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PubMed code 22832315

Compile data set for download or QSAR
Found 85 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))
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
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
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
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
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
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
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
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
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
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
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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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
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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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
More data for this
Ligand-Target Pair
Ghrelin receptor


(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
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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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 assay


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


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


(Homo sapiens (Human))
BDBM50390080
PNG
(CHEMBL2069407)
Show SMILES FC(F)(F)Oc1ccc(cc1)C(=O)N[C@@H]1COc2cccc(c2C1)-c1ccncc1 |r|
Show InChI InChI=1S/C22H17F3N2O3/c23-22(24,25)30-17-6-4-15(5-7-17)21(28)27-16-12-19-18(14-8-10-26-11-9-14)2-1-3-20(19)29-13-16/h1-11,16H,12-13H2,(H,27,28)/t16-/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
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50390074
PNG
(CHEMBL2069399)
Show SMILES CCCCOc1ccc(cc1)C(=O)N[C@@H]1COc2cccc(N3CCN(C)CC3)c2C1 |r|
Show InChI InChI=1S/C25H33N3O3/c1-3-4-16-30-21-10-8-19(9-11-21)25(29)26-20-17-22-23(6-5-7-24(22)31-18-20)28-14-12-27(2)13-15-28/h5-11,20H,3-4,12-18H2,1-2H3,(H,26,29)/t20-/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
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50390085
PNG
(CHEMBL2069416)
Show SMILES Cc1nn(nc1C(=O)N[C@@H]1COc2cccc(-c3ccncc3)c2C1)-c1ccccc1 |r|
Show InChI InChI=1S/C24H21N5O2/c1-16-23(28-29(27-16)19-6-3-2-4-7-19)24(30)26-18-14-21-20(17-10-12-25-13-11-17)8-5-9-22(21)31-15-18/h2-13,18H,14-15H2,1H3,(H,26,30)/t18-/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
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50390079
PNG
(CHEMBL2069406)
Show SMILES FC(F)(F)Oc1ccc(cc1)C(=O)N[C@@H]1COc2cccc(c2C1)-c1cccnc1 |r|
Show InChI InChI=1S/C22H17F3N2O3/c23-22(24,25)30-17-8-6-14(7-9-17)21(28)27-16-11-19-18(15-3-2-10-26-12-15)4-1-5-20(19)29-13-16/h1-10,12,16H,11,13H2,(H,27,28)/t16-/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
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50390078
PNG
(CHEMBL2069405)
Show SMILES FC(F)(F)Oc1ccc(cc1)C(=O)N[C@@H]1COc2cccc(c2C1)-c1ccccn1 |r|
Show InChI InChI=1S/C22H17F3N2O3/c23-22(24,25)30-16-9-7-14(8-10-16)21(28)27-15-12-18-17(19-5-1-2-11-26-19)4-3-6-20(18)29-13-15/h1-11,15H,12-13H2,(H,27,28)/t15-/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
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50390073
PNG
(CHEMBL2069400)
Show SMILES CN1CCN(CC1)c1cccc2OC[C@H](Cc12)NC(=O)c1ccc(OC(F)(F)F)cc1 |r|
Show InChI InChI=1S/C22H24F3N3O3/c1-27-9-11-28(12-10-27)19-3-2-4-20-18(19)13-16(14-30-20)26-21(29)15-5-7-17(8-6-15)31-22(23,24)25/h2-8,16H,9-14H2,1H3,(H,26,29)/t16-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.5 expressed in CHO cells by IonWorks assay


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


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


(Homo sapiens (Human))
BDBM50390073
PNG
(CHEMBL2069400)
Show SMILES CN1CCN(CC1)c1cccc2OC[C@H](Cc12)NC(=O)c1ccc(OC(F)(F)F)cc1 |r|
Show InChI InChI=1S/C22H24F3N3O3/c1-27-9-11-28(12-10-27)19-3-2-4-20-18(19)13-16(14-30-20)26-21(29)15-5-7-17(8-6-15)31-22(23,24)25/h2-8,16H,9-14H2,1H3,(H,26,29)/t16-/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
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(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
Displacement of [125I]RTI-55 from DAT


