25n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells by whole cell voltage-clamp electrophysiology assay

Bioorg Med Chem Lett 22: 6108-15 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.031
BindingDB Entry DOI: 10.7270/Q2B8596S
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50391513
PNG
(CHEMBL2147306)
Show SMILES COc1ncc(cn1)-c1c(C)ccc(F)c1CCNC(=O)c1ccc(OCC(F)(F)F)nc1
Show InChI InChI=1S/C22H20F4N4O3/c1-13-3-5-17(23)16(19(13)15-10-29-21(32-2)30-11-15)7-8-27-20(31)14-4-6-18(28-9-14)33-12-22(24,25)26/h3-6,9-11H,7-8,12H2,1-2H3,(H,27,31)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells by whole cell voltage-clamp electrophysiology assay

Bioorg Med Chem Lett 22: 6108-15 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.031
BindingDB Entry DOI: 10.7270/Q2B8596S
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50391502
PNG
(CHEMBL2147305)
Show SMILES COc1ncc(cn1)-c1c(C)ccc(F)c1CCNC(=O)c1ccc(OCCC(F)(F)F)nc1
Show InChI InChI=1S/C23H22F4N4O3/c1-14-3-5-18(24)17(20(14)16-12-30-22(33-2)31-13-16)7-9-28-21(32)15-4-6-19(29-11-15)34-10-8-23(25,26)27/h3-6,11-13H,7-10H2,1-2H3,(H,28,32)
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n/an/a 32n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells by whole cell voltage-clamp electrophysiology assay

Bioorg Med Chem Lett 22: 6108-15 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.031
BindingDB Entry DOI: 10.7270/Q2B8596S
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50391483
PNG
(CHEMBL2147223)
Show SMILES COc1ncc(cn1)-c1cccc(Cl)c1CCNC(=O)c1ccc(OCCC(F)(F)F)nc1
Show InChI InChI=1S/C22H20ClF3N4O3/c1-32-21-29-12-15(13-30-21)16-3-2-4-18(23)17(16)7-9-27-20(31)14-5-6-19(28-11-14)33-10-8-22(24,25)26/h2-6,11-13H,7-10H2,1H3,(H,27,31)
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n/an/a 32n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells by whole cell voltage-clamp electrophysiology assay

Bioorg Med Chem Lett 22: 6108-15 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.031
BindingDB Entry DOI: 10.7270/Q2B8596S
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50391496
PNG
(CHEMBL2147221)
Show SMILES COc1ncc(cn1)-c1cccc(C)c1CCNC(=O)c1ccc(OCCC(F)(F)F)nc1
Show InChI InChI=1S/C23H23F3N4O3/c1-15-4-3-5-19(17-13-29-22(32-2)30-14-17)18(15)8-10-27-21(31)16-6-7-20(28-12-16)33-11-9-23(24,25)26/h3-7,12-14H,8-11H2,1-2H3,(H,27,31)
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n/an/a 32n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells by whole cell voltage-clamp electrophysiology assay

Bioorg Med Chem Lett 22: 6108-15 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.031
BindingDB Entry DOI: 10.7270/Q2B8596S
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50391501
PNG
(CHEMBL2147307)
Show SMILES COc1cnc(cn1)-c1c(C)ccc(F)c1CCNC(=O)c1ccc(COCC(F)(F)F)nc1
Show InChI InChI=1S/C23H22F4N4O3/c1-14-3-6-18(24)17(21(14)19-10-31-20(33-2)11-30-19)7-8-28-22(32)15-4-5-16(29-9-15)12-34-13-23(25,26)27/h3-6,9-11H,7-8,12-13H2,1-2H3,(H,28,32)
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n/an/a 40n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells by whole cell voltage-clamp electrophysiology assay

Bioorg Med Chem Lett 22: 6108-15 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.031
BindingDB Entry DOI: 10.7270/Q2B8596S
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50391492
PNG
(CHEMBL2147213)
Show SMILES FC(F)(F)CCOc1ccc(cn1)C(=O)NCCc1ccccc1-c1cccnc1
Show InChI InChI=1S/C22H20F3N3O2/c23-22(24,25)10-13-30-20-8-7-18(15-28-20)21(29)27-12-9-16-4-1-2-6-19(16)17-5-3-11-26-14-17/h1-8,11,14-15H,9-10,12-13H2,(H,27,29)
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n/an/a 40n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells by whole cell voltage-clamp electrophysiology assay

