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6 similar compounds to monomer 71512

Compile data set for download or QSAR
Wt: 432.4
BDBM71514
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Wt: 432.4
BDBM71529
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Wt: 486.8
BDBM71535
Wt: 485.3
BDBM71513
Wt: 566.9
BDBM71519

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 71514,71529,71535,71513,71519   
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
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM71514
PNG
(6-keto-2-[[2-keto-2-(tetrahydrofurfurylamino)ethyl...)
Show SMILES COc1cccc(NC(=O)c2cnc(SCC(=O)NCC3CCCO3)n(C)c2=O)c1
Show InChI InChI=1S/C20H24N4O5S/c1-24-19(27)16(18(26)23-13-5-3-6-14(9-13)28-2)11-22-20(24)30-12-17(25)21-10-15-7-4-8-29-15/h3,5-6,9,11,15H,4,7-8,10,12H2,1-2H3,(H,21,25)(H,23,26)
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n/an/an/an/a 495n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRISMC) Center Affiliation: The Scripps Research Institute, TS...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2QC020R
More data for this
Ligand-Target Pair
FXN frataxin


(Aspergillus niger)
BDBM71529
PNG
(6-keto-2-[[2-keto-2-(tetrahydrofurfurylamino)ethyl...)
Show SMILES COc1ccccc1NC(=O)c1cnc(SCC(=O)NCC2CCCO2)n(C)c1=O
Show InChI InChI=1S/C20H24N4O5S/c1-24-19(27)14(18(26)23-15-7-3-4-8-16(15)28-2)11-22-20(24)30-12-17(25)21-10-13-6-5-9-29-13/h3-4,7-8,11,13H,5-6,9-10,12H2,1-2H3,(H,21,25)(H,23,26)
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n/an/an/an/a>5.96E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRISMC) Center Affiliation: The Scripps Research Institute, TS...


PubChem Bioassay (2011)


Article DOI: 10.1021/acs.biochem.5b00431
BindingDB Entry DOI: 10.7270/Q2PK0DN5
More data for this
Ligand-Target Pair
Sodium Channel Complex


(Homo sapiens (Human))
BDBM71513
PNG
(US9546164, 533 | US9694002, 532 | US9694002, 533 |...)
Show SMILES NC(=O)c1cc(C2CC2)c(CN2CCC(CC2)S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1F
Show InChI InChI=1S/C22H23Cl2FN2O3S/c23-15-8-16(24)10-18(9-15)31(29,30)17-3-5-27(6-4-17)12-14-7-21(25)20(22(26)28)11-19(14)13-1-2-13/h7-11,13,17H,1-6,12H2,(H2,26,28)
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US Patent
n/an/a 221n/an/an/an/a7.425



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent


Assay Description
Binding of this radioligand was preformed in 5 mL borosilicate glass test tubes at room temperature. Binding was initiated by adding membranes to inc...


US Patent US9694002 (2017)


BindingDB Entry DOI: 10.7270/Q24B2ZFG
More data for this
Ligand-Target Pair
Sodium Channel Complex


(Homo sapiens (Human))
BDBM71513
PNG
(US9546164, 533 | US9694002, 532 | US9694002, 533 |...)
Show SMILES NC(=O)c1cc(C2CC2)c(CN2CCC(CC2)S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1F
Show InChI InChI=1S/C22H23Cl2FN2O3S/c23-15-8-16(24)10-18(9-15)31(29,30)17-3-5-27(6-4-17)12-14-7-21(25)20(22(26)28)11-19(14)13-1-2-13/h7-11,13,17H,1-6,12H2,(H2,26,28)
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US Patent
n/an/a 127n/an/an/an/a7.425



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent


Assay Description
Binding of this radioligand was preformed in 5 mL borosilicate glass test tubes at room temperature. Binding was initiated by adding membranes to inc...


