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Compile Data Set for Download or QSAR

Found 293 hits from AbbVie   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM50017659
PNG
(2-(Dimethylamino)ethyl p-(butylamino)benzoate | 2-...)
Show SMILES CCCCNc1ccc(cc1)C(=O)OCCN(C)C
Show InChI InChI=1S/C15H24N2O2/c1-4-5-10-16-14-8-6-13(7-9-14)15(18)19-12-11-17(2)3/h6-9,16H,4-5,10-12H2,1-3H3
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n/an/a 56n/an/an/an/an/an/a



AbbVie

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Nav1.7 expressed in HEK293F cells preincubated for 40 mins followed by DiSBAC2 substrate addition measured after 90 m...


J Med Chem 59: 3373-91 (2016)

More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM50500962
PNG
(CHEMBL3798242)
Show SMILES CC(Oc1nn(-c2ccccc2F)c2ccc(F)cc12)C(=O)N1CCOCC1
Show InChI InChI=1S/C20H19F2N3O3/c1-13(20(26)24-8-10-27-11-9-24)28-19-15-12-14(21)6-7-17(15)25(23-19)18-5-3-2-4-16(18)22/h2-7,12-13H,8-11H2,1H3
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n/an/a 110n/an/an/an/an/an/a



AbbVie

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Nav1.7 expressed in HEK293F cells preincubated for 40 mins followed by DiSBAC2 substrate addition measured after 90 m...


J Med Chem 59: 3373-91 (2016)

More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM50500957
PNG
(CHEMBL3798039)
Show SMILES F[C@H]1CCN(C1)C(=O)CN1CCN(CC1=O)c1cccc2n(ncc12)-c1ccccc1F
Show InChI InChI=1S/C23H23F2N5O2/c24-16-8-9-28(13-16)23(32)15-29-11-10-27(14-22(29)31)19-6-3-7-20-17(19)12-26-30(20)21-5-2-1-4-18(21)25/h1-7,12,16H,8-11,13-15H2/t16-/m0/s1
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n/an/a 190n/an/an/an/an/an/a



AbbVie

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Nav1.7 expressed in HEK293F cells preincubated for 40 mins followed by DiSBAC2 substrate addition measured after 90 m...


J Med Chem 59: 3373-91 (2016)

More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM344740
PNG
(1-[1-(2-fluorophenyl)-1H-indazol-4-yl]-3-[(6-methy...)
Show SMILES Cc1cncc(CN2CCN(C2=O)c2cccc3n(ncc23)-c2ccccc2F)n1
Show InChI InChI=1S/C22H19FN6O/c1-15-11-24-12-16(26-15)14-27-9-10-28(22(27)30)19-7-4-8-20-17(19)13-25-29(20)21-6-3-2-5-18(21)23/h2-8,11-13H,9-10,14H2,1H3
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n/an/a 270n/an/an/an/an/an/a



AbbVie

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Nav1.7 expressed in HEK293F cells preincubated for 40 mins followed by DiSBAC2 substrate addition measured after 90 m...


J Med Chem 59: 3373-91 (2016)

More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM50500965
PNG
(CHEMBL3799372)
Show SMILES CN1CCN(CCOc2nn(-c3ccccc3F)c3ccc(F)cc23)C1=O
Show InChI InChI=1S/C19H18F2N4O2/c1-23-8-9-24(19(23)26)10-11-27-18-14-12-13(20)6-7-16(14)25(22-18)17-5-3-2-4-15(17)21/h2-7,12H,8-11H2,1H3
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n/an/a 320n/an/an/an/an/an/a



AbbVie

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Nav1.7 expressed in HEK293F cells preincubated for 40 mins followed by DiSBAC2 substrate addition measured after 90 m...


J Med Chem 59: 3373-91 (2016)

More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM50017659
PNG
(2-(Dimethylamino)ethyl p-(butylamino)benzoate | 2-...)
Show SMILES CCCCNc1ccc(cc1)C(=O)OCCN(C)C
Show InChI InChI=1S/C15H24N2O2/c1-4-5-10-16-14-8-6-13(7-9-14)15(18)19-12-11-17(2)3/h6-9,16H,4-5,10-12H2,1-3H3
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n/an/a 320n/an/an/an/an/an/a



AbbVie

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK293F cells measured at -65 mV holding potential by voltage-patch clamp method


J Med Chem 59: 3373-91 (2016)

