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Patent code US9562012

Compile Data Set for Download or QSAR
Found 23 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/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
PPAR gamma


()
BDBM50030474
PNG
(Avandamet | Avandaryl | Avandia | BRL-49653 | CHEB...)
Show SMILES CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1
Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,15H,10-12H2,1H3,(H,20,22,23)
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US Patent
n/an/a 125n/an/an/an/an/an/a



Metabolic Solutions Development Company, LLC

US Patent


Assay Description
PPARγ binding is measured by a TR-FRET competitive binding assay using Invitrogen LanthaScreen TR-FRET PPARγ Competitive Binding Assay (I...


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More data for this
Ligand-Target Pair
PPAR gamma


()
BDBM228151
PNG
((2s)-2-ethoxy-3-{4-[2-(3-methoxyphenyl)-2-oxoethox...)
Show SMILES CCO[C@@H](Cc1ccc(OCCc2ccc(OS(C)(=O)=O)cc2)cc1)C(=O)N(C)OC
Show InChI InChI=1S/C22H29NO7S/c1-5-28-21(22(24)23(2)27-3)16-18-8-10-19(11-9-18)29-15-14-17-6-12-20(13-7-17)30-31(4,25)26/h6-13,21H,5,14-16H2,1-4H3/t21-/m0/s1
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n/an/a 3.70E+3n/an/an/an/an/an/a



Metabolic Solutions Development Company, LLC

US Patent


Assay Description
PPARγ binding is measured by a TR-FRET competitive binding assay using Invitrogen LanthaScreen TR-FRET PPARγ Competitive Binding Assay (I...


Citation and Details
More data for this
Ligand-Target Pair
PPAR gamma


()
BDBM228140
PNG
((2s)-2-ethoxy-n-methoxy-3-{4-[(4-methoxypyridin-2-...)
Show SMILES CCO[C@@H](Cc1ccc(OCCc2ccc(OS(C)(=O)=O)cc2)cc1)C(=O)NOC
Show InChI InChI=1S/C21H27NO7S/c1-4-27-20(21(23)22-26-2)15-17-7-9-18(10-8-17)28-14-13-16-5-11-19(12-6-16)29-30(3,24)25/h5-12,20H,4,13-15H2,1-3H3,(H,22,23)/t20-/m0/s1
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n/an/a 7.90E+3n/an/an/an/an/an/a



Metabolic Solutions Development Company, LLC

US Patent


Assay Description
PPARγ binding is measured by a TR-FRET competitive binding assay using Invitrogen LanthaScreen TR-FRET PPARγ Competitive Binding Assay (I...


Citation and Details
More data for this
Ligand-Target Pair
PPAR gamma


()
BDBM228150
PNG
(US9562012, 20 | ethyl (2s)-2-ethoxy-3-{4-[2-(3-met...)
Show SMILES CCO[C@@H](Cc1ccc(OCCc2ccc(OS(C)(=O)=O)cc2)cc1)C(=O)N(C)O
Show InChI InChI=1S/C21H27NO7S/c1-4-27-20(21(23)22(2)24)15-17-7-9-18(10-8-17)28-14-13-16-5-11-19(12-6-16)29-30(3,25)26/h5-12,20,24H,4,13-15H2,1-3H3/t20-/m0/s1
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n/an/a 1.09E+4n/an/an/an/an/an/a



Metabolic Solutions Development Company, LLC

US Patent


Assay Description
PPARγ binding is measured by a TR-FRET competitive binding assay using Invitrogen LanthaScreen TR-FRET PPARγ Competitive Binding Assay (I...


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More data for this
Ligand-Target Pair
PPAR gamma


()
BDBM228137
PNG
((2s)-2-ethoxy-3-{4-[(4-methoxypyridin-2-yl)methoxy...)
Show SMILES CCO[C@@H](Cc1ccc(OCc2cccc(I)c2)cc1)C(=O)NO
Show InChI InChI=1S/C18H20INO4/c1-2-23-17(18(21)20-22)11-13-6-8-16(9-7-13)24-12-14-4-3-5-15(19)10-14/h3-10,17,22H,2,11-12H2,1H3,(H,20,21)/t17-/m0/s1
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n/an/a 1.18E+4n/an/an/an/an/an/a



Metabolic Solutions Development Company, LLC

US Patent


Assay Description
PPARγ binding is measured by a TR-FRET competitive binding assay using Invitrogen LanthaScreen TR-FRET PPARγ Competitive Binding Assay (I...