US Patent US9694002 (2017)


BindingDB Entry DOI: 10.7270/Q24B2ZFG
More data for this
Ligand-Target Pair
Sodium Channel Complex


(Homo sapiens (Human))
BDBM71513
PNG
(US9546164, 533 | US9694002, 532 | US9694002, 533 |...)
Show SMILES NC(=O)c1cc(C2CC2)c(CN2CCC(CC2)S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1F
Show InChI InChI=1S/C22H23Cl2FN2O3S/c23-15-8-16(24)10-18(9-15)31(29,30)17-3-5-27(6-4-17)12-14-7-21(25)20(22(26)28)11-19(14)13-1-2-13/h7-11,13,17H,1-6,12H2,(H2,26,28)
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US Patent
n/an/a 879n/an/an/an/a7.425



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent


Assay Description
Binding of this radioligand was preformed in 5 mL borosilicate glass test tubes at room temperature. Binding was initiated by adding membranes to inc...


US Patent US9694002 (2017)


BindingDB Entry DOI: 10.7270/Q24B2ZFG
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM71535
PNG
(US9546164, 549 | US9694002, 548 | US9694002, 549)
Show SMILES NC(=O)c1cc(C2CC2)c(CN2CCC(CC2)Oc2cc(Cl)cc(OC(F)(F)F)c2)cc1F
Show InChI InChI=1S/C23H23ClF4N2O3/c24-15-8-17(10-18(9-15)33-23(26,27)28)32-16-3-5-30(6-4-16)12-14-7-21(25)20(22(29)31)11-19(14)13-1-2-13/h7-11,13,16H,1-6,12H2,(H2,29,31)
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US Patent
n/an/a 4.40n/an/an/an/a7.425



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent


Assay Description
Radioligand Binding Studies: Saturation experiments. A representative compound of formula (I) having a methyl group was tritiated. Three tritiums wer...


US Patent US9546164 (2017)


Article DOI: 10.1016/j.bmcl.2005.05.131
BindingDB Entry DOI: 10.7270/Q2JD4ZS4
More data for this
Ligand-Target Pair
Sodium Channel Complex


(Homo sapiens (Human))
BDBM71535
PNG
(US9546164, 549 | US9694002, 548 | US9694002, 549)
Show SMILES NC(=O)c1cc(C2CC2)c(CN2CCC(CC2)Oc2cc(Cl)cc(OC(F)(F)F)c2)cc1F
Show InChI InChI=1S/C23H23ClF4N2O3/c24-15-8-17(10-18(9-15)33-23(26,27)28)32-16-3-5-30(6-4-16)12-14-7-21(25)20(22(29)31)11-19(14)13-1-2-13/h7-11,13,16H,1-6,12H2,(H2,29,31)
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US Patent
n/an/a 3.70n/an/an/an/a7.425



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent


Assay Description
Binding of this radioligand was preformed in 5 mL borosilicate glass test tubes at room temperature. Binding was initiated by adding membranes to inc...


US Patent US9694002 (2017)


BindingDB Entry DOI: 10.7270/Q24B2ZFG
More data for this
Ligand-Target Pair
Sodium Channel Complex


(Homo sapiens (Human))
BDBM71535
PNG
(US9546164, 549 | US9694002, 548 | US9694002, 549)
Show SMILES NC(=O)c1cc(C2CC2)c(CN2CCC(CC2)Oc2cc(Cl)cc(OC(F)(F)F)c2)cc1F
Show InChI InChI=1S/C23H23ClF4N2O3/c24-15-8-17(10-18(9-15)33-23(26,27)28)32-16-3-5-30(6-4-16)12-14-7-21(25)20(22(29)31)11-19(14)13-1-2-13/h7-11,13,16H,1-6,12H2,(H2,29,31)
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US Patent
n/an/a 4.40n/an/an/an/a7.425



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent


Assay Description
Binding of this radioligand was preformed in 5 mL borosilicate glass test tubes at room temperature. Binding was initiated by adding membranes to inc...