Bioorg Med Chem Lett 22: 6108-15 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.031
BindingDB Entry DOI: 10.7270/Q2B8596S
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50391500
PNG
(CHEMBL2147308)
Show SMILES COc1cnc(cn1)-c1c(F)ccc(F)c1CCNC(=O)c1ccc(COCC(F)(F)F)nc1
Show InChI InChI=1S/C22H19F5N4O3/c1-33-19-10-30-18(9-31-19)20-15(16(23)4-5-17(20)24)6-7-28-21(32)13-2-3-14(29-8-13)11-34-12-22(25,26)27/h2-5,8-10H,6-7,11-12H2,1H3,(H,28,32)
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n/an/a 50n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells by whole cell voltage-clamp electrophysiology assay

Bioorg Med Chem Lett 22: 6108-15 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.031
BindingDB Entry DOI: 10.7270/Q2B8596S
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50391490
PNG
(CHEMBL2147222)
Show SMILES COc1ncc(cn1)-c1cccc(F)c1CCNC(=O)c1ccc(OCCC(F)(F)F)nc1
Show InChI InChI=1S/C22H20F4N4O3/c1-32-21-29-12-15(13-30-21)16-3-2-4-18(23)17(16)7-9-27-20(31)14-5-6-19(28-11-14)33-10-8-22(24,25)26/h2-6,11-13H,7-10H2,1H3,(H,27,31)
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n/an/a 63n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells by whole cell voltage-clamp electrophysiology assay

Bioorg Med Chem Lett 22: 6108-15 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.031
BindingDB Entry DOI: 10.7270/Q2B8596S
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50391493
PNG
(CHEMBL2147214)
Show SMILES Cc1ncc(cn1)-c1ccccc1CCNC(=O)c1ccc(OCCC(F)(F)F)nc1
Show InChI InChI=1S/C22H21F3N4O2/c1-15-27-13-18(14-28-15)19-5-3-2-4-16(19)8-10-26-21(30)17-6-7-20(29-12-17)31-11-9-22(23,24)25/h2-7,12-14H,8-11H2,1H3,(H,26,30)
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n/an/a 63n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells by whole cell voltage-clamp electrophysiology assay

Bioorg Med Chem Lett 22: 6108-15 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.031
BindingDB Entry DOI: 10.7270/Q2B8596S
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50390100
PNG
(CHEMBL2069420)
Show SMILES FC(F)(F)CCOc1ccc(cn1)C(=O)N[C@@H]1COc2cccc(-c3cncnc3)c2C1 |r|
Show InChI InChI=1S/C22H19F3N4O3/c23-22(24,25)6-7-31-20-5-4-14(11-28-20)21(30)29-16-8-18-17(15-9-26-13-27-10-15)2-1-3-19(18)32-12-16/h1-5,9-11,13,16H,6-8,12H2,(H,29,30)/t16-/m0/s1
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n/an/a 63.1n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.7 expressed in HEK293 cells by whole-cell voltage clamp assay

Bioorg Med Chem Lett 22: 5618-24 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.105
BindingDB Entry DOI: 10.7270/Q2ZC83ZX
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50390096
PNG
(CHEMBL2069408)
Show SMILES FC(F)(F)COc1ccc(cn1)C(=O)N[C@@H]1COc2cccc(-c3cccnc3)c2C1 |r|
Show InChI InChI=1S/C22H18F3N3O3/c23-22(24,25)13-31-20-7-6-15(11-27-20)21(29)28-16-9-18-17(14-3-2-8-26-10-14)4-1-5-19(18)30-12-16/h1-8,10-11,16H,9,12-13H2,(H,28,29)/t16-/m0/s1
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n/an/a 79.4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.7 expressed in HEK293 cells by whole-cell voltage clamp assay

Bioorg Med Chem Lett 22: 5618-24 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.105
BindingDB Entry DOI: 10.7270/Q2ZC83ZX
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50390072
PNG
(CHEMBL2069427)
Show SMILES COc1cnc(cn1)-c1cccc2OC[C@H](Cc12)NC(=O)c1ccc(COCC(F)(F)F)nc1 |r|
Show InChI InChI=1S/C23H21F3N4O4/c1-32-21-10-28-19(9-29-21)17-3-2-4-20-18(17)7-16(12-34-20)30-22(31)14-5-6-15(27-8-14)11-33-13-23(24,25)26/h2-6,8-10,16H,7,11-13H2,1H3,(H,30,31)/t16-/m0/s1
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n/an/a 79.4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.7 expressed in HEK293 cells by whole-cell voltage clamp assay