More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM344718
PNG
(1-[1-(2-fluorophenyl)-1H-indazol-4-yl]-3-(pyridin-...)
Show SMILES Fc1ccccc1-n1ncc2c(cccc12)N1CCN(C1=O)c1ccncc1
Show InChI InChI=1S/C21H16FN5O/c22-17-4-1-2-5-20(17)27-19-7-3-6-18(16(19)14-24-27)26-13-12-25(21(26)28)15-8-10-23-11-9-15/h1-11,14H,12-13H2
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n/an/a 330n/an/an/an/an/an/a



AbbVie

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK293F cells measured at -65 mV holding potential by Qpatch clamp method


J Med Chem 59: 3373-91 (2016)

More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM50500958
PNG
(CHEMBL3798320)
Show SMILES CC(C)(O)CC(=O)N1C[C@H]2CN(C(=O)[C@H]2C1)c1cccc2n(ncc12)-c1ccccc1F
Show InChI InChI=1S/C24H25FN4O3/c1-24(2,32)10-22(30)27-12-15-13-28(23(31)17(15)14-27)19-8-5-9-20-16(19)11-26-29(20)21-7-4-3-6-18(21)25/h3-9,11,15,17,32H,10,12-14H2,1-2H3/t15-,17-/m0/s1
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n/an/a 340n/an/an/an/an/an/a



AbbVie

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK293F cells measured at -65 mV holding potential by voltage-patch clamp method


J Med Chem 59: 3373-91 (2016)

More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM344708
PNG
(1-[1-(2-fluorophenyl)-1H-indazol-4-yl]-3-{2-[(3S)-...)
Show SMILES F[C@H]1CCN(C1)C(=O)CN1CCN(C1=O)c1cccc2n(ncc12)-c1ccccc1F
Show InChI InChI=1S/C22H21F2N5O2/c23-15-8-9-26(13-15)21(30)14-27-10-11-28(22(27)31)18-6-3-7-19-16(18)12-25-29(19)20-5-2-1-4-17(20)24/h1-7,12,15H,8-11,13-14H2/t15-/m0/s1
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AbbVie

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Nav1.7 expressed in HEK293F cells preincubated for 40 mins followed by DiSBAC2 substrate addition measured after 90 m...


J Med Chem 59: 3373-91 (2016)

More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM344708
PNG
(1-[1-(2-fluorophenyl)-1H-indazol-4-yl]-3-{2-[(3S)-...)
Show SMILES F[C@H]1CCN(C1)C(=O)CN1CCN(C1=O)c1cccc2n(ncc12)-c1ccccc1F
Show InChI InChI=1S/C22H21F2N5O2/c23-15-8-9-26(13-15)21(30)14-27-10-11-28(22(27)31)18-6-3-7-19-16(18)12-25-29(19)20-5-2-1-4-17(20)24/h1-7,12,15H,8-11,13-14H2/t15-/m0/s1
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n/an/a 480n/an/an/an/an/an/a



AbbVie

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK293F cells measured at -65 mV holding potential by Qpatch clamp method


J Med Chem 59: 3373-91 (2016)

More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM50017659
PNG
(2-(Dimethylamino)ethyl p-(butylamino)benzoate | 2-...)
Show SMILES CCCCNc1ccc(cc1)C(=O)OCCN(C)C
Show InChI InChI=1S/C15H24N2O2/c1-4-5-10-16-14-8-6-13(7-9-14)15(18)19-12-11-17(2)3/h6-9,16H,4-5,10-12H2,1-3H3
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n/an/a 490n/an/an/an/an/an/a



AbbVie

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Nav1.2 expressed in HEK293 cells preincubated for 40 mins followed by DiSBAC2 substrate addition measured after 90 mi...


J Med Chem 59: 3373-91 (2016)

More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM50017659
PNG
(2-(Dimethylamino)ethyl p-(butylamino)benzoate | 2-...)
Show SMILES CCCCNc1ccc(cc1)C(=O)OCCN(C)C
Show InChI InChI=1S/C15H24N2O2/c1-4-5-10-16-14-8-6-13(7-9-14)15(18)19-12-11-17(2)3/h6-9,16H,4-5,10-12H2,1-3H3
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n/an/a 520n/an/an/an/an/an/a



AbbVie

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Nav1.6 expressed in HEK293 cells preincubated for 40 mins followed by DiSBAC2 substrate addition measured after 90 mi...