US Patent US9694002 (2017)


BindingDB Entry DOI: 10.7270/Q24B2ZFG
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM71513
PNG
(US9546164, 533 | US9694002, 532 | US9694002, 533 |...)
Show SMILES NC(=O)c1cc(C2CC2)c(CN2CCC(CC2)S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1F
Show InChI InChI=1S/C22H23Cl2FN2O3S/c23-15-8-16(24)10-18(9-15)31(29,30)17-3-5-27(6-4-17)12-14-7-21(25)20(22(26)28)11-19(14)13-1-2-13/h7-11,13,17H,1-6,12H2,(H2,26,28)
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US Patent
n/an/a 220n/an/an/an/a7.425



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent


Assay Description
Radioligand Binding Studies: Saturation experiments. A representative compound of formula (I) having a methyl group was tritiated. Three tritiums wer...


US Patent US9546164 (2017)


Article DOI: 10.1016/j.bmcl.2005.05.131
BindingDB Entry DOI: 10.7270/Q2JD4ZS4
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM71513
PNG
(US9546164, 533 | US9694002, 532 | US9694002, 533 |...)
Show SMILES NC(=O)c1cc(C2CC2)c(CN2CCC(CC2)S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1F
Show InChI InChI=1S/C22H23Cl2FN2O3S/c23-15-8-16(24)10-18(9-15)31(29,30)17-3-5-27(6-4-17)12-14-7-21(25)20(22(26)28)11-19(14)13-1-2-13/h7-11,13,17H,1-6,12H2,(H2,26,28)
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US Patent
n/an/a 127n/an/an/an/a7.425



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent


Assay Description
Radioligand Binding Studies: Saturation experiments. A representative compound of formula (I) having a methyl group was tritiated. Three tritiums wer...


US Patent US9546164 (2017)


Article DOI: 10.1016/j.bmcl.2005.05.131
BindingDB Entry DOI: 10.7270/Q2JD4ZS4
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM71535
PNG
(US9546164, 549 | US9694002, 548 | US9694002, 549)
Show SMILES NC(=O)c1cc(C2CC2)c(CN2CCC(CC2)Oc2cc(Cl)cc(OC(F)(F)F)c2)cc1F
Show InChI InChI=1S/C23H23ClF4N2O3/c24-15-8-17(10-18(9-15)33-23(26,27)28)32-16-3-5-30(6-4-16)12-14-7-21(25)20(22(29)31)11-19(14)13-1-2-13/h7-11,13,16H,1-6,12H2,(H2,29,31)
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US Patent
n/an/a 3.70n/an/an/an/a7.425



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent


Assay Description
Radioligand Binding Studies: Saturation experiments. A representative compound of formula (I) having a methyl group was tritiated. Three tritiums wer...


US Patent US9546164 (2017)


Article DOI: 10.1016/j.bmcl.2005.05.131
BindingDB Entry DOI: 10.7270/Q2JD4ZS4
More data for this
Ligand-Target Pair
Sodium Channel Complex


(Homo sapiens (Human))
BDBM71519
PNG
(US9694002, 536)
Show SMILES CS(=O)(=O)NC(=O)c1cc(C2CC2)c(CN2CCC(CC2)Oc2cc(cc(Cl)c2F)C(F)(F)F)cc1F
Show InChI InChI=1S/C24H24ClF5N2O4S/c1-37(34,35)31-23(33)18-11-17(13-2-3-13)14(8-20(18)26)12-32-6-4-16(5-7-32)36-21-10-15(24(28,29)30)9-19(25)22(21)27/h8-11,13,16H,2-7,12H2,1H3,(H,31,33)
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US Patent
n/an/a 5n/an/an/an/a7.425



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent


Assay Description
Binding of this radioligand was preformed in 5 mL borosilicate glass test tubes at room temperature. Binding was initiated by adding membranes to inc...


US Patent US9694002 (2017)


BindingDB Entry DOI: 10.7270/Q24B2ZFG
More data for this
Ligand-Target Pair