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Compile Data Set for Download or QSAR

Found 45 hits Enz. Inhib. hit(s) with all data for entry = 50038069   
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 10 subunit alpha


(Homo sapiens (Human))
BDBM50212239
PNG
(5-(4-chlorophenyl)-N-(3,5-dimethoxyphenyl)furan-2-...)
Show SMILES COc1cc(NC(=O)c2ccc(o2)-c2ccc(Cl)cc2)cc(OC)c1
Show InChI InChI=1S/C19H16ClNO4/c1-23-15-9-14(10-16(11-15)24-2)21-19(22)18-8-7-17(25-18)12-3-5-13(20)6-4-12/h3-11H,1-2H3,(H,21,22)
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n/an/a 8n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Nav 1.8 channel expressed in HEK293 cells


J Med Chem 51: 407-16 (2008)


Article DOI: 10.1021/jm070637u
BindingDB Entry DOI: 10.7270/Q2KK9CN7
More data for this
Ligand-Target Pair
Sodium channel protein type X alpha subunit


(Mus musculus)
BDBM50231774
PNG
(5-(4-chlorophenyl)-N-cyano-N'-(3-methylphenyl)fura...)
Show SMILES Cc1cccc(c1)N=C(NC#N)c1ccc(o1)-c1ccc(Cl)cc1 |w:7.7|
Show InChI InChI=1S/C19H14ClN3O/c1-13-3-2-4-16(11-13)23-19(22-12-21)18-10-9-17(24-18)14-5-7-15(20)8-6-14/h2-11H,1H3,(H,22,23)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant Nav 1.8 channel expressed in HEK293 cells by isotopic efflux assay


J Med Chem 51: 407-16 (2008)


Article DOI: 10.1021/jm070637u
BindingDB Entry DOI: 10.7270/Q2KK9CN7
More data for this
Ligand-Target Pair
Sodium channel protein type 10 subunit alpha


(Homo sapiens (Human))
BDBM50231767
PNG
(5-(4-cyanophenyl)-N-(3-methylphenyl)furan-2-carbox...)
Show SMILES Cc1cccc(NC(=O)c2ccc(o2)-c2ccc(cc2)C#N)c1
Show InChI InChI=1S/C19H14N2O2/c1-13-3-2-4-16(11-13)21-19(22)18-10-9-17(23-18)15-7-5-14(12-20)6-8-15/h2-11H,1H3,(H,21,22)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Nav 1.8 channel expressed in HEK293 cells


J Med Chem 51: 407-16 (2008)


Article DOI: 10.1021/jm070637u
BindingDB Entry DOI: 10.7270/Q2KK9CN7
More data for this
Ligand-Target Pair
Sodium channel protein type X alpha subunit


(Mus musculus)
BDBM50231777
PNG
(5-[(4-trifluoromethoxy)phenyl]-N-(3-methylphenyl)f...)
Show SMILES Cc1cccc(NC(=O)c2ccc(o2)-c2ccc(OC(F)(F)F)cc2)c1
Show InChI InChI=1S/C19H14F3NO3/c1-12-3-2-4-14(11-12)23-18(24)17-10-9-16(25-17)13-5-7-15(8-6-13)26-19(20,21)22/h2-11H,1H3,(H,23,24)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant Nav 1.8 channel expressed in HEK293 cells by isotopic efflux assay


J Med Chem 51: 407-16 (2008)


Article DOI: 10.1021/jm070637u
BindingDB Entry DOI: 10.7270/Q2KK9CN7
More data for this
Ligand-Target Pair
Sodium channel protein type X alpha subunit


(Mus musculus)
BDBM50371254
PNG
(CHEMBL429830)
Show SMILES CCOc1ccc(cc1)-c1ccc(o1)C(=O)Nc1cccc(C)c1
Show InChI InChI=1S/C20H19NO3/c1-3-23-17-9-7-15(8-10-17)18-11-12-19(24-18)20(22)21-16-6-4-5-14(2)13-16/h4-13H,3H2,1-2H3,(H,21,22)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant Nav 1.8 channel expressed in HEK293 cells by isotopic efflux assay


J Med Chem 51: 407-16 (2008)


Article DOI: 10.1021/jm070637u
BindingDB Entry DOI: 10.7270/Q2KK9CN7
More data for this
Ligand-Target Pair
Sodium channel protein type X alpha subunit