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


Article DOI: 10.1016/j.bmcl.2012.06.105
More data for this
Ligand-Target Pair
Sodium channel protein type 5 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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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.5 expressed in CHO cells by IonWorks assay


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


Article DOI: 10.1016/j.bmcl.2012.06.105
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50390080
PNG
(CHEMBL2069407)
Show SMILES FC(F)(F)Oc1ccc(cc1)C(=O)N[C@@H]1COc2cccc(c2C1)-c1ccncc1 |r|
Show InChI InChI=1S/C22H17F3N2O3/c23-22(24,25)30-17-6-4-15(5-7-17)21(28)27-16-12-19-18(14-8-10-26-11-9-14)2-1-3-20(19)29-13-16/h1-11,16H,12-13H2,(H,27,28)/t16-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHO cells by IonWorks HT assay


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


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


(Homo sapiens (Human))
BDBM50390087
PNG
(CHEMBL2069418)
Show SMILES COCCn1nc(C)c(n1)C(=O)N[C@@H]1COc2cccc(-c3cccnc3)c2C1 |r|
Show InChI InChI=1S/C21H23N5O3/c1-14-20(25-26(24-14)9-10-28-2)21(27)23-16-11-18-17(15-5-4-8-22-12-15)6-3-7-19(18)29-13-16/h3-8,12,16H,9-11,13H2,1-2H3,(H,23,27)/t16-/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
More data for this
Ligand-Target Pair
Sodium channel protein type 5 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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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.5 expressed in CHO cells by IonWorks assay


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


Article DOI: 10.1016/j.bmcl.2012.06.105
More data for this
Ligand-Target Pair
Sodium channel protein type 5 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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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.5 expressed in CHO cells by IonWorks assay


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


Article DOI: 10.1016/j.bmcl.2012.06.105
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50390079
PNG
(CHEMBL2069406)
Show SMILES FC(F)(F)Oc1ccc(cc1)C(=O)N[C@@H]1COc2cccc(c2C1)-c1cccnc1 |r|
Show InChI InChI=1S/C22H17F3N2O3/c23-22(24,25)30-17-8-6-14(7-9-17)21(28)27-16-11-19-18(15-3-2-10-26-12-15)4-1-5-20(19)29-13-16/h1-10,12,16H,11,13H2,(H,27,28)/t16-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.5 expressed in CHO cells by IonWorks assay


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


Article DOI: 10.1016/j.bmcl.2012.06.105
More data for this
Ligand-Target Pair
Sodium channel protein type 5 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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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.5 expressed in CHO cells by IonWorks assay


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


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


(Homo sapiens (Human))
BDBM50390088
PNG
(CHEMBL2069419)
Show SMILES CC(C)Cn1nc(C)c(n1)C(=O)N[C@@H]1COc2cccc(-c3cccnc3)c2C1 |r|
Show InChI InChI=1S/C22H25N5O2/c1-14(2)12-27-25-15(3)21(26-27)22(28)24-17-10-19-18(16-6-5-9-23-11-16)7-4-8-20(19)29-13-17/h4-9,11,14,17H,10,12-13H2,1-3H3,(H,24,28)/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
More data for this
Ligand-Target Pair
Sodium channel protein type 5 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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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.5 expressed in CHO cells by IonWorks assay


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


Article DOI: 10.1016/j.bmcl.2012.06.105
More data for this
Ligand-Target Pair
Sodium channel protein type 5 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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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.5 expressed in CHO cells by IonWorks assay