Bioorg Med Chem Lett 22: 5618-24 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.105
BindingDB Entry DOI: 10.7270/Q2ZC83ZX
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50390089
PNG
(CHEMBL2069421)
Show SMILES COc1ncc(cn1)-c1cccc2OC[C@H](Cc12)NC(=O)c1ccc(OCC(F)(F)F)nc1 |r|
Show InChI InChI=1S/C22H19F3N4O4/c1-31-21-27-9-14(10-28-21)16-3-2-4-18-17(16)7-15(11-32-18)29-20(30)13-5-6-19(26-8-13)33-12-22(23,24)25/h2-6,8-10,15H,7,11-12H2,1H3,(H,29,30)/t15-/m0/s1
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n/an/a 79.4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.7 expressed in HEK293 cells by whole-cell voltage clamp assay

Bioorg Med Chem Lett 22: 5618-24 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.105
BindingDB Entry DOI: 10.7270/Q2ZC83ZX
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50390101
PNG
(CHEMBL2069426)
Show SMILES Cc1cnc(cn1)-c1cccc2OC[C@H](Cc12)NC(=O)c1ccc(OCC(F)(F)F)nc1 |r|
Show InChI InChI=1S/C22H19F3N4O3/c1-13-8-27-18(10-26-13)16-3-2-4-19-17(16)7-15(11-31-19)29-21(30)14-5-6-20(28-9-14)32-12-22(23,24)25/h2-6,8-10,15H,7,11-12H2,1H3,(H,29,30)/t15-/m0/s1
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n/an/a 79.4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.7 expressed in HEK293 cells by whole-cell voltage clamp assay

Bioorg Med Chem Lett 22: 5618-24 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.105
BindingDB Entry DOI: 10.7270/Q2ZC83ZX
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50390090
PNG
(CHEMBL2069422)
Show SMILES COc1ncc(cn1)-c1cccc2OC[C@H](Cc12)NC(=O)c1ccc(OCCC(F)(F)F)nc1 |r|
Show InChI InChI=1S/C23H21F3N4O4/c1-32-22-28-11-15(12-29-22)17-3-2-4-19-18(17)9-16(13-34-19)30-21(31)14-5-6-20(27-10-14)33-8-7-23(24,25)26/h2-6,10-12,16H,7-9,13H2,1H3,(H,30,31)/t16-/m0/s1
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n/an/a 79.4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.7 expressed in HEK293 cells by whole-cell voltage clamp assay

Bioorg Med Chem Lett 22: 5618-24 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.105
BindingDB Entry DOI: 10.7270/Q2ZC83ZX
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50390092
PNG
(CHEMBL2069424)
Show SMILES Cc1ncc(cn1)-c1cccc2OC[C@H](Cc12)NC(=O)c1ccc(OCC(F)(F)F)nc1 |r|
Show InChI InChI=1S/C22H19F3N4O3/c1-13-26-9-15(10-27-13)17-3-2-4-19-18(17)7-16(11-31-19)29-21(30)14-5-6-20(28-8-14)32-12-22(23,24)25/h2-6,8-10,16H,7,11-12H2,1H3,(H,29,30)/t16-/m0/s1
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n/an/a 100n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.7 expressed in HEK293 cells by whole-cell voltage clamp assay

Bioorg Med Chem Lett 22: 5618-24 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.105
BindingDB Entry DOI: 10.7270/Q2ZC83ZX
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50391481
PNG
(CHEMBL2147215)
Show SMILES OCc1ccc(cn1)-c1ccccc1CCNC(=O)c1ccc(OCCC(F)(F)F)nc1
Show InChI InChI=1S/C23H22F3N3O3/c24-23(25,26)10-12-32-21-8-6-18(14-29-21)22(31)27-11-9-16-3-1-2-4-20(16)17-5-7-19(15-30)28-13-17/h1-8,13-14,30H,9-12,15H2,(H,27,31)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells by whole cell voltage-clamp electrophysiology assay

Bioorg Med Chem Lett 22: 6108-15 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.031
BindingDB Entry DOI: 10.7270/Q2B8596S
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50390081
PNG
(CHEMBL2069409)
Show SMILES FC(F)(F)COc1ccc(cn1)C(=O)N[C@@H]1COc2cccc(-c3ccncc3)c2C1 |r|
Show InChI InChI=1S/C22H18F3N3O3/c23-22(24,25)13-31-20-5-4-15(11-27-20)21(29)28-16-10-18-17(14-6-8-26-9-7-14)2-1-3-19(18)30-12-16/h1-9,11,16H,10,12-13H2,(H,28,29)/t16-/m0/s1
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n/an/a 100n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.7 expressed in HEK293 cells by whole-cell voltage clamp assay