(Mus musculus)
BDBM50231767
PNG
(5-(4-cyanophenyl)-N-(3-methylphenyl)furan-2-carbox...)
Show SMILES Cc1cccc(NC(=O)c2ccc(o2)-c2ccc(cc2)C#N)c1
Show InChI InChI=1S/C19H14N2O2/c1-13-3-2-4-16(11-13)21-19(22)18-10-9-17(23-18)15-7-5-14(12-20)6-8-15/h2-11H,1H3,(H,21,22)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant Nav 1.8 channel expressed in HEK293 cells by isotopic efflux assay


J Med Chem 51: 407-16 (2008)


Article DOI: 10.1021/jm070637u
BindingDB Entry DOI: 10.7270/Q2KK9CN7
More data for this
Ligand-Target Pair
Sodium channel protein type X alpha subunit


(Mus musculus)
BDBM50231779
PNG
(5-(4-chlorophenyl)-N-(3-methylphenyl)furan-2-carbo...)
Show SMILES Cc1cccc(NC(=O)c2ccc(o2)-c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C18H14ClNO2/c1-12-3-2-4-15(11-12)20-18(21)17-10-9-16(22-17)13-5-7-14(19)8-6-13/h2-11H,1H3,(H,20,21)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant Nav 1.8 channel expressed in HEK293 cells by isotopic efflux assay


J Med Chem 51: 407-16 (2008)


Article DOI: 10.1021/jm070637u
BindingDB Entry DOI: 10.7270/Q2KK9CN7
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50231775
PNG
((R)-5-(4-chlorophenyl)-N-(1-(4-(3-(4-(cyclopropane...)
Show SMILES C[C@@H](NC(=O)c1ccc(o1)-c1ccc(Cl)cc1)C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1 |r|
Show InChI InChI=1S/C31H34ClN3O5/c1-21(33-30(37)28-14-13-27(40-28)22-5-9-25(32)10-6-22)31(38)35-18-16-34(17-19-35)15-2-20-39-26-11-7-24(8-12-26)29(36)23-3-4-23/h5-14,21,23H,2-4,15-20H2,1H3,(H,33,37)/t21-/m1/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of hERG potassium channel expressed in CHO cells by isotope efflux assay


J Med Chem 51: 407-16 (2008)


Article DOI: 10.1021/jm070637u
BindingDB Entry DOI: 10.7270/Q2KK9CN7
More data for this
Ligand-Target Pair
Sodium channel protein type X alpha subunit


(Mus musculus)
BDBM50212239
PNG
(5-(4-chlorophenyl)-N-(3,5-dimethoxyphenyl)furan-2-...)
Show SMILES COc1cc(NC(=O)c2ccc(o2)-c2ccc(Cl)cc2)cc(OC)c1
Show InChI InChI=1S/C19H16ClNO4/c1-23-15-9-14(10-16(11-15)24-2)21-19(22)18-8-7-17(25-18)12-3-5-13(20)6-4-12/h3-11H,1-2H3,(H,21,22)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant Nav 1.8 channel expressed in HEK293 cells by isotopic efflux assay


J Med Chem 51: 407-16 (2008)


Article DOI: 10.1021/jm070637u
BindingDB Entry DOI: 10.7270/Q2KK9CN7
More data for this
Ligand-Target Pair
Sodium channel protein type X alpha subunit


(Mus musculus)
BDBM50231770
PNG
(5-(4-chlorophenyl)-N-[(5-methyl)pyridin-3-yl]furan...)
Show SMILES Cc1ccnc(NC(=O)c2ccc(o2)-c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C17H13ClN2O2/c1-11-8-9-19-16(10-11)20-17(21)15-7-6-14(22-15)12-2-4-13(18)5-3-12/h2-10H,1H3,(H,19,20,21)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant Nav 1.8 channel expressed in HEK293 cells by isotopic efflux assay


J Med Chem 51: 407-16 (2008)


Article DOI: 10.1021/jm070637u
BindingDB Entry DOI: 10.7270/Q2KK9CN7
More data for this
Ligand-Target Pair
Sodium channel protein type X alpha subunit