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


Article DOI: 10.1016/j.bmcl.2012.06.105
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50390080
PNG
(CHEMBL2069407)
Show SMILES FC(F)(F)Oc1ccc(cc1)C(=O)N[C@@H]1COc2cccc(c2C1)-c1ccncc1 |r|
Show InChI InChI=1S/C22H17F3N2O3/c23-22(24,25)30-17-6-4-15(5-7-17)21(28)27-16-12-19-18(14-8-10-26-11-9-14)2-1-3-20(19)29-13-16/h1-11,16H,12-13H2,(H,27,28)/t16-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.5 expressed in CHO cells by IonWorks assay


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


Article DOI: 10.1016/j.bmcl.2012.06.105
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50390085
PNG
(CHEMBL2069416)
Show SMILES Cc1nn(nc1C(=O)N[C@@H]1COc2cccc(-c3ccncc3)c2C1)-c1ccccc1 |r|
Show InChI InChI=1S/C24H21N5O2/c1-16-23(28-29(27-16)19-6-3-2-4-7-19)24(30)26-18-14-21-20(17-10-12-25-13-11-17)8-5-9-22(21)31-15-18/h2-13,18H,14-15H2,1H3,(H,26,30)/t18-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHO cells by IonWorks HT assay


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


Article DOI: 10.1016/j.bmcl.2012.06.105
More data for this
Ligand-Target Pair
Sodium channel protein type 5 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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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.5 expressed in CHO cells by IonWorks assay


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


Article DOI: 10.1016/j.bmcl.2012.06.105
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(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 5.00E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from CB1 receptor


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


Article DOI: 10.1016/j.bmcl.2012.06.105
More data for this
Ligand-Target Pair
Sodium channel protein type 5 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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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.5 expressed in CHO cells by IonWorks assay


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


Article DOI: 10.1016/j.bmcl.2012.06.105
More data for this
Ligand-Target Pair
Sodium channel protein type 5 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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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.5 expressed in CHO cells by IonWorks assay


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


Article DOI: 10.1016/j.bmcl.2012.06.105
More data for this
Ligand-Target Pair
Sodium channel protein type 5 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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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.5 expressed in CHO cells by IonWorks assay


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


Article DOI: 10.1016/j.bmcl.2012.06.105
More data for this
Ligand-Target Pair
Sodium channel protein type 5 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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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.5 expressed in CHO cells by IonWorks assay


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


Article DOI: 10.1016/j.bmcl.2012.06.105
More data for this
Ligand-Target Pair
Sodium channel protein type 5 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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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.5 expressed in CHO cells by IonWorks assay


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


Article DOI: 10.1016/j.bmcl.2012.06.105
More data for this
Ligand-Target Pair
Sodium channel protein type 5 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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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.5 expressed in CHO cells by IonWorks assay


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


Article DOI: 10.1016/j.bmcl.2012.06.105
More data for this
Ligand-Target Pair
Sodium channel protein type 5 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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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.5 expressed in CHO cells by IonWorks assay


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


Article DOI: 10.1016/j.bmcl.2012.06.105
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(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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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHO cells by IonWorks HT assay


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


Article DOI: 10.1016/j.bmcl.2012.06.105
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50390074
PNG
(CHEMBL2069399)
Show SMILES CCCCOc1ccc(cc1)C(=O)N[C@@H]1COc2cccc(N3CCN(C)CC3)c2C1 |r|
Show InChI InChI=1S/C25H33N3O3/c1-3-4-16-30-21-10-8-19(9-11-21)25(29)26-20-17-22-23(6-5-7-24(22)31-18-20)28-14-12-27(2)13-15-28/h5-11,20H,3-4,12-18H2,1-2H3,(H,26,29)/t20-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.5 expressed in CHO cells by IonWorks assay


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


Article DOI: 10.1016/j.bmcl.2012.06.105
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(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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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHO cells by IonWorks HT assay


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


Article DOI: 10.1016/j.bmcl.2012.06.105
More data for this
Ligand-Target Pair
Sodium channel protein type 5 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 NaV1.5 expressed in CHO cells by IonWorks assay


