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Patent code US10399958

Compile Data Set for Download or QSAR
Found 21 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM412343
PNG
(US10399958, Compound 2h)
Show SMILES Cc1cnc(-c2ccc(c(F)c2)C(F)(F)F)n1Cc1ccccc1OCCCCC(C)(C)C(O)=O
Show InChI InChI=1S/C26H28F4N2O3/c1-17-15-31-23(18-10-11-20(21(27)14-18)26(28,29)30)32(17)16-19-8-4-5-9-22(19)35-13-7-6-12-25(2,3)24(33)34/h4-5,8-11,14-15H,6-7,12-13,16H2,1-3H3,(H,33,34)
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n/an/an/an/a 3.5n/an/an/an/a



Mitobridge, Inc.

US Patent


Assay Description
Medium including test compound was aspirated and washed with PBS. 50 μl PBS including 1 mM Mg++ and Ca++ were then added to each well. The lucif...


US Patent US10399958 (2019)


BindingDB Entry DOI: 10.7270/Q26Q20MJ
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM412353
PNG
((S)-3-methyl-6-(2-((5-methyl-2-(4-(trifluoromethyl...)
Show SMILES C[C@@H](CCCOc1ccccc1Cn1c(C)cnc1-c1ccc(cc1)C(F)(F)F)CC(O)=O
Show InChI InChI=1S/C25H27F3N2O3/c1-17(14-23(31)32)6-5-13-33-22-8-4-3-7-20(22)16-30-18(2)15-29-24(30)19-9-11-21(12-10-19)25(26,27)28/h3-4,7-12,15,17H,5-6,13-14,16H2,1-2H3,(H,31,32)/t17-/m0/s1
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n/an/an/an/a 18n/an/an/an/a



Mitobridge, Inc.

US Patent


Assay Description
Medium including test compound was aspirated and washed with PBS. 50 μl PBS including 1 mM Mg++ and Ca++ were then added to each well. The lucif...


US Patent US10399958 (2019)


BindingDB Entry DOI: 10.7270/Q26Q20MJ
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM412349
PNG
(US10399958, Compound 2n)
Show SMILES CC(CCCOc1ccccc1Cn1c(C)cnc1-c1ccc(nc1)C(F)(F)F)CC(O)=O
Show InChI InChI=1S/C24H26F3N3O3/c1-16(12-22(31)32)6-5-11-33-20-8-4-3-7-19(20)15-30-17(2)13-29-23(30)18-9-10-21(28-14-18)24(25,26)27/h3-4,7-10,13-14,16H,5-6,11-12,15H2,1-2H3,(H,31,32)
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n/an/an/an/a 4.40n/an/an/an/a



Mitobridge, Inc.

US Patent


Assay Description
Medium including test compound was aspirated and washed with PBS. 50 μl PBS including 1 mM Mg++ and Ca++ were then added to each well. The lucif...


US Patent US10399958 (2019)


BindingDB Entry DOI: 10.7270/Q26Q20MJ
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM412351
PNG
(US10399958, Compound 2p)
Show SMILES COc1ccc(cc1)-c1ncc(C)n1Cc1ccccc1OCCCC(C)CC(O)=O
Show InChI InChI=1S/C25H30N2O4/c1-18(15-24(28)29)7-6-14-31-23-9-5-4-8-21(23)17-27-19(2)16-26-25(27)20-10-12-22(30-3)13-11-20/h4-5,8-13,16,18H,6-7,14-15,17H2,1-3H3,(H,28,29)
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n/an/an/an/a 13.1n/an/an/an/a



Mitobridge, Inc.

US Patent


Assay Description
Medium including test compound was aspirated and washed with PBS. 50 μl PBS including 1 mM Mg++ and Ca++ were then added to each well. The lucif...