Bioorg Med Chem Lett 22: 5618-24 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.105
BindingDB Entry DOI: 10.7270/Q2ZC83ZX
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50390093
PNG
(CHEMBL2069425)
Show SMILES COc1cnc(cn1)-c1cccc2OC[C@H](Cc12)NC(=O)c1ccc(OCC(F)(F)F)nc1 |r|
Show InChI InChI=1S/C22H19F3N4O4/c1-31-20-10-26-17(9-28-20)15-3-2-4-18-16(15)7-14(11-32-18)29-21(30)13-5-6-19(27-8-13)33-12-22(23,24)25/h2-6,8-10,14H,7,11-12H2,1H3,(H,29,30)/t14-/m0/s1
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n/an/a 126n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.7 expressed in HEK293 cells by whole-cell voltage clamp assay

Bioorg Med Chem Lett 22: 5618-24 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.105
BindingDB Entry DOI: 10.7270/Q2ZC83ZX
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50391499
PNG
(CHEMBL2147309)
Show SMILES Cc1cnc(cn1)-c1c(F)ccc(F)c1CCNC(=O)c1ccc(COCC(F)(F)F)nc1
Show InChI InChI=1S/C22H19F5N4O2/c1-13-8-31-19(10-29-13)20-16(17(23)4-5-18(20)24)6-7-28-21(32)14-2-3-15(30-9-14)11-33-12-22(25,26)27/h2-5,8-10H,6-7,11-12H2,1H3,(H,28,32)
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n/an/a 126n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells by whole cell voltage-clamp electrophysiology assay

Bioorg Med Chem Lett 22: 6108-15 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.031
BindingDB Entry DOI: 10.7270/Q2B8596S
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50391485
PNG
(CHEMBL2147210)
Show SMILES COc1ncc(cn1)-c1ccccc1CCNC(=O)c1ccc(OCCC(F)(F)F)nc1
Show InChI InChI=1S/C22H21F3N4O3/c1-31-21-28-13-17(14-29-21)18-5-3-2-4-15(18)8-10-26-20(30)16-6-7-19(27-12-16)32-11-9-22(23,24)25/h2-7,12-14H,8-11H2,1H3,(H,26,30)
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n/an/a 126n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells by whole cell voltage-clamp electrophysiology assay

Bioorg Med Chem Lett 22: 6108-15 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.031
BindingDB Entry DOI: 10.7270/Q2B8596S
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50390071
PNG
(CHEMBL2069411)
Show SMILES OCc1ccc(cn1)-c1cccc2OC[C@H](Cc12)NC(=O)c1ccc(OCC(F)(F)F)nc1 |r|
Show InChI InChI=1S/C23H20F3N3O4/c24-23(25,26)13-33-21-7-5-15(10-28-21)22(31)29-17-8-19-18(2-1-3-20(19)32-12-17)14-4-6-16(11-30)27-9-14/h1-7,9-10,17,30H,8,11-13H2,(H,29,31)/t17-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.7 expressed in HEK293 cells by whole-cell voltage clamp assay

Bioorg Med Chem Lett 22: 5618-24 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.105
BindingDB Entry DOI: 10.7270/Q2ZC83ZX
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50390083
PNG
(CHEMBL2069413)
Show SMILES OCc1ccc(cn1)-c1cccc2OC[C@H](Cc12)NC(=O)c1ccc(OCCOCC(F)(F)F)nc1 |r|
Show InChI InChI=1S/C25H24F3N3O5/c26-25(27,28)15-34-8-9-35-23-7-5-17(12-30-23)24(33)31-19-10-21-20(2-1-3-22(21)36-14-19)16-4-6-18(13-32)29-11-16/h1-7,11-12,19,32H,8-10,13-15H2,(H,31,33)/t19-/m0/s1
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n/an/a 158n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.7 expressed in HEK293 cells by whole-cell voltage clamp assay

Bioorg Med Chem Lett 22: 5618-24 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.105
BindingDB Entry DOI: 10.7270/Q2ZC83ZX
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50390077
PNG
(CHEMBL2069404)
Show SMILES CN1CCN(CC1)c1cccc2OC[C@H](Cc12)NC(=O)c1nn(nc1C)-c1ccc(C)cc1C |r|
Show InChI InChI=1S/C26H32N6O2/c1-17-8-9-22(18(2)14-17)32-28-19(3)25(29-32)26(33)27-20-15-21-23(6-5-7-24(21)34-16-20)31-12-10-30(4)11-13-31/h5-9,14,20H,10-13,15-16H2,1-4H3,(H,27,33)/t20-/m0/s1
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n/an/a 158n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.7 expressed in HEK293 cells by whole-cell voltage clamp assay