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More data for this
Ligand-Target Pair
PPAR gamma


()
BDBM228129
PNG
(US9562012, mitoglitazone)
Show SMILES CCc1ccc(nc1)C(=O)COc1ccc(CC2SC(=O)NC2=O)cc1
Show InChI InChI=1S/C19H18N2O4S/c1-2-12-5-8-15(20-10-12)16(22)11-25-14-6-3-13(4-7-14)9-17-18(23)21-19(24)26-17/h3-8,10,17H,2,9,11H2,1H3,(H,21,23,24)
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n/an/a 2.66E+4n/an/an/an/an/an/a



Metabolic Solutions Development Company, LLC

US Patent


Assay Description
PPARγ binding is measured by a TR-FRET competitive binding assay using Invitrogen LanthaScreen TR-FRET PPARγ Competitive Binding Assay (I...


Citation and Details
More data for this
Ligand-Target Pair
PPAR gamma


()
BDBM228134
PNG
(US9562012, 4 | ethyl (2s)-2-ethoxy-3-[4-(pyridin-2...)
Show SMILES CCO[C@@H](Cc1ccc(OCc2cc(CO)ccn2)cc1)C(=O)N(C)OC
Show InChI InChI=1S/C20H26N2O5/c1-4-26-19(20(24)22(2)25-3)12-15-5-7-18(8-6-15)27-14-17-11-16(13-23)9-10-21-17/h5-11,19,23H,4,12-14H2,1-3H3/t19-/m0/s1
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n/an/a 2.77E+4n/an/an/an/an/an/a



Metabolic Solutions Development Company, LLC

US Patent


Assay Description
PPARγ binding is measured by a TR-FRET competitive binding assay using Invitrogen LanthaScreen TR-FRET PPARγ Competitive Binding Assay (I...


Citation and Details
More data for this
Ligand-Target Pair
PPAR gamma


()
BDBM228147
PNG
(US9562012, 17 | ethyl (2r)-2-ethoxy-3-{4-[(2s)-2-h...)
Show SMILES CCO[C@@H](Cc1ccc(OC[C@@H](O)c2cccc(CO)c2)cc1)C(=O)N(C)OC
Show InChI InChI=1S/C22H29NO6/c1-4-28-21(22(26)23(2)27-3)13-16-8-10-19(11-9-16)29-15-20(25)18-7-5-6-17(12-18)14-24/h5-12,20-21,24-25H,4,13-15H2,1-3H3/t20-,21+/m1/s1
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n/an/a 2.77E+4n/an/an/an/an/an/a



Metabolic Solutions Development Company, LLC

US Patent


Assay Description
PPARγ binding is measured by a TR-FRET competitive binding assay using Invitrogen LanthaScreen TR-FRET PPARγ Competitive Binding Assay (I...


Citation and Details
More data for this
Ligand-Target Pair
PPAR gamma


()
BDBM228141
PNG
((2s)-2-ethoxy-n-hydroxy-3-{4-[(4-methoxypyridin-2-...)
Show SMILES CCO[C@H](Cc1ccc(OCC(=O)c2cccc(CO)c2)cc1)C(=O)N(C)OC
Show InChI InChI=1S/C22H27NO6/c1-4-28-21(22(26)23(2)27-3)13-16-8-10-19(11-9-16)29-15-20(25)18-7-5-6-17(12-18)14-24/h5-12,21,24H,4,13-15H2,1-3H3/t21-/m1/s1
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n/an/a 3.05E+4n/an/an/an/an/an/a



Metabolic Solutions Development Company, LLC

US Patent


Assay Description
PPARγ binding is measured by a TR-FRET competitive binding assay using Invitrogen LanthaScreen TR-FRET PPARγ Competitive Binding Assay (I...