(Mus musculus)
BDBM50371245
PNG
(CHEMBL399792)
Show SMILES CN1CCOc2cc(NC(=O)c3ccc(o3)-c3ccc(Cl)cc3)ccc12
Show InChI InChI=1S/C20H17ClN2O3/c1-23-10-11-25-19-12-15(6-7-16(19)23)22-20(24)18-9-8-17(26-18)13-2-4-14(21)5-3-13/h2-9,12H,10-11H2,1H3,(H,22,24)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant Nav 1.8 channel expressed in HEK293 cells by isotopic efflux assay


J Med Chem 51: 407-16 (2008)


Article DOI: 10.1021/jm070637u
BindingDB Entry DOI: 10.7270/Q2KK9CN7
More data for this
Ligand-Target Pair
Sodium channel protein type X alpha subunit


(Mus musculus)
BDBM50371253
PNG
(CHEMBL427714)
Show SMILES Cc1ccccc1CNC(=O)c1ccc(o1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C19H16ClNO2/c1-13-4-2-3-5-15(13)12-21-19(22)18-11-10-17(23-18)14-6-8-16(20)9-7-14/h2-11H,12H2,1H3,(H,21,22)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant Nav 1.8 channel expressed in HEK293 cells by isotopic efflux assay


J Med Chem 51: 407-16 (2008)


Article DOI: 10.1021/jm070637u
BindingDB Entry DOI: 10.7270/Q2KK9CN7
More data for this
Ligand-Target Pair
Sodium channel protein type X alpha subunit


(Mus musculus)
BDBM50371252
PNG
(CHEMBL400769)
Show SMILES Clc1ccc(cc1)-c1ccc(o1)C(=O)Nc1cccc(CC#N)c1
Show InChI InChI=1S/C19H13ClN2O2/c20-15-6-4-14(5-7-15)17-8-9-18(24-17)19(23)22-16-3-1-2-13(12-16)10-11-21/h1-9,12H,10H2,(H,22,23)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant Nav 1.8 channel expressed in HEK293 cells by isotopic efflux assay


J Med Chem 51: 407-16 (2008)


Article DOI: 10.1021/jm070637u
BindingDB Entry DOI: 10.7270/Q2KK9CN7
More data for this
Ligand-Target Pair
Sodium channel protein type X alpha subunit


(Mus musculus)
BDBM50371241
PNG
(CHEMBL253560)
Show SMILES Clc1ccc(cc1)-c1ccc(o1)C(=O)NCCc1ccccc1Cl
Show InChI InChI=1S/C19H15Cl2NO2/c20-15-7-5-14(6-8-15)17-9-10-18(24-17)19(23)22-12-11-13-3-1-2-4-16(13)21/h1-10H,11-12H2,(H,22,23)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant Nav 1.8 channel expressed in HEK293 cells by isotopic efflux assay


J Med Chem 51: 407-16 (2008)


Article DOI: 10.1021/jm070637u
BindingDB Entry DOI: 10.7270/Q2KK9CN7
More data for this
Ligand-Target Pair
Sodium channel protein type X alpha subunit


(Mus musculus)
BDBM50231782
PNG
(5-(4-chlorophenyl)-N-(3-methylphenyl)furan-2-carbo...)
Show SMILES Cc1cccc(c1)N=C(N)c1ccc(o1)-c1ccc(Cl)cc1 |w:7.7|
Show InChI InChI=1S/C18H15ClN2O/c1-12-3-2-4-15(11-12)21-18(20)17-10-9-16(22-17)13-5-7-14(19)8-6-13/h2-11H,1H3,(H2,20,21)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant Nav 1.8 channel expressed in HEK293 cells by isotopic efflux assay


J Med Chem 51: 407-16 (2008)


Article DOI: 10.1021/jm070637u
BindingDB Entry DOI: 10.7270/Q2KK9CN7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50212239
PNG
(5-(4-chlorophenyl)-N-(3,5-dimethoxyphenyl)furan-2-...)
Show SMILES COc1cc(NC(=O)c2ccc(o2)-c2ccc(Cl)cc2)cc(OC)c1
Show InChI InChI=1S/C19H16ClNO4/c1-23-15-9-14(10-16(11-15)24-2)21-19(22)18-8-7-17(25-18)12-3-5-13(20)6-4-12/h3-11H,1-2H3,(H,21,22)
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Curated by ChEMBL


Assay Description
Binding affinity to 5HT2A receptor


J Med Chem 51: 407-16 (2008)


