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Compile Data Set for Download or QSAR

Found 134 hits with Last Name = 'hernandez' and Initial = 'g'   
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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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 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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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.8 channel expressed in human HEK293 cells by patch clamp method


Proc Natl Acad Sci USA 104: 8520-5 (2007)


Article DOI: 10.1073/pnas.0611364104
BindingDB Entry DOI: 10.7270/Q2J10411
More data for this
Ligand-Target Pair
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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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.8 channel expressed in HEK293 cells at -40 mV by patch clamp method


Proc Natl Acad Sci USA 104: 8520-5 (2007)


Article DOI: 10.1073/pnas.0611364104
BindingDB Entry DOI: 10.7270/Q2J10411
More data for this
Ligand-Target Pair
Sodium channel protein type 10 subunit alpha


(Homo sapiens (Human))
BDBM50270707
PNG
(CHEMBL486495 | [5-(4-tert-Butylphenyl)furan-2-yl]-...)
Show SMILES CC(C)(C)c1ccc(cc1)-c1ccc(o1)C(=O)N1CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C25H34N2O2/c1-25(2,3)20-11-9-19(10-12-20)22-13-14-23(29-22)24(28)27-17-15-26(16-18-27)21-7-5-4-6-8-21/h9-14,21H,4-8,15-18H2,1-3H3
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Nav1.8 channel expressed in HEK293 cells by whole cell voltage clamp technique


Bioorg Med Chem 16: 6379-86 (2008)


Article DOI: 10.1016/j.bmc.2008.05.003
BindingDB Entry DOI: 10.7270/Q2VH5NNT
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
Voltage-gated sodium channel subunit alpha Nav1.8


(Rattus norvegicus (Rat))
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 recombinant rat Nav1.8 sodium channel assessed as blockade of TTXR current by patch clamp method


Proc Natl Acad Sci USA 104: 8520-5 (2007)


Article DOI: 10.1073/pnas.0611364104
BindingDB Entry DOI: 10.7270/Q2J10411
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 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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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.8 channel expressed in HEK293 cells at -100 mV by patch clamp method


Proc Natl Acad Sci USA 104: 8520-5 (2007)


Article DOI: 10.1073/pnas.0611364104
BindingDB Entry DOI: 10.7270/Q2J10411
More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.8


(Rattus norvegicus (Rat))
BDBM50270707
PNG
(CHEMBL486495 | [5-(4-tert-Butylphenyl)furan-2-yl]-...)
Show SMILES CC(C)(C)c1ccc(cc1)-c1ccc(o1)C(=O)N1CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C25H34N2O2/c1-25(2,3)20-11-9-19(10-12-20)22-13-14-23(29-22)24(28)27-17-15-26(16-18-27)21-7-5-4-6-8-21/h9-14,21H,4-8,15-18H2,1-3H3
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Blockade of Nav1.8 channel in rat dorsal root ganglion neurons assessed as inhibition of TTX-R current by whole cell patch clamp technique


Bioorg Med Chem 16: 6379-86 (2008)


Article DOI: 10.1016/j.bmc.2008.05.003
BindingDB Entry DOI: 10.7270/Q2VH5NNT
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50270707
PNG
(CHEMBL486495 | [5-(4-tert-Butylphenyl)furan-2-yl]-...)
Show SMILES CC(C)(C)c1ccc(cc1)-c1ccc(o1)C(=O)N1CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C25H34N2O2/c1-25(2,3)20-11-9-19(10-12-20)22-13-14-23(29-22)24(28)27-17-15-26(16-18-27)21-7-5-4-6-8-21/h9-14,21H,4-8,15-18H2,1-3H3
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Nav1.5 channel expressed in HEK293 cells by whole cell voltage clamp technique


Bioorg Med Chem 16: 6379-86 (2008)


Article DOI: 10.1016/j.bmc.2008.05.003
BindingDB Entry DOI: 10.7270/Q2VH5NNT
More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.2 (Nav1.2)


(Homo sapiens (Human))
BDBM50270707
PNG
(CHEMBL486495 | [5-(4-tert-Butylphenyl)furan-2-yl]-...)
Show SMILES CC(C)(C)c1ccc(cc1)-c1ccc(o1)C(=O)N1CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C25H34N2O2/c1-25(2,3)20-11-9-19(10-12-20)22-13-14-23(29-22)24(28)27-17-15-26(16-18-27)21-7-5-4-6-8-21/h9-14,21H,4-8,15-18H2,1-3H3
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Nav1.2 channel expressed in HEK293 cells by whole cell voltage clamp technique