Citation and Details
More data for this
Ligand-Target Pair
PPAR gamma


()
BDBM228131
PNG
(US9562012, 1 | ethyl (2s)-2-ethoxy-3-(4-hydroxyphe...)
Show SMILES CCO[C@@H](Cc1ccc(OCc2ccccn2)cc1)C(=O)NO
Show InChI InChI=1S/C17H20N2O4/c1-2-22-16(17(20)19-21)11-13-6-8-15(9-7-13)23-12-14-5-3-4-10-18-14/h3-10,16,21H,2,11-12H2,1H3,(H,19,20)/t16-/m0/s1
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n/an/a 5.89E+4n/an/an/an/an/an/a



Metabolic Solutions Development Company, LLC

US Patent


Assay Description
PPARγ binding is measured by a TR-FRET competitive binding assay using Invitrogen LanthaScreen TR-FRET PPARγ Competitive Binding Assay (I...


Citation and Details
More data for this
Ligand-Target Pair
PPAR gamma


()
BDBM228143
PNG
((2r)-2-ethoxy-3-{4-[2-(3-methoxyphenyl)-2-oxoethox...)
Show SMILES CCO[C@@H](Cc1ccc(OCC(=O)c2cccc(CO)c2)cc1)C(=O)NOC
Show InChI InChI=1S/C21H25NO6/c1-3-27-20(21(25)22-26-2)12-15-7-9-18(10-8-15)28-14-19(24)17-6-4-5-16(11-17)13-23/h4-11,20,23H,3,12-14H2,1-2H3,(H,22,25)/t20-/m0/s1
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n/an/a 6.14E+4n/an/an/an/an/an/a



Metabolic Solutions Development Company, LLC

US Patent


Assay Description
PPARγ binding is measured by a TR-FRET competitive binding assay using Invitrogen LanthaScreen TR-FRET PPARγ Competitive Binding Assay (I...


Citation and Details
More data for this
Ligand-Target Pair
PPAR gamma


()
BDBM228138
PNG
((2s)-2-ethoxy-n-hydroxy-3-{4-[(4-methoxypyridin-2-...)
Show SMILES CCO[C@H](Cc1ccc(OCC(=O)c2cccc(CO)c2)cc1)C(=O)NOC
Show InChI InChI=1S/C21H25NO6/c1-3-27-20(21(25)22-26-2)12-15-7-9-18(10-8-15)28-14-19(24)17-6-4-5-16(11-17)13-23/h4-11,20,23H,3,12-14H2,1-2H3,(H,22,25)/t20-/m1/s1
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n/an/a 9.85E+4n/an/an/an/an/an/a



Metabolic Solutions Development Company, LLC

US Patent


Assay Description
PPARγ binding is measured by a TR-FRET competitive binding assay using Invitrogen LanthaScreen TR-FRET PPARγ Competitive Binding Assay (I...


Citation and Details
More data for this
Ligand-Target Pair
PPAR gamma


()
BDBM228132
PNG
(US9562012, 2 | ethyl (2r)-2-ethoxy-3-(4-hydroxyphe...)
Show SMILES CCO[C@H](Cc1ccc(OC[C@@H](O)c2cccc(CO)c2)cc1)C(=O)NO
Show InChI InChI=1S/C20H25NO6/c1-2-26-19(20(24)21-25)11-14-6-8-17(9-7-14)27-13-18(23)16-5-3-4-15(10-16)12-22/h3-10,18-19,22-23,25H,2,11-13H2,1H3,(H,21,24)/t18-,19-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Metabolic Solutions Development Company, LLC

US Patent


Assay Description
PPARγ binding is measured by a TR-FRET competitive binding assay using Invitrogen LanthaScreen TR-FRET PPARγ Competitive Binding Assay (I...


Citation and Details
More data for this
Ligand-Target Pair
PPAR gamma


()
BDBM228142
PNG
(US9562012, 12 | ethyl (2r)-2-ethoxy-3-{4-[2-(3-met...)
Show SMILES CCO[C@@H](Cc1ccc(OC[C@@H](O)c2cccc(CO)c2)cc1)C(=O)NOC
Show InChI InChI=1S/C21H27NO6/c1-3-27-20(21(25)22-26-2)12-15-7-9-18(10-8-15)28-14-19(24)17-6-4-5-16(11-17)13-23/h4-11,19-20,23-24H,3,12-14H2,1-2H3,(H,22,25)/t19-,20+/m1/s1
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n/an/a 1.64E+5n/an/an/an/an/an/a



Metabolic Solutions Development Company, LLC

US Patent


Assay Description
PPARγ binding is measured by a TR-FRET competitive binding assay using Invitrogen LanthaScreen TR-FRET PPARγ Competitive Binding Assay (I...