US Patent US10399958 (2019)


BindingDB Entry DOI: 10.7270/Q26Q20MJ
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM412342
PNG
(US10399958, Compound 2g)
Show SMILES CC(CCCOc1ccccc1Cn1c(C)cnc1-c1ccc(F)cc1)CC(O)=O
Show InChI InChI=1S/C24H27FN2O3/c1-17(14-23(28)29)6-5-13-30-22-8-4-3-7-20(22)16-27-18(2)15-26-24(27)19-9-11-21(25)12-10-19/h3-4,7-12,15,17H,5-6,13-14,16H2,1-2H3,(H,28,29)
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n/an/an/an/a 39n/an/an/an/a



Mitobridge, Inc.

US Patent


Assay Description
Medium including test compound was aspirated and washed with PBS. 50 μl PBS including 1 mM Mg++ and Ca++ were then added to each well. The lucif...


US Patent US10399958 (2019)


BindingDB Entry DOI: 10.7270/Q26Q20MJ
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM412346
PNG
(US10399958, Compound 2k)
Show SMILES CC(CCCOc1ccc(C)cc1Cn1c(C)cnc1-c1ccc(cc1)C(F)(F)F)CC(O)=O
Show InChI InChI=1S/C26H29F3N2O3/c1-17(14-24(32)33)5-4-12-34-23-11-6-18(2)13-21(23)16-31-19(3)15-30-25(31)20-7-9-22(10-8-20)26(27,28)29/h6-11,13,15,17H,4-5,12,14,16H2,1-3H3,(H,32,33)
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n/an/an/an/a 6.60n/an/an/an/a



Mitobridge, Inc.

US Patent


Assay Description
Medium including test compound was aspirated and washed with PBS. 50 μl PBS including 1 mM Mg++ and Ca++ were then added to each well. The lucif...


US Patent US10399958 (2019)


BindingDB Entry DOI: 10.7270/Q26Q20MJ
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM412352
PNG
(US10399958, Compound 2q)
Show SMILES Cc1cnc(-c2ccc(cc2)C(F)(F)F)n1Cc1ccccc1OCCCCC(C)(C)C(O)=O
Show InChI InChI=1S/C26H29F3N2O3/c1-18-16-30-23(19-10-12-21(13-11-19)26(27,28)29)31(18)17-20-8-4-5-9-22(20)34-15-7-6-14-25(2,3)24(32)33/h4-5,8-13,16H,6-7,14-15,17H2,1-3H3,(H,32,33)
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n/an/an/an/a 14.3n/an/an/an/a



Mitobridge, Inc.

US Patent


Assay Description
Medium including test compound was aspirated and washed with PBS. 50 μl PBS including 1 mM Mg++ and Ca++ were then added to each well. The lucif...


US Patent US10399958 (2019)


BindingDB Entry DOI: 10.7270/Q26Q20MJ
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM412338
PNG
(US10399958, Compound 2c)
Show SMILES CC(CCCOc1ccccc1Cn1c(C)cnc1-c1ccc(cc1)-c1ccco1)CC(O)=O
Show InChI InChI=1S/C28H30N2O4/c1-20(17-27(31)32)7-5-15-34-26-9-4-3-8-24(26)19-30-21(2)18-29-28(30)23-13-11-22(12-14-23)25-10-6-16-33-25/h3-4,6,8-14,16,18,20H,5,7,15,17,19H2,1-2H3,(H,31,32)
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n/an/an/an/a 3.70n/an/an/an/a



Mitobridge, Inc.

US Patent


Assay Description
Medium including test compound was aspirated and washed with PBS. 50 μl PBS including 1 mM Mg++ and Ca++ were then added to each well. The lucif...