Bioorg Med Chem Lett 22: 5618-24 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.105
BindingDB Entry DOI: 10.7270/Q2ZC83ZX
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))		BDBM50390071
PNG
(CHEMBL2069411)
Show SMILES OCc1ccc(cn1)-c1cccc2OC[C@H](Cc12)NC(=O)c1ccc(OCC(F)(F)F)nc1 |r|
Show InChI InChI=1S/C23H20F3N3O4/c24-23(25,26)13-33-21-7-5-15(10-28-21)22(31)29-17-8-19-18(2-1-3-20(19)32-12-17)14-4-6-16(11-30)27-9-14/h1-7,9-10,17,30H,8,11-13H2,(H,29,31)/t17-/m0/s1
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n/an/a 200n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]ghrelin from GHS receptor

Bioorg Med Chem Lett 22: 5618-24 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.105
BindingDB Entry DOI: 10.7270/Q2ZC83ZX
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50391503
PNG
(CHEMBL2147310)
Show SMILES COc1cnc(cn1)-c1c(OC)ccc(F)c1CCNC(=O)c1ccc(COCC(F)(F)F)nc1
Show InChI InChI=1S/C23H22F4N4O4/c1-33-19-6-5-17(24)16(21(19)18-10-31-20(34-2)11-30-18)7-8-28-22(32)14-3-4-15(29-9-14)12-35-13-23(25,26)27/h3-6,9-11H,7-8,12-13H2,1-2H3,(H,28,32)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells by whole cell voltage-clamp electrophysiology assay

Bioorg Med Chem Lett 22: 6108-15 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.031
BindingDB Entry DOI: 10.7270/Q2B8596S
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50391506
PNG
(CHEMBL2147317)
Show SMILES COc1cnc(cn1)-c1cccc(F)c1C(F)(F)CNC(=O)c1ccc(COCC(F)(F)F)nc1
Show InChI InChI=1S/C22H18F6N4O3/c1-34-18-9-30-17(8-31-18)15-3-2-4-16(23)19(15)21(24,25)11-32-20(33)13-5-6-14(29-7-13)10-35-12-22(26,27)28/h2-9H,10-12H2,1H3,(H,32,33)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells by whole cell voltage-clamp electrophysiology assay

Bioorg Med Chem Lett 22: 6108-15 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.031
BindingDB Entry DOI: 10.7270/Q2B8596S
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50391494
PNG
(CHEMBL2147219)
Show SMILES Cc1ncc(cn1)-c1ccccc1CCNC(=O)c1ccc(nc1)C(=O)NCCCC(F)(F)F
Show InChI InChI=1S/C24H24F3N5O2/c1-16-30-14-19(15-31-16)20-6-3-2-5-17(20)9-12-29-22(33)18-7-8-21(32-13-18)23(34)28-11-4-10-24(25,26)27/h2-3,5-8,13-15H,4,9-12H2,1H3,(H,28,34)(H,29,33)
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n/an/a 251n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells by whole cell voltage-clamp electrophysiology assay

Bioorg Med Chem Lett 22: 6108-15 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.031
BindingDB Entry DOI: 10.7270/Q2B8596S
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50391508
PNG
(CHEMBL2147316)
Show SMILES COc1cnc(cn1)-c1ccccc1C(F)(F)CNC(=O)c1ccc(COCC(F)(F)F)nc1
Show InChI InChI=1S/C22H19F5N4O3/c1-33-19-10-29-18(9-30-19)16-4-2-3-5-17(16)21(23,24)12-31-20(32)14-6-7-15(28-8-14)11-34-13-22(25,26)27/h2-10H,11-13H2,1H3,(H,31,32)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells by whole cell voltage-clamp electrophysiology assay

Bioorg Med Chem Lett 22: 6108-15 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.031
BindingDB Entry DOI: 10.7270/Q2B8596S
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50390091
PNG
(CHEMBL2069423)
Show SMILES COc1ncc(cn1)-c1cccc2OC[C@H](Cc12)NC(=O)c1ccc(COCC(F)(F)F)nc1 |r|
Show InChI InChI=1S/C23H21F3N4O4/c1-32-22-28-9-15(10-29-22)18-3-2-4-20-19(18)7-17(12-34-20)30-21(31)14-5-6-16(27-8-14)11-33-13-23(24,25)26/h2-6,8-10,17H,7,11-13H2,1H3,(H,30,31)/t17-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.7 expressed in HEK293 cells by whole-cell voltage clamp assay

Bioorg Med Chem Lett 22: 5618-24 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.105
BindingDB Entry DOI: 10.7270/Q2ZC83ZX
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50390076
PNG
(CHEMBL2069403)
Show SMILES CN1CCN(CC1)c1cccc2OC[C@H](Cc12)NC(=O)c1nn(nc1C)-c1ccccc1 |r|
Show InChI InChI=1S/C24H28N6O2/c1-17-23(27-30(26-17)19-7-4-3-5-8-19)24(31)25-18-15-20-21(9-6-10-22(20)32-16-18)29-13-11-28(2)12-14-29/h3-10,18H,11-16H2,1-2H3,(H,25,31)/t18-/m0/s1
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n/an/a 316n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.7 expressed in HEK293 cells by whole-cell voltage clamp assay