Article DOI: 10.1021/jm070637u
BindingDB Entry DOI: 10.7270/Q2KK9CN7
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50231767
PNG
(5-(4-cyanophenyl)-N-(3-methylphenyl)furan-2-carbox...)
Show SMILES Cc1cccc(NC(=O)c2ccc(o2)-c2ccc(cc2)C#N)c1
Show InChI InChI=1S/C19H14N2O2/c1-13-3-2-4-16(11-13)21-19(22)18-10-9-17(23-18)15-7-5-14(12-20)6-8-15/h2-11H,1H3,(H,21,22)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to peripheral benzodiazepine receptor


J Med Chem 51: 407-16 (2008)


Article DOI: 10.1021/jm070637u
BindingDB Entry DOI: 10.7270/Q2KK9CN7
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50212239
PNG
(5-(4-chlorophenyl)-N-(3,5-dimethoxyphenyl)furan-2-...)
Show SMILES COc1cc(NC(=O)c2ccc(o2)-c2ccc(Cl)cc2)cc(OC)c1
Show InChI InChI=1S/C19H16ClNO4/c1-23-15-9-14(10-16(11-15)24-2)21-19(22)18-8-7-17(25-18)12-3-5-13(20)6-4-12/h3-11H,1-2H3,(H,21,22)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.5 channel at 1 uM


J Med Chem 51: 407-16 (2008)


Article DOI: 10.1021/jm070637u
BindingDB Entry DOI: 10.7270/Q2KK9CN7
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50212239
PNG
(5-(4-chlorophenyl)-N-(3,5-dimethoxyphenyl)furan-2-...)
Show SMILES COc1cc(NC(=O)c2ccc(o2)-c2ccc(Cl)cc2)cc(OC)c1
Show InChI InChI=1S/C19H16ClNO4/c1-23-15-9-14(10-16(11-15)24-2)21-19(22)18-8-7-17(25-18)12-3-5-13(20)6-4-12/h3-11H,1-2H3,(H,21,22)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to peripheral benzodiazepine receptor


J Med Chem 51: 407-16 (2008)


Article DOI: 10.1021/jm070637u
BindingDB Entry DOI: 10.7270/Q2KK9CN7
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50212239
PNG
(5-(4-chlorophenyl)-N-(3,5-dimethoxyphenyl)furan-2-...)
Show SMILES COc1cc(NC(=O)c2ccc(o2)-c2ccc(Cl)cc2)cc(OC)c1
Show InChI InChI=1S/C19H16ClNO4/c1-23-15-9-14(10-16(11-15)24-2)21-19(22)18-8-7-17(25-18)12-3-5-13(20)6-4-12/h3-11H,1-2H3,(H,21,22)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to CCKAR


J Med Chem 51: 407-16 (2008)


Article DOI: 10.1021/jm070637u
BindingDB Entry DOI: 10.7270/Q2KK9CN7
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50212239
PNG
(5-(4-chlorophenyl)-N-(3,5-dimethoxyphenyl)furan-2-...)
Show SMILES COc1cc(NC(=O)c2ccc(o2)-c2ccc(Cl)cc2)cc(OC)c1
Show InChI InChI=1S/C19H16ClNO4/c1-23-15-9-14(10-16(11-15)24-2)21-19(22)18-8-7-17(25-18)12-3-5-13(20)6-4-12/h3-11H,1-2H3,(H,21,22)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D1 receptor


J Med Chem 51: 407-16 (2008)


Article DOI: 10.1021/jm070637u
BindingDB Entry DOI: 10.7270/Q2KK9CN7
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50231767
PNG
(5-(4-cyanophenyl)-N-(3-methylphenyl)furan-2-carbox...)
Show SMILES Cc1cccc(NC(=O)c2ccc(o2)-c2ccc(cc2)C#N)c1
Show InChI InChI=1S/C19H14N2O2/c1-13-3-2-4-16(11-13)21-19(22)18-10-9-17(23-18)15-7-5-14(12-20)6-8-15/h2-11H,1H3,(H,21,22)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.5 channel at 1 uM


J Med Chem 51: 407-16 (2008)