US Patent US10399958 (2019)


BindingDB Entry DOI: 10.7270/Q26Q20MJ
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM412348
PNG
(US10399958, Compound 2m)
Show SMILES CC(CCCOc1ccc(C)cc1Cn1c(C)cnc1-c1ccc(OC(F)(F)F)cc1)CC(O)=O
Show InChI InChI=1S/C26H29F3N2O4/c1-17(14-24(32)33)5-4-12-34-23-11-6-18(2)13-21(23)16-31-19(3)15-30-25(31)20-7-9-22(10-8-20)35-26(27,28)29/h6-11,13,15,17H,4-5,12,14,16H2,1-3H3,(H,32,33)
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n/an/an/an/a 0.5n/an/an/an/a



Mitobridge, Inc.

US Patent


Assay Description
Medium including test compound was aspirated and washed with PBS. 50 μl PBS including 1 mM Mg++ and Ca++ were then added to each well. The lucif...


US Patent US10399958 (2019)


BindingDB Entry DOI: 10.7270/Q26Q20MJ
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM412340
PNG
(US10399958, Compound 2e)
Show SMILES C\C(CCC(O)=O)=C/COc1ccccc1Cn1c(C)cnc1-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C25H25F3N2O4/c1-17(7-12-23(31)32)13-14-33-22-6-4-3-5-20(22)16-30-18(2)15-29-24(30)19-8-10-21(11-9-19)34-25(26,27)28/h3-6,8-11,13,15H,7,12,14,16H2,1-2H3,(H,31,32)/b17-13+
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n/an/an/an/a 0.200n/an/an/an/a



Mitobridge, Inc.

US Patent


Assay Description
Medium including test compound was aspirated and washed with PBS. 50 μl PBS including 1 mM Mg++ and Ca++ were then added to each well. The lucif...


US Patent US10399958 (2019)


BindingDB Entry DOI: 10.7270/Q26Q20MJ
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM412341
PNG
(US10399958, Compound 2f)
Show SMILES CC(CCCOc1ccccc1Cn1c(C)cnc1-c1ccc(C)cc1)CC(O)=O
Show InChI InChI=1S/C25H30N2O3/c1-18-10-12-21(13-11-18)25-26-16-20(3)27(25)17-22-8-4-5-9-23(22)30-14-6-7-19(2)15-24(28)29/h4-5,8-13,16,19H,6-7,14-15,17H2,1-3H3,(H,28,29)
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n/an/an/an/a 24.3n/an/an/an/a



Mitobridge, Inc.

US Patent


Assay Description
Medium including test compound was aspirated and washed with PBS. 50 μl PBS including 1 mM Mg++ and Ca++ were then added to each well. The lucif...


US Patent US10399958 (2019)


BindingDB Entry DOI: 10.7270/Q26Q20MJ
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM412350
PNG
(US10399958, Compound 2o)
Show SMILES CC(CCCOc1ccccc1Cn1c(C)cnc1-c1ccc(cc1)C(F)F)CC(O)=O
Show InChI InChI=1S/C25H28F2N2O3/c1-17(14-23(30)31)6-5-13-32-22-8-4-3-7-21(22)16-29-18(2)15-28-25(29)20-11-9-19(10-12-20)24(26)27/h3-4,7-12,15,17,24H,5-6,13-14,16H2,1-2H3,(H,30,31)
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n/an/an/an/a 9.90n/an/an/an/a



Mitobridge, Inc.

US Patent


Assay Description
Medium including test compound was aspirated and washed with PBS. 50 μl PBS including 1 mM Mg++ and Ca++ were then added to each well. The lucif...


US Patent US10399958 (2019)


BindingDB Entry DOI: 10.7270/Q26Q20MJ
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM412355
PNG
(US10399958, Comparator Compound 1)
Show SMILES Cc1cnc(-c2ccc(cc2)C(F)(F)F)n1Cc1ccccc1OCCCCCC(O)=O
Show InChI InChI=1S/C24H25F3N2O3/c1-17-15-28-23(18-10-12-20(13-11-18)24(25,26)27)29(17)16-19-7-4-5-8-21(19)32-14-6-2-3-9-22(30)31/h4-5,7-8,10-13,15H,2-3,6,9,14,16H2,1H3,(H,30,31)
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n/an/an/an/a 0.100n/an/an/an/a



Mitobridge, Inc.