Bioorg Med Chem Lett 22: 5618-24 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.105
BindingDB Entry DOI: 10.7270/Q2ZC83ZX
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50391484
PNG
(CHEMBL2147224)
Show SMILES COc1ncc(cn1)-c1cccc(OC)c1CCNC(=O)c1ccc(OCCC(F)(F)F)nc1
Show InChI InChI=1S/C23H23F3N4O4/c1-32-19-5-3-4-17(16-13-29-22(33-2)30-14-16)18(19)8-10-27-21(31)15-6-7-20(28-12-15)34-11-9-23(24,25)26/h3-7,12-14H,8-11H2,1-2H3,(H,27,31)
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n/an/a 398n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells by whole cell voltage-clamp electrophysiology assay

Bioorg Med Chem Lett 22: 6108-15 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.031
BindingDB Entry DOI: 10.7270/Q2B8596S
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50391487
PNG
(CHEMBL2147217)
Show SMILES Cc1ncc(cn1)-c1ccccc1CCNC(=O)c1ccc(OCCOCC(F)(F)F)nc1
Show InChI InChI=1S/C23H23F3N4O3/c1-16-28-13-19(14-29-16)20-5-3-2-4-17(20)8-9-27-22(31)18-6-7-21(30-12-18)33-11-10-32-15-23(24,25)26/h2-7,12-14H,8-11,15H2,1H3,(H,27,31)
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n/an/a 398n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells by whole cell voltage-clamp electrophysiology assay

Bioorg Med Chem Lett 22: 6108-15 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.031
BindingDB Entry DOI: 10.7270/Q2B8596S
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50390097
PNG
(CHEMBL2069410)
Show SMILES COc1ncc(cc1F)-c1cccc2OC[C@H](Cc12)NC(=O)c1ccc(OCC(F)(F)F)nc1 |r|
Show InChI InChI=1S/C23H19F4N3O4/c1-32-22-18(24)7-14(10-29-22)16-3-2-4-19-17(16)8-15(11-33-19)30-21(31)13-5-6-20(28-9-13)34-12-23(25,26)27/h2-7,9-10,15H,8,11-12H2,1H3,(H,30,31)/t15-/m0/s1
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n/an/a 398n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.7 expressed in HEK293 cells by whole-cell voltage clamp assay

Bioorg Med Chem Lett 22: 5618-24 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.105
BindingDB Entry DOI: 10.7270/Q2ZC83ZX
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50390094
PNG
(CHEMBL2069428)
Show SMILES Cc1cnc(cn1)-c1cccc2OC[C@H](Cc12)NC(=O)c1ccc(COCC(F)(F)F)nc1 |r|
Show InChI InChI=1S/C23H21F3N4O3/c1-14-8-29-20(10-27-14)18-3-2-4-21-19(18)7-17(12-33-21)30-22(31)15-5-6-16(28-9-15)11-32-13-23(24,25)26/h2-6,8-10,17H,7,11-13H2,1H3,(H,30,31)/t17-/m0/s1
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n/an/a 501n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.7 expressed in HEK293 cells by whole-cell voltage clamp assay

Bioorg Med Chem Lett 22: 5618-24 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.105
BindingDB Entry DOI: 10.7270/Q2ZC83ZX
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50390082
PNG
(CHEMBL2069412)
Show SMILES OCc1cc(ccn1)-c1cccc2OC[C@H](Cc12)NC(=O)c1ccc(OCC(F)(F)F)nc1 |r|
Show InChI InChI=1S/C23H20F3N3O4/c24-23(25,26)13-33-21-5-4-15(10-28-21)22(31)29-17-9-19-18(2-1-3-20(19)32-12-17)14-6-7-27-16(8-14)11-30/h1-8,10,17,30H,9,11-13H2,(H,29,31)/t17-/m0/s1
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n/an/a 501n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.7 expressed in HEK293 cells by whole-cell voltage clamp assay

Bioorg Med Chem Lett 22: 5618-24 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.105
BindingDB Entry DOI: 10.7270/Q2ZC83ZX
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50390075
PNG
(CHEMBL2069402)
Show SMILES CN1CCN(CC1)c1cccc2OC[C@H](Cc12)NC(=O)c1ccc(OCCC(F)(F)F)nc1 |r|
Show InChI InChI=1S/C23H27F3N4O3/c1-29-8-10-30(11-9-29)19-3-2-4-20-18(19)13-17(15-33-20)28-22(31)16-5-6-21(27-14-16)32-12-7-23(24,25)26/h2-6,14,17H,7-13,15H2,1H3,(H,28,31)/t17-/m0/s1
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n/an/a 631n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.7 expressed in HEK293 cells by whole-cell voltage clamp assay