J Med Chem 59: 3373-91 (2016)

More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM50500957
PNG
(CHEMBL3798039)
Show SMILES F[C@H]1CCN(C1)C(=O)CN1CCN(CC1=O)c1cccc2n(ncc12)-c1ccccc1F
Show InChI InChI=1S/C23H23F2N5O2/c24-16-8-9-28(13-16)23(32)15-29-11-10-27(14-22(29)31)19-6-3-7-20-17(19)12-26-30(20)21-5-2-1-4-18(21)25/h1-7,12,16H,8-11,13-15H2/t16-/m0/s1
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AbbVie

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK293F cells measured at -65 mV holding potential by Qpatch clamp method


J Med Chem 59: 3373-91 (2016)

More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM344708
PNG
(1-[1-(2-fluorophenyl)-1H-indazol-4-yl]-3-{2-[(3S)-...)
Show SMILES F[C@H]1CCN(C1)C(=O)CN1CCN(C1=O)c1cccc2n(ncc12)-c1ccccc1F
Show InChI InChI=1S/C22H21F2N5O2/c23-15-8-9-26(13-15)21(30)14-27-10-11-28(22(27)31)18-6-3-7-19-16(18)12-25-29(19)20-5-2-1-4-17(20)24/h1-7,12,15H,8-11,13-14H2/t15-/m0/s1
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AbbVie

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK293F cells measured at -65 mV holding potential by voltage-patch clamp method


J Med Chem 59: 3373-91 (2016)

More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM344706
PNG
(1-[1-(2-fluorophenyl)-1H-indazol-4-yl]-3-(4-methyl...)
Show SMILES CC(C)CC(=O)CN1CCN(C1=O)c1cccc2n(ncc12)-c1ccccc1F
Show InChI InChI=1S/C22H23FN4O2/c1-15(2)12-16(28)14-25-10-11-26(22(25)29)19-8-5-9-20-17(19)13-24-27(20)21-7-4-3-6-18(21)23/h3-9,13,15H,10-12,14H2,1-2H3
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AbbVie

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Nav1.7 expressed in HEK293F cells preincubated for 40 mins followed by DiSBAC2 substrate addition measured after 90 m...


J Med Chem 59: 3373-91 (2016)

More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM50500966
PNG
(CHEMBL3797487)
Show SMILES CC(C)(C)OC(=O)NCCOc1cccc2n(ncc12)-c1ccccc1F
Show InChI InChI=1S/C20H22FN3O3/c1-20(2,3)27-19(25)22-11-12-26-18-10-6-9-16-14(18)13-23-24(16)17-8-5-4-7-15(17)21/h4-10,13H,11-12H2,1-3H3,(H,22,25)
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AbbVie

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Nav1.7 expressed in HEK293F cells preincubated for 40 mins followed by DiSBAC2 substrate addition measured after 90 m...


J Med Chem 59: 3373-91 (2016)

More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM50500956
PNG
(CHEMBL3800069)
Show SMILES Fc1ccccc1-n1ncc2c(cccc12)N1CC2CN(Cc3ccccc3)CC2C1=O
Show InChI InChI=1S/C26H23FN4O/c27-22-9-4-5-10-25(22)31-24-12-6-11-23(20(24)13-28-31)30-16-19-15-29(17-21(19)26(30)32)14-18-7-2-1-3-8-18/h1-13,19,21H,14-17H2
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AbbVie

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Nav1.7 expressed in HEK293F cells preincubated for 40 mins followed by DiSBAC2 substrate addition measured after 90 m...


J Med Chem 59: 3373-91 (2016)

More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM50500962
PNG
(CHEMBL3798242)
Show SMILES CC(Oc1nn(-c2ccccc2F)c2ccc(F)cc12)C(=O)N1CCOCC1
Show InChI InChI=1S/C20H19F2N3O3/c1-13(20(26)24-8-10-27-11-9-24)28-19-15-12-14(21)6-7-17(15)25(23-19)18-5-3-2-4-16(18)22/h2-7,12-13H,8-11H2,1H3
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AbbVie

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK293F cells measured at -65 mV holding potential by Qpatch clamp method


J Med Chem 59: 3373-91 (2016)

More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM50017659
PNG
(2-(Dimethylamino)ethyl p-(butylamino)benzoate | 2-...)
Show SMILES CCCCNc1ccc(cc1)C(=O)OCCN(C)C
Show InChI InChI=1S/C15H24N2O2/c1-4-5-10-16-14-8-6-13(7-9-14)15(18)19-12-11-17(2)3/h6-9,16H,4-5,10-12H2,1-3H3
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AbbVie