US Patent


Assay Description
Medium including test compound was aspirated and washed with PBS. 50 μl PBS including 1 mM Mg++ and Ca++ were then added to each well. The lucif...


US Patent US10399958 (2019)


BindingDB Entry DOI: 10.7270/Q26Q20MJ
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM412336
PNG
(US10399958, Compound 2a)
Show SMILES CC(CCCOc1ccccc1Cn1c(C)cnc1-c1ccc(OC(F)(F)F)cc1)CC(O)=O
Show InChI InChI=1S/C25H27F3N2O4/c1-17(14-23(31)32)6-5-13-33-22-8-4-3-7-20(22)16-30-18(2)15-29-24(30)19-9-11-21(12-10-19)34-25(26,27)28/h3-4,7-12,15,17H,5-6,13-14,16H2,1-2H3,(H,31,32)
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n/an/an/an/a 1n/an/an/an/a



Mitobridge, Inc.

US Patent


Assay Description
Medium including test compound was aspirated and washed with PBS. 50 μl PBS including 1 mM Mg++ and Ca++ were then added to each well. The lucif...


US Patent US10399958 (2019)


BindingDB Entry DOI: 10.7270/Q26Q20MJ
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM412344
PNG
(US10399958, Compound 2i)
Show SMILES Cc1cnc(-c2ccc(Cl)c(F)c2)n1Cc1ccccc1OCCCCC(C)(C)C(O)=O
Show InChI InChI=1S/C25H28ClFN2O3/c1-17-15-28-23(18-10-11-20(26)21(27)14-18)29(17)16-19-8-4-5-9-22(19)32-13-7-6-12-25(2,3)24(30)31/h4-5,8-11,14-15H,6-7,12-13,16H2,1-3H3,(H,30,31)
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n/an/an/an/a 18.8n/an/an/an/a



Mitobridge, Inc.

US Patent


Assay Description
Medium including test compound was aspirated and washed with PBS. 50 μl PBS including 1 mM Mg++ and Ca++ were then added to each well. The lucif...


US Patent US10399958 (2019)


BindingDB Entry DOI: 10.7270/Q26Q20MJ
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM412347
PNG
(US10399958, Compound 2l)
Show SMILES CC(CCCOc1ccccc1Cn1c(C)cnc1-c1ccc(OC(F)F)cc1)CC(O)=O
Show InChI InChI=1S/C25H28F2N2O4/c1-17(14-23(30)31)6-5-13-32-22-8-4-3-7-20(22)16-29-18(2)15-28-24(29)19-9-11-21(12-10-19)33-25(26)27/h3-4,7-12,15,17,25H,5-6,13-14,16H2,1-2H3,(H,30,31)
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n/an/an/an/a 13.5n/an/an/an/a



Mitobridge, Inc.

US Patent


Assay Description
Medium including test compound was aspirated and washed with PBS. 50 μl PBS including 1 mM Mg++ and Ca++ were then added to each well. The lucif...


US Patent US10399958 (2019)


BindingDB Entry DOI: 10.7270/Q26Q20MJ
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM412354
PNG
((S)-3-methyl-6-(2-((5-methyl-2-(6-(trifluoromethyl...)
Show SMILES C[C@@H](CCCOc1ccccc1Cn1c(C)cnc1-c1ccc(nc1)C(F)(F)F)CC(O)=O
Show InChI InChI=1S/C24H26F3N3O3/c1-16(12-22(31)32)6-5-11-33-20-8-4-3-7-19(20)15-30-17(2)13-29-23(30)18-9-10-21(28-14-18)24(25,26)27/h3-4,7-10,13-14,16H,5-6,11-12,15H2,1-2H3,(H,31,32)/t16-/m0/s1
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n/an/an/an/a 227n/an/an/an/a



Mitobridge, Inc.