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


Article DOI: 10.1016/j.bmcl.2012.06.105
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50390074
PNG
(CHEMBL2069399)
Show SMILES CCCCOc1ccc(cc1)C(=O)N[C@@H]1COc2cccc(N3CCN(C)CC3)c2C1 |r|
Show InChI InChI=1S/C25H33N3O3/c1-3-4-16-30-21-10-8-19(9-11-21)25(29)26-20-17-22-23(6-5-7-24(22)31-18-20)28-14-12-27(2)13-15-28/h5-11,20H,3-4,12-18H2,1-2H3,(H,26,29)/t20-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHO cells by IonWorks HT assay


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


Article DOI: 10.1016/j.bmcl.2012.06.105
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(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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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHO cells by IonWorks HT assay


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


Article DOI: 10.1016/j.bmcl.2012.06.105
More data for this
Ligand-Target Pair
Sodium channel protein type 5 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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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.5 expressed in CHO cells by IonWorks assay


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


Article DOI: 10.1016/j.bmcl.2012.06.105
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(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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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHO cells by IonWorks HT assay


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


Article DOI: 10.1016/j.bmcl.2012.06.105
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(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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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHO cells by IonWorks HT assay


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


Article DOI: 10.1016/j.bmcl.2012.06.105
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50390073
PNG
(CHEMBL2069400)
Show SMILES CN1CCN(CC1)c1cccc2OC[C@H](Cc12)NC(=O)c1ccc(OC(F)(F)F)cc1 |r|
Show InChI InChI=1S/C22H24F3N3O3/c1-27-9-11-28(12-10-27)19-3-2-4-20-18(19)13-16(14-30-20)26-21(29)15-5-7-17(8-6-15)31-22(23,24)25/h2-8,16H,9-14H2,1H3,(H,26,29)/t16-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHO cells by IonWorks HT assay


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


Article DOI: 10.1016/j.bmcl.2012.06.105
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(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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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHO cells by IonWorks HT assay


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


Article DOI: 10.1016/j.bmcl.2012.06.105
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(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 ERG expressed in CHO cells by IonWorks HT assay


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


Article DOI: 10.1016/j.bmcl.2012.06.105
More data for this
Ligand-Target Pair
Sodium channel protein type 5 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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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.5 expressed in CHO cells by IonWorks assay


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


Article DOI: 10.1016/j.bmcl.2012.06.105
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(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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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHO cells by IonWorks HT assay


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


Article DOI: 10.1016/j.bmcl.2012.06.105
More data for this
Ligand-Target Pair
Sodium channel protein type 5 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 NaV1.5 expressed in CHO cells by IonWorks assay


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


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


(Homo sapiens (Human))
BDBM50390095
PNG
(CHEMBL2069429)
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-/m1/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
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(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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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHO cells by IonWorks HT assay


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


Article DOI: 10.1016/j.bmcl.2012.06.105
More data for this
Ligand-Target Pair
Sodium channel protein type 5 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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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.5 expressed in CHO cells by IonWorks assay


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


Article DOI: 10.1016/j.bmcl.2012.06.105
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(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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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHO cells by IonWorks HT assay


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


Article DOI: 10.1016/j.bmcl.2012.06.105
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(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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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHO cells by IonWorks HT assay


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


Article DOI: 10.1016/j.bmcl.2012.06.105
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(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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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHO cells by IonWorks HT assay


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


Article DOI: 10.1016/j.bmcl.2012.06.105
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(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 ERG expressed in CHO cells by IonWorks HT assay


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


Article DOI: 10.1016/j.bmcl.2012.06.105
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(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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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHO cells by IonWorks HT assay


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


Article DOI: 10.1016/j.bmcl.2012.06.105
More data for this
Ligand-Target Pair
Sodium channel protein type 5 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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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.5 expressed in CHO cells by IonWorks assay


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


Article DOI: 10.1016/j.bmcl.2012.06.105
More data for this
Ligand-Target Pair
Sodium channel protein type 5 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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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.5 expressed in CHO cells by IonWorks assay