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.5 expressed in HEK293 cells by whole cell-patch clamp method


J Med Chem 59: 3373-91 (2016)

More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM344699
PNG
(US9783527, Example 2 | tert-butyl 3-[1-(2-fluoroph...)
Show SMILES CC(C)(C)OC(=O)N1CCN(C1=O)c1cccc2n(ncc12)-c1ccccc1F
Show InChI InChI=1S/C21H21FN4O3/c1-21(2,3)29-20(28)25-12-11-24(19(25)27)16-9-6-10-17-14(16)13-23-26(17)18-8-5-4-7-15(18)22/h4-10,13H,11-12H2,1-3H3
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AbbVie

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Nav1.7 expressed in HEK293F cells preincubated for 40 mins followed by DiSBAC2 substrate addition measured after 90 m...


J Med Chem 59: 3373-91 (2016)

More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM50017659
PNG
(2-(Dimethylamino)ethyl p-(butylamino)benzoate | 2-...)
Show SMILES CCCCNc1ccc(cc1)C(=O)OCCN(C)C
Show InChI InChI=1S/C15H24N2O2/c1-4-5-10-16-14-8-6-13(7-9-14)15(18)19-12-11-17(2)3/h6-9,16H,4-5,10-12H2,1-3H3
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n/an/a 740n/an/an/an/an/an/a



AbbVie

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Nav1.3 expressed in HEK293 cells preincubated for 40 mins followed by DiSBAC2 substrate addition measured after 90 mi...


J Med Chem 59: 3373-91 (2016)

More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM50500963
PNG
(CHEMBL3798493)
Show SMILES Fc1ccc2n(nc(OCC(=O)N3CCOCC3)c2c1)-c1ccccc1F
Show InChI InChI=1S/C19H17F2N3O3/c20-13-5-6-16-14(11-13)19(22-24(16)17-4-2-1-3-15(17)21)27-12-18(25)23-7-9-26-10-8-23/h1-6,11H,7-10,12H2
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AbbVie

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Nav1.7 expressed in HEK293F cells preincubated for 40 mins followed by DiSBAC2 substrate addition measured after 90 m...


J Med Chem 59: 3373-91 (2016)

More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM344698
PNG
(1-[1-(2-fluorophenyl)-1H-indazol-4-yl]-3-[2-oxo-2-...)
Show SMILES Fc1ccccc1-n1ncc2c(cccc12)N1CCN(CC(=O)N2CCCC2)C1=O
Show InChI InChI=1S/C22H22FN5O2/c23-17-6-1-2-7-20(17)28-19-9-5-8-18(16(19)14-24-28)27-13-12-26(22(27)30)15-21(29)25-10-3-4-11-25/h1-2,5-9,14H,3-4,10-13,15H2
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n/an/a 810n/an/an/an/an/an/a



AbbVie

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Nav1.7 expressed in HEK293F cells preincubated for 40 mins followed by DiSBAC2 substrate addition measured after 90 m...


J Med Chem 59: 3373-91 (2016)

More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM344700
PNG
(2-{3-[1-(2-fluorophenyl)-1H-indazol-4-yl]-2-oxoimi...)
Show SMILES NC(=O)CN1CCN(C1=O)c1cccc2n(ncc12)-c1ccccc1F
Show InChI InChI=1S/C18H16FN5O2/c19-13-4-1-2-5-16(13)24-15-7-3-6-14(12(15)10-21-24)23-9-8-22(18(23)26)11-17(20)25/h1-7,10H,8-9,11H2,(H2,20,25)
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n/an/a 840n/an/an/an/an/an/a



AbbVie

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Nav1.7 expressed in HEK293F cells preincubated for 40 mins followed by DiSBAC2 substrate addition measured after 90 m...


J Med Chem 59: 3373-91 (2016)

More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM344771
PNG
(1-[1-(2-fluorophenyl)-1H- | 1-[1-(2-fluorophenyl)-...)
Show SMILES F[C@@H]1CCN(C1)C(=O)CN1CCN(C1=O)c1cccc2n(ncc12)-c1ccccc1F
Show InChI InChI=1S/C22H21F2N5O2/c23-15-8-9-26(13-15)21(30)14-27-10-11-28(22(27)31)18-6-3-7-19-16(18)12-25-29(19)20-5-2-1-4-17(20)24/h1-7,12,15H,8-11,13-14H2/t15-/m1/s1
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n/an/a 900n/an/an/an/an/an/a



AbbVie

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Nav1.7 expressed in HEK293F cells preincubated for 40 mins followed by DiSBAC2 substrate addition measured after 90 m...