US Patent


Assay Description
Medium including test compound was aspirated and washed with PBS. 50 μl PBS including 1 mM Mg++ and Ca++ were then added to each well. The lucif...


US Patent US10399958 (2019)


BindingDB Entry DOI: 10.7270/Q26Q20MJ
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM412356
PNG
(US10399958, Comparator Compound 2)
Show SMILES Cc1cnc(-c2ccc(nc2)C(F)(F)F)n1Cc1ccccc1OCCCCCC(O)=O
Show InChI InChI=1S/C23H24F3N3O3/c1-16-13-28-22(17-10-11-20(27-14-17)23(24,25)26)29(16)15-18-7-4-5-8-19(18)32-12-6-2-3-9-21(30)31/h4-5,7-8,10-11,13-14H,2-3,6,9,12,15H2,1H3,(H,30,31)
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n/an/an/an/a 3.80n/an/an/an/a



Mitobridge, Inc.

US Patent


Assay Description
Medium including test compound was aspirated and washed with PBS. 50 μl PBS including 1 mM Mg++ and Ca++ were then added to each well. The lucif...


US Patent US10399958 (2019)


BindingDB Entry DOI: 10.7270/Q26Q20MJ
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM412337
PNG
(US10399958, Compound 2b)
Show SMILES CC(CCCOc1ccccc1Cn1c(C)cnc1-c1ccc(Cl)cc1)CC(O)=O
Show InChI InChI=1S/C24H27ClN2O3/c1-17(14-23(28)29)6-5-13-30-22-8-4-3-7-20(22)16-27-18(2)15-26-24(27)19-9-11-21(25)12-10-19/h3-4,7-12,15,17H,5-6,13-14,16H2,1-2H3,(H,28,29)
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n/an/an/an/a 7.80n/an/an/an/a



Mitobridge, Inc.

US Patent


Assay Description
Medium including test compound was aspirated and washed with PBS. 50 μl PBS including 1 mM Mg++ and Ca++ were then added to each well. The lucif...


US Patent US10399958 (2019)


BindingDB Entry DOI: 10.7270/Q26Q20MJ
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM412339
PNG
(US10399958, Compound 2d)
Show SMILES CC(CCCOc1ccccc1Cn1c(C)cnc1-c1ccc(cc1)C(F)(F)F)CC(O)=O
Show InChI InChI=1S/C25H27F3N2O3/c1-17(14-23(31)32)6-5-13-33-22-8-4-3-7-20(22)16-30-18(2)15-29-24(30)19-9-11-21(12-10-19)25(26,27)28/h3-4,7-12,15,17H,5-6,13-14,16H2,1-2H3,(H,31,32)
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n/an/an/an/a 0.100n/an/an/an/a



Mitobridge, Inc.

US Patent


Assay Description
Medium including test compound was aspirated and washed with PBS. 50 μl PBS including 1 mM Mg++ and Ca++ were then added to each well. The lucif...


US Patent US10399958 (2019)


BindingDB Entry DOI: 10.7270/Q26Q20MJ
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM412345
PNG
(US10399958, Compound 2j)
Show SMILES CC(CCCOc1ccccc1Cn1c(C)cnc1-c1ccc(Cl)c(F)c1)CC(O)=O
Show InChI InChI=1S/C24H26ClFN2O3/c1-16(12-23(29)30)6-5-11-31-22-8-4-3-7-19(22)15-28-17(2)14-27-24(28)18-9-10-20(25)21(26)13-18/h3-4,7-10,13-14,16H,5-6,11-12,15H2,1-2H3,(H,29,30)
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US Patent
n/an/an/an/a 0.800n/an/an/an/a



Mitobridge, Inc.

US Patent


Assay Description
Medium including test compound was aspirated and washed with PBS. 50 μl PBS including 1 mM Mg++ and Ca++ were then added to each well. The lucif...


US Patent US10399958 (2019)


BindingDB Entry DOI: 10.7270/Q26Q20MJ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%