Article DOI: 10.1021/jm070637u
BindingDB Entry DOI: 10.7270/Q2KK9CN7
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50231782
PNG
(5-(4-chlorophenyl)-N-(3-methylphenyl)furan-2-carbo...)
Show SMILES Cc1cccc(c1)N=C(N)c1ccc(o1)-c1ccc(Cl)cc1 |w:7.7|
Show InChI InChI=1S/C18H15ClN2O/c1-12-3-2-4-15(11-12)21-18(20)17-10-9-16(22-17)13-5-7-14(19)8-6-13/h2-11H,1H3,(H2,20,21)
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n/an/a 2.10E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of hERG potassium channel expressed in CHO cells by isotope efflux assay


J Med Chem 51: 407-16 (2008)


Article DOI: 10.1021/jm070637u
BindingDB Entry DOI: 10.7270/Q2KK9CN7
More data for this
Ligand-Target Pair
Sodium channel protein type X alpha subunit


(Mus musculus)
BDBM50371243
PNG
(CHEMBL251066)
Show SMILES Cc1cc(NC(=O)c2ccc(o2)-c2ccc(Cl)cc2)ccn1
Show InChI InChI=1S/C17H13ClN2O2/c1-11-10-14(8-9-19-11)20-17(21)16-7-6-15(22-16)12-2-4-13(18)5-3-12/h2-10H,1H3,(H,19,20,21)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant Nav 1.8 channel expressed in HEK293 cells by isotopic efflux assay


J Med Chem 51: 407-16 (2008)


Article DOI: 10.1021/jm070637u
BindingDB Entry DOI: 10.7270/Q2KK9CN7
More data for this
Ligand-Target Pair
Sodium channel protein type X alpha subunit


(Mus musculus)
BDBM50371249
PNG
(CHEMBL250698)
Show SMILES Clc1ccc(cc1)-c1ccc(o1)C(=O)Nc1cccc(c1)C1=NCCO1 |t:24|
Show InChI InChI=1S/C20H15ClN2O3/c21-15-6-4-13(5-7-15)17-8-9-18(26-17)19(24)23-16-3-1-2-14(12-16)20-22-10-11-25-20/h1-9,12H,10-11H2,(H,23,24)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant Nav 1.8 channel expressed in HEK293 cells by isotopic efflux assay


J Med Chem 51: 407-16 (2008)


Article DOI: 10.1021/jm070637u
BindingDB Entry DOI: 10.7270/Q2KK9CN7
More data for this
Ligand-Target Pair
Sodium channel protein type X alpha subunit


(Mus musculus)
BDBM50231772
PNG
(5-(4-chlorophenyl)-N-[(1-methyl-1,2,3,4-tetrahydro...)
Show SMILES CN1CCCc2cc(NC(=O)c3ccc(o3)-c3ccc(Cl)cc3)ccc12
Show InChI InChI=1S/C21H19ClN2O2/c1-24-12-2-3-15-13-17(8-9-18(15)24)23-21(25)20-11-10-19(26-20)14-4-6-16(22)7-5-14/h4-11,13H,2-3,12H2,1H3,(H,23,25)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant Nav 1.8 channel expressed in HEK293 cells by isotopic efflux assay


J Med Chem 51: 407-16 (2008)


Article DOI: 10.1021/jm070637u
BindingDB Entry DOI: 10.7270/Q2KK9CN7
More data for this
Ligand-Target Pair
Sodium channel protein type X alpha subunit


(Mus musculus)
BDBM50371240
PNG
(CHEMBL400355)
Show SMILES Clc1ccc(cc1)-c1ccc(o1)C(=O)Nc1ccc2cc[nH]c2c1
Show InChI InChI=1S/C19H13ClN2O2/c20-14-4-1-13(2-5-14)17-7-8-18(24-17)19(23)22-15-6-3-12-9-10-21-16(12)11-15/h1-11,21H,(H,22,23)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant Nav 1.8 channel expressed in HEK293 cells by isotopic efflux assay


J Med Chem 51: 407-16 (2008)


Article DOI: 10.1021/jm070637u
BindingDB Entry DOI: 10.7270/Q2KK9CN7
More data for this
Ligand-Target Pair
Sodium channel protein type X alpha subunit


(Mus musculus)
BDBM50371242
PNG
(CHEMBL400958)
Show SMILES CN(C(=O)c1ccc(o1)-c1ccc(Cl)cc1)c1cccc(C)c1
Show InChI InChI=1S/C19H16ClNO2/c1-13-4-3-5-16(12-13)21(2)19(22)18-11-10-17(23-18)14-6-8-15(20)9-7-14/h3-12H,1-2H3
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant Nav 1.8 channel expressed in HEK293 cells by isotopic efflux assay