J Med Chem 59: 3373-91 (2016)

More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM344711
PNG
(N-cyclopropyl-2-{3-[1-(2-fluorophenyl)-1H-indazol-...)
Show SMILES Fc1ccccc1-n1ncc2c(cccc12)N1CCN(CC(=O)NC2CC2)C1=O
Show InChI InChI=1S/C21H20FN5O2/c22-16-4-1-2-5-19(16)27-18-7-3-6-17(15(18)12-23-27)26-11-10-25(21(26)29)13-20(28)24-14-8-9-14/h1-7,12,14H,8-11,13H2,(H,24,28)
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n/an/a 920n/an/an/an/an/an/a



AbbVie

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Nav1.7 expressed in HEK293F cells preincubated for 40 mins followed by DiSBAC2 substrate addition measured after 90 m...


J Med Chem 59: 3373-91 (2016)

More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM50500964
PNG
(CHEMBL3799617)
Show SMILES Fc1ccc2n(nc(OCCn3cc[nH]c3=O)c2c1)-c1ccccc1F
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n/an/a 960n/an/an/an/an/an/a



AbbVie

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Nav1.7 expressed in HEK293F cells preincubated for 40 mins followed by DiSBAC2 substrate addition measured after 90 m...


J Med Chem 59: 3373-91 (2016)

More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM344698
PNG
(1-[1-(2-fluorophenyl)-1H-indazol-4-yl]-3-[2-oxo-2-...)
Show SMILES Fc1ccccc1-n1ncc2c(cccc12)N1CCN(CC(=O)N2CCCC2)C1=O
Show InChI InChI=1S/C22H22FN5O2/c23-17-6-1-2-7-20(17)28-19-9-5-8-18(16(19)14-24-28)27-13-12-26(22(27)30)15-21(29)25-10-3-4-11-25/h1-2,5-9,14H,3-4,10-13,15H2
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n/an/a 990n/an/an/an/an/an/a



AbbVie

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK293F cells measured at -65 mV holding potential by Qpatch clamp method


J Med Chem 59: 3373-91 (2016)

More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM50500963
PNG
(CHEMBL3798493)
Show SMILES Fc1ccc2n(nc(OCC(=O)N3CCOCC3)c2c1)-c1ccccc1F
Show InChI InChI=1S/C19H17F2N3O3/c20-13-5-6-16-14(11-13)19(22-24(16)17-4-2-1-3-15(17)21)27-12-18(25)23-7-9-26-10-8-23/h1-6,11H,7-10,12H2
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n/an/a 1.00E+3n/an/an/an/an/an/a



AbbVie

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.5 expressed in HEK293 cells by whole cell-patch clamp method


J Med Chem 59: 3373-91 (2016)

More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM344711
PNG
(N-cyclopropyl-2-{3-[1-(2-fluorophenyl)-1H-indazol-...)
Show SMILES Fc1ccccc1-n1ncc2c(cccc12)N1CCN(CC(=O)NC2CC2)C1=O
Show InChI InChI=1S/C21H20FN5O2/c22-16-4-1-2-5-19(16)27-18-7-3-6-17(15(18)12-23-27)26-11-10-25(21(26)29)13-20(28)24-14-8-9-14/h1-7,12,14H,8-11,13H2,(H,24,28)
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n/an/a 1.10E+3n/an/an/an/an/an/a



AbbVie

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK293F cells measured at -65 mV holding potential by Qpatch clamp method


J Med Chem 59: 3373-91 (2016)

More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM344752
PNG
(1-[1-(2-fluorophenyl)-1H-indazol-4-yl]-3-{2-[(3S)-...)
Show SMILES F[C@H]1CCCN(C1)C(=O)CN1CCN(C1=O)c1cccc2n(ncc12)-c1ccccc1F
Show InChI InChI=1S/C23H23F2N5O2/c24-16-5-4-10-27(14-16)22(31)15-28-11-12-29(23(28)32)19-8-3-9-20-17(19)13-26-30(20)21-7-2-1-6-18(21)25/h1-3,6-9,13,16H,4-5,10-12,14-15H2/t16-/m0/s1
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AbbVie

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Nav1.7 expressed in HEK293F cells preincubated for 40 mins followed by DiSBAC2 substrate addition measured after 90 m...