Bioorg Med Chem 16: 6379-86 (2008)


Article DOI: 10.1016/j.bmc.2008.05.003
BindingDB Entry DOI: 10.7270/Q2VH5NNT
More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.8


(Rattus norvegicus (Rat))
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 Nav1.8 channel in rat dorsal root ganglion neurons assessed as blockade of TTX-R current by patch clamp method


Proc Natl Acad Sci USA 104: 8520-5 (2007)


Article DOI: 10.1073/pnas.0611364104
BindingDB Entry DOI: 10.7270/Q2J10411
More data for this
Ligand-Target Pair
Sodium channel protein type 10 subunit alpha


(Homo sapiens (Human))
BDBM50270649
PNG
(1-[5-(4-Chlorophenyl)-2-furoyl]piperazine | CHEMBL...)
Show SMILES Clc1ccc(cc1)-c1ccc(o1)C(=O)N1CCNCC1
Show InChI InChI=1S/C15H15ClN2O2/c16-12-3-1-11(2-4-12)13-5-6-14(20-13)15(19)18-9-7-17-8-10-18/h1-6,17H,7-10H2
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Nav1.8 channel expressed in HEK293 cells by whole cell voltage clamp technique


Bioorg Med Chem 16: 6379-86 (2008)


Article DOI: 10.1016/j.bmc.2008.05.003
BindingDB Entry DOI: 10.7270/Q2VH5NNT
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 10 subunit alpha


(Homo sapiens (Human))
BDBM50270679
PNG
(CHEMBL482676 | [5-(4-Chlorophenyl)furan-2-yl]-(4-c...)
Show SMILES Clc1ccc(cc1)-c1ccc(o1)C(=O)N1CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C21H25ClN2O2/c22-17-8-6-16(7-9-17)19-10-11-20(26-19)21(25)24-14-12-23(13-15-24)18-4-2-1-3-5-18/h6-11,18H,1-5,12-15H2
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Nav1.8 channel expressed in HEK293 cells by whole cell voltage clamp technique


Bioorg Med Chem 16: 6379-86 (2008)


Article DOI: 10.1016/j.bmc.2008.05.003
BindingDB Entry DOI: 10.7270/Q2VH5NNT
More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.2 (Nav1.2)


(Homo sapiens (Human))
BDBM50270679
PNG
(CHEMBL482676 | [5-(4-Chlorophenyl)furan-2-yl]-(4-c...)
Show SMILES Clc1ccc(cc1)-c1ccc(o1)C(=O)N1CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C21H25ClN2O2/c22-17-8-6-16(7-9-17)19-10-11-20(26-19)21(25)24-14-12-23(13-15-24)18-4-2-1-3-5-18/h6-11,18H,1-5,12-15H2
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Nav1.2 channel expressed in HEK293 cells by whole cell voltage clamp technique


Bioorg Med Chem 16: 6379-86 (2008)


Article DOI: 10.1016/j.bmc.2008.05.003
BindingDB Entry DOI: 10.7270/Q2VH5NNT
More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.8


(Rattus norvegicus (Rat))
BDBM50270679
PNG
(CHEMBL482676 | [5-(4-Chlorophenyl)furan-2-yl]-(4-c...)
Show SMILES Clc1ccc(cc1)-c1ccc(o1)C(=O)N1CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C21H25ClN2O2/c22-17-8-6-16(7-9-17)19-10-11-20(26-19)21(25)24-14-12-23(13-15-24)18-4-2-1-3-5-18/h6-11,18H,1-5,12-15H2
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Blockade of Nav1.8 channel in rat dorsal root ganglion neurons assessed as inhibition of TTX-R current by whole cell patch clamp technique


Bioorg Med Chem 16: 6379-86 (2008)


Article DOI: 10.1016/j.bmc.2008.05.003
BindingDB Entry DOI: 10.7270/Q2VH5NNT
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
Voltage-gated sodium channel subunit alpha Nav1.8