Citation and Details
More data for this
Ligand-Target Pair
PPAR gamma


()
BDBM228146
PNG
((2r)-2-ethoxy-3-{4-[(2s)-2-hydroxy-2-(3-methoxyphe...)
Show SMILES CCO[C@@H](Cc1ccc(OC[C@H](O)c2cccc(CO)c2)cc1)C(=O)N(C)OC
Show InChI InChI=1S/C22H29NO6/c1-4-28-21(22(26)23(2)27-3)13-16-8-10-19(11-9-16)29-15-20(25)18-7-5-6-17(12-18)14-24/h5-12,20-21,24-25H,4,13-15H2,1-3H3/t20-,21-/m0/s1
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n/an/a 1.91E+5n/an/an/an/an/an/a



Metabolic Solutions Development Company, LLC

US Patent


Assay Description
PPARγ binding is measured by a TR-FRET competitive binding assay using Invitrogen LanthaScreen TR-FRET PPARγ Competitive Binding Assay (I...


Citation and Details
More data for this
Ligand-Target Pair
PPAR gamma


()
BDBM228136
PNG
(US9562012, 6 | ethyl (2s)-2-ethoxy-3-{4-[(4-methox...)
Show SMILES CCO[C@@H](Cc1ccc(OCc2cc(CO)ccn2)cc1)C(=O)N(C)O
Show InChI InChI=1S/C19H24N2O5/c1-3-25-18(19(23)21(2)24)11-14-4-6-17(7-5-14)26-13-16-10-15(12-22)8-9-20-16/h4-10,18,22,24H,3,11-13H2,1-2H3/t18-/m0/s1
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n/an/a>1.95E+5n/an/an/an/an/an/a



Metabolic Solutions Development Company, LLC

US Patent


Assay Description
PPARγ binding is measured by a TR-FRET competitive binding assay using Invitrogen LanthaScreen TR-FRET PPARγ Competitive Binding Assay (I...


Citation and Details
More data for this
Ligand-Target Pair
PPAR gamma


()
BDBM228145
PNG
((2r)-2-ethoxy-n-methoxy-3-{4-[2-(3-methoxyphenyl)-...)
Show SMILES CCO[C@@H](Cc1ccc(OC[C@H](O)c2cccc(CO)c2)cc1)C(=O)NOC
Show InChI InChI=1S/C21H27NO6/c1-3-27-20(21(25)22-26-2)12-15-7-9-18(10-8-15)28-14-19(24)17-6-4-5-16(11-17)13-23/h4-11,19-20,23-24H,3,12-14H2,1-2H3,(H,22,25)/t19-,20-/m0/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



Metabolic Solutions Development Company, LLC

US Patent


Assay Description
PPARγ binding is measured by a TR-FRET competitive binding assay using Invitrogen LanthaScreen TR-FRET PPARγ Competitive Binding Assay (I...


Citation and Details
More data for this
Ligand-Target Pair
PPAR gamma


()
BDBM228148
PNG
((2r)-2-ethoxy-n-hydroxy-3-{4-[(2s)-2-hydroxy-2-(3-...)
Show SMILES CCO[C@H](Cc1ccc(OC[C@@H](O)c2cccc(CO)c2)cc1)C(=O)NOC
Show InChI InChI=1S/C21H27NO6/c1-3-27-20(21(25)22-26-2)12-15-7-9-18(10-8-15)28-14-19(24)17-6-4-5-16(11-17)13-23/h4-11,19-20,23-24H,3,12-14H2,1-2H3,(H,22,25)/t19-,20-/m1/s1
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n/an/a>2.50E+5n/an/an/an/an/an/a



Metabolic Solutions Development Company, LLC

US Patent


Assay Description
PPARγ binding is measured by a TR-FRET competitive binding assay using Invitrogen LanthaScreen TR-FRET PPARγ Competitive Binding Assay (I...