J Med Chem 59: 3373-91 (2016)

More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM50500955
PNG
(CHEMBL3797315)
Show SMILES Fc1ccc2n(nc(OCCn3ccnc3)c2c1)-c1ccccc1F
Show InChI InChI=1S/C18H14F2N4O/c19-13-5-6-16-14(11-13)18(25-10-9-23-8-7-21-12-23)22-24(16)17-4-2-1-3-15(17)20/h1-8,11-12H,9-10H2
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AbbVie

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Nav1.7 expressed in HEK293F cells preincubated for 40 mins followed by DiSBAC2 substrate addition measured after 90 m...


J Med Chem 59: 3373-91 (2016)

More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM50500965
PNG
(CHEMBL3799372)
Show SMILES CN1CCN(CCOc2nn(-c3ccccc3F)c3ccc(F)cc23)C1=O
Show InChI InChI=1S/C19H18F2N4O2/c1-23-8-9-24(19(23)26)10-11-27-18-14-12-13(20)6-7-16(14)25(22-18)17-5-3-2-4-15(17)21/h2-7,12H,8-11H2,1H3
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AbbVie

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK293F cells measured at -65 mV holding potential by Qpatch clamp method


J Med Chem 59: 3373-91 (2016)

More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM50500959
PNG
(CHEMBL3799939)
Show SMILES CC(C)(O)CC(=O)N1CC[C@H]2CN(C(=O)[C@@H]12)c1cccc2n(ncc12)-c1ccccc1F
Show InChI InChI=1S/C24H25FN4O3/c1-24(2,32)12-21(30)27-11-10-15-14-28(23(31)22(15)27)18-8-5-9-19-16(18)13-26-29(19)20-7-4-3-6-17(20)25/h3-9,13,15,22,32H,10-12,14H2,1-2H3/t15-,22-/m0/s1
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n/an/a 1.35E+3n/an/an/an/an/an/a



AbbVie

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Nav1.7 expressed in HEK293F cells preincubated for 40 mins followed by DiSBAC2 substrate addition measured after 90 m...


J Med Chem 59: 3373-91 (2016)

More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM50500963
PNG
(CHEMBL3798493)
Show SMILES Fc1ccc2n(nc(OCC(=O)N3CCOCC3)c2c1)-c1ccccc1F
Show InChI InChI=1S/C19H17F2N3O3/c20-13-5-6-16-14(11-13)19(22-24(16)17-4-2-1-3-15(17)21)27-12-18(25)23-7-9-26-10-8-23/h1-6,11H,7-10,12H2
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n/an/a 1.40E+3n/an/an/an/an/an/a



AbbVie

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK293F cells measured at -65 mV holding potential by Qpatch clamp method


J Med Chem 59: 3373-91 (2016)

More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM344729
PNG
(1-[1-(2-fluorophenyl)-1H-indazol-4-yl]-3-(1,3-oxaz...)
Show SMILES Fc1ccccc1-n1ncc2c(cccc12)N1CCN(Cc2ncco2)C1=O
Show InChI InChI=1S/C20H16FN5O2/c21-15-4-1-2-5-18(15)26-17-7-3-6-16(14(17)12-23-26)25-10-9-24(20(25)27)13-19-22-8-11-28-19/h1-8,11-12H,9-10,13H2
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AbbVie

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Nav1.7 expressed in HEK293F cells preincubated for 40 mins followed by DiSBAC2 substrate addition measured after 90 m...


J Med Chem 59: 3373-91 (2016)

More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM344718
PNG
(1-[1-(2-fluorophenyl)-1H-indazol-4-yl]-3-(pyridin-...)
Show SMILES Fc1ccccc1-n1ncc2c(cccc12)N1CCN(C1=O)c1ccncc1
Show InChI InChI=1S/C21H16FN5O/c22-17-4-1-2-5-20(17)27-19-7-3-6-18(16(19)14-24-27)26-13-12-25(21(26)28)15-8-10-23-11-9-15/h1-11,14H,12-13H2
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AbbVie

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Nav1.7 expressed in HEK293F cells preincubated for 40 mins followed by DiSBAC2 substrate addition measured after 90 m...