(Rattus norvegicus (Rat))
BDBM50270649
PNG
(1-[5-(4-Chlorophenyl)-2-furoyl]piperazine | CHEMBL...)
Show SMILES Clc1ccc(cc1)-c1ccc(o1)C(=O)N1CCNCC1
Show InChI InChI=1S/C15H15ClN2O2/c16-12-3-1-11(2-4-12)13-5-6-14(20-13)15(19)18-9-7-17-8-10-18/h1-6,17H,7-10H2
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Blockade of Nav1.8 channel in rat dorsal root ganglion neurons assessed as inhibition of TTX-R current by whole cell patch clamp technique


Bioorg Med Chem 16: 6379-86 (2008)


Article DOI: 10.1016/j.bmc.2008.05.003
BindingDB Entry DOI: 10.7270/Q2VH5NNT
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)
BDBM50270682
PNG
(5-(4-Chlorophenyl)furan-2-carboxylic acid-(2-piper...)
Show SMILES Clc1ccc(cc1)-c1ccc(o1)C(=O)NCCN1CCCCC1
Show InChI InChI=1S/C18H21ClN2O2/c19-15-6-4-14(5-7-15)16-8-9-17(23-16)18(22)20-10-13-21-11-2-1-3-12-21/h4-9H,1-3,10-13H2,(H,20,22)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant Nav1.8 channel expressed in HEK293 cells by isotopic efflux assay


Bioorg Med Chem 16: 6379-86 (2008)


Article DOI: 10.1016/j.bmc.2008.05.003
BindingDB Entry DOI: 10.7270/Q2VH5NNT
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
Voltage-gated sodium channel subunit alpha Nav1.8


(Rattus norvegicus (Rat))
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 Nav1.8 channel in rat dorsal root ganglion neurons assessed as blockade of TTX-R current by patch clamp method


Proc Natl Acad Sci USA 104: 8520-5 (2007)


Article DOI: 10.1073/pnas.0611364104
BindingDB Entry DOI: 10.7270/Q2J10411
More data for this
Ligand-Target Pair
Sodium channel protein type X alpha subunit


(Mus musculus)
BDBM50270679
PNG
(CHEMBL482676 | [5-(4-Chlorophenyl)furan-2-yl]-(4-c...)
Show SMILES Clc1ccc(cc1)-c1ccc(o1)C(=O)N1CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C21H25ClN2O2/c22-17-8-6-16(7-9-17)19-10-11-20(26-19)21(25)24-14-12-23(13-15-24)18-4-2-1-3-5-18/h6-11,18H,1-5,12-15H2
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant Nav1.8 channel expressed in HEK293 cells by isotopic efflux assay


Bioorg Med Chem 16: 6379-86 (2008)


Article DOI: 10.1016/j.bmc.2008.05.003
BindingDB Entry DOI: 10.7270/Q2VH5NNT
More data for this
Ligand-Target Pair
Sodium channel protein type 10 subunit alpha


(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 human recombinant Nav1.8 channel expressed in HEK293 cells by whole cell voltage clamp technique


Bioorg Med Chem 16: 6379-86 (2008)


Article DOI: 10.1016/j.bmc.2008.05.003
BindingDB Entry DOI: 10.7270/Q2VH5NNT
More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.2 (Nav1.2)


(Homo sapiens (Human))
BDBM50270649
PNG
(1-[5-(4-Chlorophenyl)-2-furoyl]piperazine | CHEMBL...)
Show SMILES Clc1ccc(cc1)-c1ccc(o1)C(=O)N1CCNCC1
Show InChI InChI=1S/C15H15ClN2O2/c16-12-3-1-11(2-4-12)13-5-6-14(20-13)15(19)18-9-7-17-8-10-18/h1-6,17H,7-10H2
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Nav1.2 channel expressed in HEK293 cells by whole cell voltage clamp technique


Bioorg Med Chem 16: 6379-86 (2008)


Article DOI: 10.1016/j.bmc.2008.05.003
BindingDB Entry DOI: 10.7270/Q2VH5NNT
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)
BDBM50270706
PNG
(5-(4-Chlorophenyl)furan-2-carboxylic acid (3-piper...)
Show SMILES Clc1ccc(cc1)-c1ccc(o1)C(=O)NCCCN1CCCCC1
Show InChI InChI=1S/C19H23ClN2O2/c20-16-7-5-15(6-8-16)17-9-10-18(24-17)19(23)21-11-4-14-22-12-2-1-3-13-22/h5-10H,1-4,11-14H2,(H,21,23)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant Nav1.8 channel expressed in HEK293 cells by isotopic efflux assay