Bioorg Med Chem Lett 22: 5618-24 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.105
BindingDB Entry DOI: 10.7270/Q2ZC83ZX
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50391512
PNG
(CHEMBL2147303)
Show SMILES COc1ncc(cn1)-c1ccccc1C(F)(F)CNC(=O)c1ccc(COCC(F)(F)F)nc1
Show InChI InChI=1S/C22H19F5N4O3/c1-33-20-29-9-15(10-30-20)17-4-2-3-5-18(17)21(23,24)12-31-19(32)14-6-7-16(28-8-14)11-34-13-22(25,26)27/h2-10H,11-13H2,1H3,(H,31,32)
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n/an/a 631n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells by whole cell voltage-clamp electrophysiology assay

Bioorg Med Chem Lett 22: 6108-15 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.031
BindingDB Entry DOI: 10.7270/Q2B8596S
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))		BDBM50391502
PNG
(CHEMBL2147305)
Show SMILES COc1ncc(cn1)-c1c(C)ccc(F)c1CCNC(=O)c1ccc(OCCC(F)(F)F)nc1
Show InChI InChI=1S/C23H22F4N4O3/c1-14-3-5-18(24)17(20(14)16-12-30-22(33-2)31-13-16)7-9-28-21(32)15-4-6-19(29-11-15)34-10-8-23(25,26)27/h3-6,11-13H,7-10H2,1-2H3,(H,28,32)
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n/an/a 794n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.5

Bioorg Med Chem Lett 22: 6108-15 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.031
BindingDB Entry DOI: 10.7270/Q2B8596S
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50390084
PNG
(CHEMBL2069414)
Show SMILES CC(O)c1ccc(cn1)-c1cccc2OC[C@H](Cc12)NC(=O)c1ccc(OCCOCC(F)(F)F)nc1 |r|
Show InChI InChI=1S/C26H26F3N3O5/c1-16(33)22-7-5-17(12-30-22)20-3-2-4-23-21(20)11-19(14-37-23)32-25(34)18-6-8-24(31-13-18)36-10-9-35-15-26(27,28)29/h2-8,12-13,16,19,33H,9-11,14-15H2,1H3,(H,32,34)/t16?,19-/m0/s1
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n/an/a 794n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.7 expressed in HEK293 cells by whole-cell voltage clamp assay

Bioorg Med Chem Lett 22: 5618-24 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.105
BindingDB Entry DOI: 10.7270/Q2ZC83ZX
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50390099
PNG
(CHEMBL2069401)
Show SMILES CN1CCN(CC1)c1cccc2OC[C@H](Cc12)NC(=O)c1ccc(OCC(F)(F)F)nc1 |r|
Show InChI InChI=1S/C22H25F3N4O3/c1-28-7-9-29(10-8-28)18-3-2-4-19-17(18)11-16(13-31-19)27-21(30)15-5-6-20(26-12-15)32-14-22(23,24)25/h2-6,12,16H,7-11,13-14H2,1H3,(H,27,30)/t16-/m0/s1
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n/an/a 794n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.7 expressed in HEK293 cells by whole-cell voltage clamp assay

Bioorg Med Chem Lett 22: 5618-24 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.105
BindingDB Entry DOI: 10.7270/Q2ZC83ZX
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50390098
PNG
(CHEMBL2069415)
Show SMILES Cc1cc(cnc1CO)-c1cccc2OC[C@H](Cc12)NC(=O)c1ccc(OCCOCC(F)(F)F)nc1 |r|
Show InChI InChI=1S/C26H26F3N3O5/c1-16-9-18(12-30-22(16)13-33)20-3-2-4-23-21(20)10-19(14-37-23)32-25(34)17-5-6-24(31-11-17)36-8-7-35-15-26(27,28)29/h2-6,9,11-12,19,33H,7-8,10,13-15H2,1H3,(H,32,34)/t19-/m0/s1
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n/an/a 794n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.7 expressed in HEK293 cells by whole-cell voltage clamp assay

Bioorg Med Chem Lett 22: 5618-24 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.105
BindingDB Entry DOI: 10.7270/Q2ZC83ZX
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50087827
PNG
(CHEMBL49082 | Cyclopent-2-ene-1,2-dicarboxylic aci...)
Show SMILES CCON(C1CCCCC1)C(=O)C1=CCC[C@H]1C(=O)NCc1ccc(cc1)C(N)=N |t:13|
Show InChI InChI=1S/C23H32N4O3/c1-2-30-27(18-7-4-3-5-8-18)23(29)20-10-6-9-19(20)22(28)26-15-16-11-13-17(14-12-16)21(24)25/h10-14,18-19H,2-9,15H2,1H3,(H3,24,25)(H,26,28)/t19-/m1/s1
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n/an/a 870n/an/an/an/an/an/a