J Med Chem 51: 407-16 (2008)


Article DOI: 10.1021/jm070637u
BindingDB Entry DOI: 10.7270/Q2KK9CN7
More data for this
Ligand-Target Pair
Sodium channel protein type X alpha subunit


(Mus musculus)
BDBM50371250
PNG
(CHEMBL250876)
Show SMILES CN1CCc2ccc(NC(=O)c3ccc(o3)-c3ccc(Cl)cc3)cc12
Show InChI InChI=1S/C20H17ClN2O2/c1-23-11-10-13-4-7-16(12-17(13)23)22-20(24)19-9-8-18(25-19)14-2-5-15(21)6-3-14/h2-9,12H,10-11H2,1H3,(H,22,24)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant Nav 1.8 channel expressed in HEK293 cells by isotopic efflux assay


J Med Chem 51: 407-16 (2008)


Article DOI: 10.1021/jm070637u
BindingDB Entry DOI: 10.7270/Q2KK9CN7
More data for this
Ligand-Target Pair
Sodium channel protein type X alpha subunit


(Mus musculus)
BDBM50371239
PNG
(CHEMBL400328)
Show SMILES Clc1ccc(cc1)-c1ccc(o1)C(=O)Nc1cccc(c1)N1CCOCC1
Show InChI InChI=1S/C21H19ClN2O3/c22-16-6-4-15(5-7-16)19-8-9-20(27-19)21(25)23-17-2-1-3-18(14-17)24-10-12-26-13-11-24/h1-9,14H,10-13H2,(H,23,25)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant Nav 1.8 channel expressed in HEK293 cells by isotopic efflux assay


J Med Chem 51: 407-16 (2008)


Article DOI: 10.1021/jm070637u
BindingDB Entry DOI: 10.7270/Q2KK9CN7
More data for this
Ligand-Target Pair
Sodium channel protein type X alpha subunit


(Mus musculus)
BDBM50231784
PNG
(CHEMBL251067 | [5-(4-Chlorophenyl)furan-2-yl-(4-di...)
Show SMILES CN(C)C1CCN(CC1)C(=O)c1ccc(o1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C18H21ClN2O2/c1-20(2)15-9-11-21(12-10-15)18(22)17-8-7-16(23-17)13-3-5-14(19)6-4-13/h3-8,15H,9-12H2,1-2H3
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant Nav 1.8 channel expressed in HEK293 cells by isotopic efflux assay


J Med Chem 51: 407-16 (2008)


Article DOI: 10.1021/jm070637u
BindingDB Entry DOI: 10.7270/Q2KK9CN7
More data for this
Ligand-Target Pair
Sodium channel protein type X alpha subunit


(Mus musculus)
BDBM50371248
PNG
(CHEMBL254385)
Show SMILES Cc1cccc(NC(=O)c2cc(co2)-c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C18H14ClNO2/c1-12-3-2-4-16(9-12)20-18(21)17-10-14(11-22-17)13-5-7-15(19)8-6-13/h2-11H,1H3,(H,20,21)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant Nav 1.8 channel expressed in HEK293 cells by isotopic efflux assay


J Med Chem 51: 407-16 (2008)


Article DOI: 10.1021/jm070637u
BindingDB Entry DOI: 10.7270/Q2KK9CN7
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50231772
PNG
(5-(4-chlorophenyl)-N-[(1-methyl-1,2,3,4-tetrahydro...)
Show SMILES CN1CCCc2cc(NC(=O)c3ccc(o3)-c3ccc(Cl)cc3)ccc12
Show InChI InChI=1S/C21H19ClN2O2/c1-24-12-2-3-15-13-17(8-9-18(15)24)23-21(25)20-11-10-19(26-20)14-4-6-16(22)7-5-14/h4-11,13H,2-3,12H2,1H3,(H,23,25)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of hERG potassium channel expressed in CHO cells by isotope efflux assay


J Med Chem 51: 407-16 (2008)