J Med Chem 59: 3373-91 (2016)

More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM50500961
PNG
(CHEMBL3798363)
Show SMILES Fc1ccc2n(nc(OCCN3CCNC3=O)c2c1)-c1ccccc1F
Show InChI InChI=1S/C18H16F2N4O2/c19-12-5-6-15-13(11-12)17(26-10-9-23-8-7-21-18(23)25)22-24(15)16-4-2-1-3-14(16)20/h1-6,11H,7-10H2,(H,21,25)
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n/an/a 1.90E+3n/an/an/an/an/an/a



AbbVie

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Nav1.7 expressed in HEK293F cells preincubated for 40 mins followed by DiSBAC2 substrate addition measured after 90 m...


J Med Chem 59: 3373-91 (2016)

More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM50500955
PNG
(CHEMBL3797315)
Show SMILES Fc1ccc2n(nc(OCCn3ccnc3)c2c1)-c1ccccc1F
Show InChI InChI=1S/C18H14F2N4O/c19-13-5-6-16-14(11-13)18(25-10-9-23-8-7-21-12-23)22-24(16)17-4-2-1-3-15(17)20/h1-8,11-12H,9-10H2
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AbbVie

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.5 expressed in HEK293 cells by whole cell-patch clamp method


J Med Chem 59: 3373-91 (2016)

More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM50500960
PNG
(CHEMBL3800304)
Show SMILES Fc1ccc(c(F)c1)-n1nc(OCCN2CCNC2=O)c2cc(F)ccc12
Show InChI InChI=1S/C18H15F3N4O2/c19-11-1-3-15-13(9-11)17(27-8-7-24-6-5-22-18(24)26)23-25(15)16-4-2-12(20)10-14(16)21/h1-4,9-10H,5-8H2,(H,22,26)
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AbbVie

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Nav1.7 expressed in HEK293F cells preincubated for 40 mins followed by DiSBAC2 substrate addition measured after 90 m...


J Med Chem 59: 3373-91 (2016)

More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM344699
PNG
(US9783527, Example 2 | tert-butyl 3-[1-(2-fluoroph...)
Show SMILES CC(C)(C)OC(=O)N1CCN(C1=O)c1cccc2n(ncc12)-c1ccccc1F
Show InChI InChI=1S/C21H21FN4O3/c1-21(2,3)29-20(28)25-12-11-24(19(25)27)16-9-6-10-17-14(16)13-23-26(17)18-8-5-4-7-15(18)22/h4-10,13H,11-12H2,1-3H3
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n/an/a 2.30E+3n/an/an/an/an/an/a



AbbVie

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK293F cells measured at -65 mV holding potential by Qpatch clamp method


J Med Chem 59: 3373-91 (2016)

More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM344700
PNG
(2-{3-[1-(2-fluorophenyl)-1H-indazol-4-yl]-2-oxoimi...)
Show SMILES NC(=O)CN1CCN(C1=O)c1cccc2n(ncc12)-c1ccccc1F
Show InChI InChI=1S/C18H16FN5O2/c19-13-4-1-2-5-16(13)24-15-7-3-6-14(12(15)10-21-24)23-9-8-22(18(23)26)11-17(20)25/h1-7,10H,8-9,11H2,(H2,20,25)
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n/an/a 2.50E+3n/an/an/an/an/an/a



AbbVie

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK293F cells measured at -65 mV holding potential by Qpatch clamp method


J Med Chem 59: 3373-91 (2016)

More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM50500956
PNG
(CHEMBL3800069)
Show SMILES Fc1ccccc1-n1ncc2c(cccc12)N1CC2CN(Cc3ccccc3)CC2C1=O
Show InChI InChI=1S/C26H23FN4O/c27-22-9-4-5-10-25(22)31-24-12-6-11-23(20(24)13-28-31)30-16-19-15-29(17-21(19)26(30)32)14-18-7-2-1-3-8-18/h1-13,19,21H,14-17H2
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n/an/a 2.50E+3n/an/an/an/an/an/a



AbbVie

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.5 expressed in HEK293 cells by whole cell-patch clamp method


J Med Chem 59: 3373-91 (2016)

More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM50500954
PNG
(CHEMBL3799951)
Show SMILES Fc1ccc2n(nc(OCCN3CCOC3=O)c2c1)-c1ccccc1F
Show InChI InChI=1S/C18H15F2N3O3/c19-12-5-6-15-13(11-12)17(25-9-7-22-8-10-26-18(22)24)21-23(15)16-4-2-1-3-14(16)20/h1-6,11H,7-10H2
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n/an/a 2.60E+3n/an/an/an/an/an/a



AbbVie

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Nav1.7 expressed in HEK293F cells preincubated for 40 mins followed by DiSBAC2 substrate addition measured after 90 m...