Link£ping University

Curated by ChEMBL


Assay Description
In vitro for the inhibition of thrombin

J Med Chem 43: 1705-13 (2000)


BindingDB Entry DOI: 10.7270/Q22808BS
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50087834
PNG
(CHEMBL50117 | Cyclopent-2-ene-1,2-dicarboxylic aci...)
Show SMILES CCN(C1CCCCC1)C(=O)C1=CCC[C@H]1C(=O)NCc1ccc(cc1)C(N)=N |t:12|
Show InChI InChI=1S/C23H32N4O2/c1-2-27(18-7-4-3-5-8-18)23(29)20-10-6-9-19(20)22(28)26-15-16-11-13-17(14-12-16)21(24)25/h10-14,18-19H,2-9,15H2,1H3,(H3,24,25)(H,26,28)/t19-/m1/s1
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n/an/a 890n/an/an/an/an/an/a



Link£ping University

Curated by ChEMBL


Assay Description
In vitro for the inhibition of thrombin

J Med Chem 43: 1705-13 (2000)


BindingDB Entry DOI: 10.7270/Q22808BS
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Rattus norvegicus)		BDBM50391508
PNG
(CHEMBL2147316)
Show SMILES COc1cnc(cn1)-c1ccccc1C(F)(F)CNC(=O)c1ccc(COCC(F)(F)F)nc1
Show InChI InChI=1S/C22H19F5N4O3/c1-33-19-10-29-18(9-30-19)16-4-2-3-5-17(16)21(23,24)12-31-20(32)14-6-7-15(28-8-14)11-34-13-22(25,26)27/h2-10H,11-13H2,1H3,(H,31,32)
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n/an/a 900n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of rat Nav1.7 by whole cell voltage-clamp electrophysiology assay

Bioorg Med Chem Lett 22: 6108-15 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.031
BindingDB Entry DOI: 10.7270/Q2B8596S
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50087840
PNG
(CHEMBL298122 | Cyclopent-2-ene-1,2-dicarboxylic ac...)
Show SMILES CCN(C(=O)C1=CCC[C@H]1C(=O)NCc1ccc(cc1)C(N)=N)c1ccccc1 |t:5|
Show InChI InChI=1S/C23H26N4O2/c1-2-27(18-7-4-3-5-8-18)23(29)20-10-6-9-19(20)22(28)26-15-16-11-13-17(14-12-16)21(24)25/h3-5,7-8,10-14,19H,2,6,9,15H2,1H3,(H3,24,25)(H,26,28)/t19-/m1/s1
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n/an/a 980n/an/an/an/an/an/a



Link£ping University

Curated by ChEMBL


Assay Description
In vitro for the inhibition of thrombin

J Med Chem 43: 1705-13 (2000)


BindingDB Entry DOI: 10.7270/Q22808BS
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))		BDBM50391501
PNG
(CHEMBL2147307)
Show SMILES COc1cnc(cn1)-c1c(C)ccc(F)c1CCNC(=O)c1ccc(COCC(F)(F)F)nc1
Show InChI InChI=1S/C23H22F4N4O3/c1-14-3-6-18(24)17(21(14)19-10-31-20(33-2)11-30-19)7-8-28-22(32)15-4-5-16(29-9-15)12-34-13-23(25,26)27/h3-6,9-11H,7-8,12-13H2,1-2H3,(H,28,32)
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n/an/a 1.00E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.5

Bioorg Med Chem Lett 22: 6108-15 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.031
BindingDB Entry DOI: 10.7270/Q2B8596S
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50391511
PNG
(CHEMBL2147315)
Show SMILES COc1ncc(cn1)-c1cccnc1C(F)(F)CNC(=O)c1ccc(OCCC(F)(F)F)nc1
Show InChI InChI=1S/C21H18F5N5O3/c1-33-19-29-10-14(11-30-19)15-3-2-7-27-17(15)20(22,23)12-31-18(32)13-4-5-16(28-9-13)34-8-6-21(24,25)26/h2-5,7,9-11H,6,8,12H2,1H3,(H,31,32)
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n/an/a 1.00E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells by whole cell voltage-clamp electrophysiology assay

Bioorg Med Chem Lett 22: 6108-15 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.031
BindingDB Entry DOI: 10.7270/Q2B8596S
More data for this
Ligand-Target Pair
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