Citation and Details
More data for this
Ligand-Target Pair
PPAR gamma


()
BDBM228139
PNG
((2s)-2-ethoxy-n-methoxy-3-{4-[(4-methoxypyridin-2-...)
Show SMILES CCO[C@@H](Cc1ccc(OCc2ccc(cc2)S(C)(=O)=O)cc1)C(=O)NOC
Show InChI InChI=1S/C20H25NO6S/c1-4-26-19(20(22)21-25-2)13-15-5-9-17(10-6-15)27-14-16-7-11-18(12-8-16)28(3,23)24/h5-12,19H,4,13-14H2,1-3H3,(H,21,22)/t19-/m0/s1
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n/an/a>2.50E+5n/an/an/an/an/an/a



Metabolic Solutions Development Company, LLC

US Patent


Assay Description
PPARγ binding is measured by a TR-FRET competitive binding assay using Invitrogen LanthaScreen TR-FRET PPARγ Competitive Binding Assay (I...


Citation and Details
More data for this
Ligand-Target Pair
PPAR gamma


()
BDBM228135
PNG
((2s)-2-ethoxy-n-hydroxy-3-[4-(pyridin-2-ylmethoxy)...)
Show SMILES CCO[C@@H](Cc1ccc(OCc2cc(CO)ccn2)cc1)C(=O)NOC
Show InChI InChI=1S/C19H24N2O5/c1-3-25-18(19(23)21-24-2)11-14-4-6-17(7-5-14)26-13-16-10-15(12-22)8-9-20-16/h4-10,18,22H,3,11-13H2,1-2H3,(H,21,23)/t18-/m0/s1
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Metabolic Solutions Development Company, LLC

US Patent


Assay Description
PPARγ binding is measured by a TR-FRET competitive binding assay using Invitrogen LanthaScreen TR-FRET PPARγ Competitive Binding Assay (I...


Citation and Details
More data for this
Ligand-Target Pair
PPAR gamma


()
BDBM228133
PNG
((2s)-2-ethoxy-n-hydroxy-3-{4-[(3-iodobenzyl)oxy]ph...)
Show SMILES CCO[C@@H](Cc1ccc(OCc2cc(CO)ccn2)cc1)C(=O)NO
Show InChI InChI=1S/C18H22N2O5/c1-2-24-17(18(22)20-23)10-13-3-5-16(6-4-13)25-12-15-9-14(11-21)7-8-19-15/h3-9,17,21,23H,2,10-12H2,1H3,(H,20,22)/t17-/m0/s1
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n/an/a>2.50E+5n/an/an/an/an/an/a



Metabolic Solutions Development Company, LLC

US Patent


Assay Description
PPARγ binding is measured by a TR-FRET competitive binding assay using Invitrogen LanthaScreen TR-FRET PPARγ Competitive Binding Assay (I...


Citation and Details
More data for this
Ligand-Target Pair
PPAR gamma


()
BDBM228149
PNG
((2r)-2-ethoxy-3-{4-[(2r)-2-hydroxy-2-(3-methoxyphe...)
Show SMILES CCO[C@H](Cc1ccc(OC[C@H](O)c2cccc(CO)c2)cc1)C(=O)NOC
Show InChI InChI=1S/C21H27NO6/c1-3-27-20(21(25)22-26-2)12-15-7-9-18(10-8-15)28-14-19(24)17-6-4-5-16(11-17)13-23/h4-11,19-20,23-24H,3,12-14H2,1-2H3,(H,22,25)/t19-,20+/m0/s1
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n/an/a>2.50E+5n/an/an/an/an/an/a



Metabolic Solutions Development Company, LLC

US Patent


Assay Description
PPARγ binding is measured by a TR-FRET competitive binding assay using Invitrogen LanthaScreen TR-FRET PPARγ Competitive Binding Assay (I...


Citation and Details
More data for this
Ligand-Target Pair
PPAR gamma


()
BDBM228144
PNG
((2r)-2-ethoxy-n-methoxy-3-{4-[2-(3-methoxyphenyl)-...)
Show SMILES CCO[C@@H](Cc1ccc(OCC(=O)c2cccc(CO)c2)cc1)C(=O)N(C)OC
Show InChI InChI=1S/C22H27NO6/c1-4-28-21(22(26)23(2)27-3)13-16-8-10-19(11-9-16)29-15-20(25)18-7-5-6-17(12-18)14-24/h5-12,21,24H,4,13-15H2,1-3H3/t21-/m0/s1
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n/an/a>2.50E+5n/an/an/an/an/an/a



Metabolic Solutions Development Company, LLC

US Patent


Assay Description
PPARγ binding is measured by a TR-FRET competitive binding assay using Invitrogen LanthaScreen TR-FRET PPARγ Competitive Binding Assay (I...


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%