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


Article DOI: 10.1016/j.bmcl.2012.06.105
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(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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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHO cells by IonWorks HT assay


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


Article DOI: 10.1016/j.bmcl.2012.06.105
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(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 2.51E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHO cells by IonWorks HT assay


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


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


(Homo sapiens (Human))
BDBM50390086
PNG
(CHEMBL2069417)
Show SMILES COCCn1nc(C)c(n1)C(=O)N[C@@H]1COc2cccc(-c3ccncc3)c2C1 |r|
Show InChI InChI=1S/C21H23N5O3/c1-14-20(25-26(24-14)10-11-28-2)21(27)23-16-12-18-17(15-6-8-22-9-7-15)4-3-5-19(18)29-13-16/h3-9,16H,10-13H2,1-2H3,(H,23,27)/t16-/m0/s1
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n/an/a 2.51E+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
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(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>3.16E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHO cells by IonWorks HT assay


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


Article DOI: 10.1016/j.bmcl.2012.06.105
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50390086
PNG
(CHEMBL2069417)
Show SMILES COCCn1nc(C)c(n1)C(=O)N[C@@H]1COc2cccc(-c3ccncc3)c2C1 |r|
Show InChI InChI=1S/C21H23N5O3/c1-14-20(25-26(24-14)10-11-28-2)21(27)23-16-12-18-17(15-6-8-22-9-7-15)4-3-5-19(18)29-13-16/h3-9,16H,10-13H2,1-2H3,(H,23,27)/t16-/m0/s1
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n/an/a>3.16E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.5 expressed in CHO cells by IonWorks assay


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


Article DOI: 10.1016/j.bmcl.2012.06.105
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50390088
PNG
(CHEMBL2069419)
Show SMILES CC(C)Cn1nc(C)c(n1)C(=O)N[C@@H]1COc2cccc(-c3cccnc3)c2C1 |r|
Show InChI InChI=1S/C22H25N5O2/c1-14(2)12-27-25-15(3)21(26-27)22(28)24-17-10-19-18(16-6-5-9-23-11-16)7-4-8-20(19)29-13-17/h4-9,11,14,17H,10,12-13H2,1-3H3,(H,24,28)/t17-/m0/s1
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n/an/a>3.16E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.5 expressed in CHO cells by IonWorks assay


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


Article DOI: 10.1016/j.bmcl.2012.06.105
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(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>3.16E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHO cells by IonWorks HT assay


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


Article DOI: 10.1016/j.bmcl.2012.06.105
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50390085
PNG
(CHEMBL2069416)
Show SMILES Cc1nn(nc1C(=O)N[C@@H]1COc2cccc(-c3ccncc3)c2C1)-c1ccccc1 |r|
Show InChI InChI=1S/C24H21N5O2/c1-16-23(28-29(27-16)19-6-3-2-4-7-19)24(30)26-18-14-21-20(17-10-12-25-13-11-17)8-5-9-22(21)31-15-18/h2-13,18H,14-15H2,1H3,(H,26,30)/t18-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.5 expressed in CHO cells by IonWorks assay


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


Article DOI: 10.1016/j.bmcl.2012.06.105
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50390087
PNG
(CHEMBL2069418)
Show SMILES COCCn1nc(C)c(n1)C(=O)N[C@@H]1COc2cccc(-c3cccnc3)c2C1 |r|
Show InChI InChI=1S/C21H23N5O3/c1-14-20(25-26(24-14)9-10-28-2)21(27)23-16-11-18-17(15-5-4-8-22-12-15)6-3-7-19(18)29-13-16/h3-8,12,16H,9-11,13H2,1-2H3,(H,23,27)/t16-/m0/s1
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n/an/a>3.16E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.5 expressed in CHO cells by IonWorks assay


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


Article DOI: 10.1016/j.bmcl.2012.06.105
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%