Article DOI: 10.1021/jm070637u
BindingDB Entry DOI: 10.7270/Q2KK9CN7
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50231767
PNG
(5-(4-cyanophenyl)-N-(3-methylphenyl)furan-2-carbox...)
Show SMILES Cc1cccc(NC(=O)c2ccc(o2)-c2ccc(cc2)C#N)c1
Show InChI InChI=1S/C19H14N2O2/c1-13-3-2-4-16(11-13)21-19(22)18-10-9-17(23-18)15-7-5-14(12-20)6-8-15/h2-11H,1H3,(H,21,22)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of hERG potassium channel expressed in CHO cells by isotope efflux assay


J Med Chem 51: 407-16 (2008)


Article DOI: 10.1021/jm070637u
BindingDB Entry DOI: 10.7270/Q2KK9CN7
More data for this
Ligand-Target Pair
Sodium channel protein type X alpha subunit


(Mus musculus)
BDBM50371244
PNG
(CHEMBL254383)
Show SMILES Cc1cccc(NC(=O)c2ccc(o2)-c2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C19H14F3NO2/c1-12-4-2-7-15(10-12)23-18(24)17-9-8-16(25-17)13-5-3-6-14(11-13)19(20,21)22/h2-11H,1H3,(H,23,24)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant Nav 1.8 channel expressed in HEK293 cells by isotopic efflux assay


J Med Chem 51: 407-16 (2008)


Article DOI: 10.1021/jm070637u
BindingDB Entry DOI: 10.7270/Q2KK9CN7
More data for this
Ligand-Target Pair
Sodium channel protein type X alpha subunit


(Mus musculus)
BDBM50371238
PNG
(CHEMBL269764)
Show SMILES Clc1ccc(cc1)-c1ccc(o1)C(=O)Nc1ccc2ncccc2c1
Show InChI InChI=1S/C20H13ClN2O2/c21-15-5-3-13(4-6-15)18-9-10-19(25-18)20(24)23-16-7-8-17-14(12-16)2-1-11-22-17/h1-12H,(H,23,24)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant Nav 1.8 channel expressed in HEK293 cells by isotopic efflux assay


J Med Chem 51: 407-16 (2008)


Article DOI: 10.1021/jm070637u
BindingDB Entry DOI: 10.7270/Q2KK9CN7
More data for this
Ligand-Target Pair
Sodium channel protein type X alpha subunit


(Mus musculus)
BDBM50371247
PNG
(CHEMBL254384)
Show SMILES Cc1cccc(NC(=O)c2coc(c2)-c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C18H14ClNO2/c1-12-3-2-4-16(9-12)20-18(21)14-10-17(22-11-14)13-5-7-15(19)8-6-13/h2-11H,1H3,(H,20,21)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant Nav 1.8 channel expressed in HEK293 cells by isotopic efflux assay


J Med Chem 51: 407-16 (2008)


Article DOI: 10.1021/jm070637u
BindingDB Entry DOI: 10.7270/Q2KK9CN7
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50231779
PNG
(5-(4-chlorophenyl)-N-(3-methylphenyl)furan-2-carbo...)
Show SMILES Cc1cccc(NC(=O)c2ccc(o2)-c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C18H14ClNO2/c1-12-3-2-4-15(11-12)20-18(21)17-10-9-16(22-17)13-5-7-14(19)8-6-13/h2-11H,1H3,(H,20,21)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of hERG potassium channel expressed in CHO cells by isotope efflux assay


J Med Chem 51: 407-16 (2008)


Article DOI: 10.1021/jm070637u
BindingDB Entry DOI: 10.7270/Q2KK9CN7
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50212239
PNG
(5-(4-chlorophenyl)-N-(3,5-dimethoxyphenyl)furan-2-...)
Show SMILES COc1cc(NC(=O)c2ccc(o2)-c2ccc(Cl)cc2)cc(OC)c1
Show InChI InChI=1S/C19H16ClNO4/c1-23-15-9-14(10-16(11-15)24-2)21-19(22)18-8-7-17(25-18)12-3-5-13(20)6-4-12/h3-11H,1-2H3,(H,21,22)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of hERG potassium channel expressed in CHO cells by isotope efflux assay


J Med Chem 51: 407-16 (2008)


Article DOI: 10.1021/jm070637u
BindingDB Entry DOI: 10.7270/Q2KK9CN7
More data for this
Ligand-Target Pair
Sodium channel protein type X alpha subunit