J Med Chem 59: 3373-91 (2016)

More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM50500961
PNG
(CHEMBL3798363)
Show SMILES Fc1ccc2n(nc(OCCN3CCNC3=O)c2c1)-c1ccccc1F
Show InChI InChI=1S/C18H16F2N4O2/c19-12-5-6-15-13(11-12)17(26-10-9-23-8-7-21-18(23)25)22-24(15)16-4-2-1-3-14(16)20/h1-6,11H,7-10H2,(H,21,25)
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n/an/a 2.60E+3n/an/an/an/an/an/a



AbbVie

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Nav1.2 expressed in HEK293 cells preincubated for 40 mins followed by DiSBAC2 substrate addition measured after 90 mi...


J Med Chem 59: 3373-91 (2016)

More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM50500961
PNG
(CHEMBL3798363)
Show SMILES Fc1ccc2n(nc(OCCN3CCNC3=O)c2c1)-c1ccccc1F
Show InChI InChI=1S/C18H16F2N4O2/c19-12-5-6-15-13(11-12)17(26-10-9-23-8-7-21-18(23)25)22-24(15)16-4-2-1-3-14(16)20/h1-6,11H,7-10H2,(H,21,25)
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n/an/a 2.70E+3n/an/an/an/an/an/a



AbbVie

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK293F cells measured at -65 mV holding potential by Qpatch clamp method


J Med Chem 59: 3373-91 (2016)

More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM344705
PNG
(1-[1-(2-fluorophenyl)-1H-indazol-4-yl]-3-{2-[(3S)-...)
Show SMILES O[C@H]1CCN(C1)C(=O)CN1CCN(C1=O)c1cccc2n(ncc12)-c1ccccc1F
Show InChI InChI=1S/C22H22FN5O3/c23-17-4-1-2-5-20(17)28-19-7-3-6-18(16(19)12-24-28)27-11-10-26(22(27)31)14-21(30)25-9-8-15(29)13-25/h1-7,12,15,29H,8-11,13-14H2/t15-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
PubMed
n/an/a 2.72E+3n/an/an/an/an/an/a



AbbVie

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Nav1.7 expressed in HEK293F cells preincubated for 40 mins followed by DiSBAC2 substrate addition measured after 90 m...


J Med Chem 59: 3373-91 (2016)

More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM50500961
PNG
(CHEMBL3798363)
Show SMILES Fc1ccc2n(nc(OCCN3CCNC3=O)c2c1)-c1ccccc1F
Show InChI InChI=1S/C18H16F2N4O2/c19-12-5-6-15-13(11-12)17(26-10-9-23-8-7-21-18(23)25)22-24(15)16-4-2-1-3-14(16)20/h1-6,11H,7-10H2,(H,21,25)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
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UniChem
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n/an/a 2.80E+3n/an/an/an/an/an/a



AbbVie

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.5 expressed in HEK293 cells by whole cell-patch clamp method


J Med Chem 59: 3373-91 (2016)

More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM344718
PNG
(1-[1-(2-fluorophenyl)-1H-indazol-4-yl]-3-(pyridin-...)
Show SMILES Fc1ccccc1-n1ncc2c(cccc12)N1CCN(C1=O)c1ccncc1
Show InChI InChI=1S/C21H16FN5O/c22-17-4-1-2-5-20(17)27-19-7-3-6-18(16(19)14-24-27)26-13-12-25(21(26)28)15-8-10-23-11-9-15/h1-11,14H,12-13H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
PubMed
n/an/a 3.10E+3n/an/an/an/an/an/a



AbbVie

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.5 expressed in HEK293 cells by whole cell-patch clamp method


J Med Chem 59: 3373-91 (2016)

More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM50500960
PNG
(CHEMBL3800304)
Show SMILES Fc1ccc(c(F)c1)-n1nc(OCCN2CCNC2=O)c2cc(F)ccc12
Show InChI InChI=1S/C18H15F3N4O2/c19-11-1-3-15-13(9-11)17(27-8-7-24-6-5-22-18(24)26)23-25(15)16-4-2-12(20)10-14(16)21/h1-4,9-10H,5-8H2,(H,22,26)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
UniChem
PubMed
n/an/a 3.40E+3n/an/an/an/an/an/a



AbbVie

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.5 expressed in HEK293 cells by whole cell-patch clamp method


J Med Chem 59: 3373-91 (2016)

More data for this
Ligand-Target Pair
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