Bioorg Med Chem 16: 6379-86 (2008)


Article DOI: 10.1016/j.bmc.2008.05.003
BindingDB Entry DOI: 10.7270/Q2VH5NNT
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
Sodium channel protein type X alpha subunit


(Mus musculus)
BDBM50270683
PNG
(5-(4-Chlorophenyl)furan-2-carboxylic acid (1-methy...)
Show SMILES CN1CCC(CC1)NC(=O)c1ccc(o1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C17H19ClN2O2/c1-20-10-8-14(9-11-20)19-17(21)16-7-6-15(22-16)12-2-4-13(18)5-3-12/h2-7,14H,8-11H2,1H3,(H,19,21)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant Nav1.8 channel expressed in HEK293 cells by isotopic efflux assay


Bioorg Med Chem 16: 6379-86 (2008)


Article DOI: 10.1016/j.bmc.2008.05.003
BindingDB Entry DOI: 10.7270/Q2VH5NNT
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
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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Abbott Laboratories

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))
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
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
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
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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n/an/a>2.00E+3n/an/an/an/an/an/a



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
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 5 subunit alpha


(Homo sapiens (Human))
BDBM50270679
PNG
(CHEMBL482676 | [5-(4-Chlorophenyl)furan-2-yl]-(4-c...)
Show SMILES Clc1ccc(cc1)-c1ccc(o1)C(=O)N1CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C21H25ClN2O2/c22-17-8-6-16(7-9-17)19-10-11-20(26-19)21(25)24-14-12-23(13-15-24)18-4-2-1-3-5-18/h6-11,18H,1-5,12-15H2
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n/an/a 2.30E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Nav1.5 channel expressed in HEK293 cells by whole cell voltage clamp technique


Bioorg Med Chem 16: 6379-86 (2008)


Article DOI: 10.1016/j.bmc.2008.05.003
BindingDB Entry DOI: 10.7270/Q2VH5NNT
More data for this
Ligand-Target Pair
Sodium channel protein type X alpha subunit


(Mus musculus)
BDBM50270705
PNG
(5-(4-Chlorophenyl)furan-2-carboxylic acid (3-dimet...)
Show SMILES CN(C)CC(C)(C)CNC(=O)c1ccc(o1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C18H23ClN2O2/c1-18(2,12-21(3)4)11-20-17(22)16-10-9-15(23-16)13-5-7-14(19)8-6-13/h5-10H,11-12H2,1-4H3,(H,20,22)
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n/an/a 2.40E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant Nav1.8 channel expressed in HEK293 cells by isotopic efflux assay


Bioorg Med Chem 16: 6379-86 (2008)


Article DOI: 10.1016/j.bmc.2008.05.003
BindingDB Entry DOI: 10.7270/Q2VH5NNT
More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.3 (Nav1.3)


(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 2.45E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.3 channel expressed in HEK293 cells at -60 mV by patch clamp method


Proc Natl Acad Sci USA 104: 8520-5 (2007)


Article DOI: 10.1073/pnas.0611364104
BindingDB Entry DOI: 10.7270/Q2J10411
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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n/an/a 2.50E+3n/an/an/an/an/an/a



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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n/an/a 2.50E+3n/an/an/an/an/an/a



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)
BDBM50270649
PNG
(1-[5-(4-Chlorophenyl)-2-furoyl]piperazine | CHEMBL...)
Show SMILES Clc1ccc(cc1)-c1ccc(o1)C(=O)N1CCNCC1
Show InChI InChI=1S/C15H15ClN2O2/c16-12-3-1-11(2-4-12)13-5-6-14(20-13)15(19)18-9-7-17-8-10-18/h1-6,17H,7-10H2
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n/an/a 2.90E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant Nav1.8 channel expressed in HEK293 cells by isotopic efflux assay


Bioorg Med Chem 16: 6379-86 (2008)


Article DOI: 10.1016/j.bmc.2008.05.003
BindingDB Entry DOI: 10.7270/Q2VH5NNT
More data for this
Ligand-Target Pair
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