(Mus musculus)
BDBM50371251
PNG
(CHEMBL254382)
Show SMILES Cc1cccc(NC(=O)c2ccc(o2)-c2cccc(c2)C#N)c1
Show InChI InChI=1S/C19H14N2O2/c1-13-4-2-7-16(10-13)21-19(22)18-9-8-17(23-18)15-6-3-5-14(11-15)12-20/h2-11H,1H3,(H,21,22)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant Nav 1.8 channel expressed in HEK293 cells by isotopic efflux assay


J Med Chem 51: 407-16 (2008)


Article DOI: 10.1021/jm070637u
BindingDB Entry DOI: 10.7270/Q2KK9CN7
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50231774
PNG
(5-(4-chlorophenyl)-N-cyano-N'-(3-methylphenyl)fura...)
Show SMILES Cc1cccc(c1)N=C(NC#N)c1ccc(o1)-c1ccc(Cl)cc1 |w:7.7|
Show InChI InChI=1S/C19H14ClN3O/c1-13-3-2-4-16(11-13)23-19(22-12-21)18-10-9-17(24-18)14-5-7-15(20)8-6-14/h2-11H,1H3,(H,22,23)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of hERG potassium channel expressed in CHO cells by isotope efflux assay


J Med Chem 51: 407-16 (2008)


Article DOI: 10.1021/jm070637u
BindingDB Entry DOI: 10.7270/Q2KK9CN7
More data for this
Ligand-Target Pair
Sodium channel protein type X alpha subunit


(Mus musculus)
BDBM50371246
PNG
(CHEMBL250444)
Show SMILES Cc1cccc(NC(=O)c2ccc(o2)-c2ccc(cc2)S(C)(=O)=O)c1
Show InChI InChI=1S/C19H17NO4S/c1-13-4-3-5-15(12-13)20-19(21)18-11-10-17(24-18)14-6-8-16(9-7-14)25(2,22)23/h3-12H,1-2H3,(H,20,21)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant Nav 1.8 channel expressed in HEK293 cells by isotopic efflux assay


J Med Chem 51: 407-16 (2008)


Article DOI: 10.1021/jm070637u
BindingDB Entry DOI: 10.7270/Q2KK9CN7
More data for this
Ligand-Target Pair
Sodium channel protein type X alpha subunit


(Mus musculus)
BDBM50231768
PNG
(CHEMBL400960 | [5-(4-Chlorophenyl)furan-2-yl]-morp...)
Show SMILES Clc1ccc(cc1)-c1ccc(o1)C(=O)N1CCOCC1
Show InChI InChI=1S/C15H14ClNO3/c16-12-3-1-11(2-4-12)13-5-6-14(20-13)15(18)17-7-9-19-10-8-17/h1-6H,7-10H2
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant Nav 1.8 channel expressed in HEK293 cells by isotopic efflux assay


J Med Chem 51: 407-16 (2008)


Article DOI: 10.1021/jm070637u
BindingDB Entry DOI: 10.7270/Q2KK9CN7
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50231770
PNG
(5-(4-chlorophenyl)-N-[(5-methyl)pyridin-3-yl]furan...)
Show SMILES Cc1ccnc(NC(=O)c2ccc(o2)-c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C17H13ClN2O2/c1-11-8-9-19-16(10-11)20-17(21)15-7-6-14(22-15)12-2-4-13(18)5-3-12/h2-10H,1H3,(H,19,20,21)
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Curated by ChEMBL


Assay Description
Inhibition of hERG potassium channel expressed in CHO cells by isotope efflux assay


J Med Chem 51: 407-16 (2008)


Article DOI: 10.1021/jm070637u
BindingDB Entry DOI: 10.7270/Q2KK9CN7
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50231777
PNG
(5-[(4-trifluoromethoxy)phenyl]-N-(3-methylphenyl)f...)
Show SMILES Cc1cccc(NC(=O)c2ccc(o2)-c2ccc(OC(F)(F)F)cc2)c1
Show InChI InChI=1S/C19H14F3NO3/c1-12-3-2-4-14(11-12)23-18(24)17-10-9-16(25-17)13-5-7-15(8-6-13)26-19(20,21)22/h2-11H,1H3,(H,23,24)
PDB
MMDB

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PC cid
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n/an/a>3.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of hERG potassium channel expressed in CHO cells by isotope efflux assay


J Med Chem 51: 407-16 (2008)


Article DOI: 10.1021/jm070637u
BindingDB Entry DOI: 10.7270/Q2KK9CN7
More data for this
Ligand-Target Pair