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Patent code US9814715

Compile Data Set for Download or QSAR
Found 14 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
Liver X receptor (LXR beta)


(Homo sapiens (Human))
BDBM155261
PNG
(US9006244, E4a | US9814715, Example 4, isomer 1)
Show SMILES CC(C)[C@H]1N(CCn2c1cc1cc(CO)c(cc21)S(C)(=O)=O)c1nccc(n1)C(F)(F)F
Show InChI InChI=1S/C21H23F3N4O3S/c1-12(2)19-16-9-13-8-14(11-29)17(32(3,30)31)10-15(13)27(16)6-7-28(19)20-25-5-4-18(26-20)21(22,23)24/h4-5,8-10,12,19,29H,6-7,11H2,1-3H3/t19-/m1/s1
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4n/an/an/an/an/an/an/an/a



Vitae Pharamceuticals, Inc.

US Patent


Assay Description
Compounds of the invention were assessed in a competition binding assay where different concentrations of compounds were incubated with the LXR ligan...


US Patent US9814715 (2017)


BindingDB Entry DOI: 10.7270/Q23R0W1B
More data for this
Ligand-Target Pair
Liver X receptor (LXR beta)


(Homo sapiens (Human))
BDBM155257
PNG
(US9006244, E2a | US9814715, Example 2, isomer 1)
Show SMILES CC(C)[C@H]1N(CCn2c1nc1cc(CO)c(cc21)S(C)(=O)=O)c1nccc(n1)C(F)(F)F
Show InChI InChI=1S/C20H22F3N5O3S/c1-11(2)17-18-25-13-8-12(10-29)15(32(3,30)31)9-14(13)27(18)6-7-28(17)19-24-5-4-16(26-19)20(21,22)23/h4-5,8-9,11,17,29H,6-7,10H2,1-3H3/t17-/m1/s1
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20n/an/an/an/an/an/an/an/a



Vitae Pharamceuticals, Inc.

US Patent


Assay Description
Compounds of the invention were assessed in a competition binding assay where different concentrations of compounds were incubated with the LXR ligan...


US Patent US9814715 (2017)


BindingDB Entry DOI: 10.7270/Q23R0W1B
More data for this
Ligand-Target Pair
Liver X receptor (LXR beta)


(Homo sapiens (Human))
BDBM155259
PNG
(US9006244, E3a | US9814715, Example 3, isomer 1)
Show SMILES CC(C)[C@H]1N(CCn2c1cc1ccc(cc21)S(C)(=O)=O)c1nccc(n1)C(F)(F)F
Show InChI InChI=1S/C20H21F3N4O2S/c1-12(2)18-16-10-13-4-5-14(30(3,28)29)11-15(13)26(16)8-9-27(18)19-24-7-6-17(25-19)20(21,22)23/h4-7,10-12,18H,8-9H2,1-3H3/t18-/m1/s1
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27n/an/an/an/an/an/an/an/a



Vitae Pharamceuticals, Inc.

US Patent


Assay Description
Compounds of the invention were assessed in a competition binding assay where different concentrations of compounds were incubated with the LXR ligan...


US Patent US9814715 (2017)


BindingDB Entry DOI: 10.7270/Q23R0W1B
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha)


(Homo sapiens (Human))
BDBM155261
PNG
(US9006244, E4a | US9814715, Example 4, isomer 1)
Show SMILES CC(C)[C@H]1N(CCn2c1cc1cc(CO)c(cc21)S(C)(=O)=O)c1nccc(n1)C(F)(F)F
Show InChI InChI=1S/C21H23F3N4O3S/c1-12(2)19-16-9-13-8-14(11-29)17(32(3,30)31)10-15(13)27(16)6-7-28(19)20-25-5-4-18(26-20)21(22,23)24/h4-5,8-10,12,19,29H,6-7,11H2,1-3H3/t19-/m1/s1
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43n/an/an/an/an/an/an/an/a



Vitae Pharamceuticals, Inc.

US Patent


Assay Description
Compounds of the invention were assessed in a competition binding assay where different concentrations of compounds were incubated with the LXR ligan...


US Patent US9814715 (2017)


BindingDB Entry DOI: 10.7270/Q23R0W1B
More data for this
Ligand-Target Pair
Liver X receptor (LXR beta)


(Homo sapiens (Human))
BDBM354727
PNG
(1-isopropyl-7-(methylsulfonyl)-2-(4-(trifluorometh...)
Show SMILES CC(C)C1N(CCn2c1nc1ccc(cc21)S(C)(=O)=O)c1nccc(n1)C(F)(F)F
Show InChI InChI=1S/C19H20F3N5O2S/c1-11(2)16-17-24-13-5-4-12(30(3,28)29)10-14(13)26(17)8-9-27(16)18-23-7-6-15(25-18)19(20,21)22/h4-7,10-11,16H,8-9H2,1-3H3
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256n/an/an/an/an/an/an/an/a



Vitae Pharamceuticals, Inc.

US Patent


Assay Description
Compounds of the invention were assessed in a competition binding assay where different concentrations of compounds were incubated with the LXR ligan...


US Patent US9814715 (2017)


BindingDB Entry DOI: 10.7270/Q23R0W1B
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha)


(Homo sapiens (Human))
BDBM155257
PNG
(US9006244, E2a | US9814715, Example 2, isomer 1)
Show SMILES CC(C)[C@H]1N(CCn2c1nc1cc(CO)c(cc21)S(C)(=O)=O)c1nccc(n1)C(F)(F)F
Show InChI InChI=1S/C20H22F3N5O3S/c1-11(2)17-18-25-13-8-12(10-29)15(32(3,30)31)9-14(13)27(18)6-7-28(17)19-24-5-4-16(26-19)20(21,22)23/h4-5,8-9,11,17,29H,6-7,10H2,1-3H3/t17-/m1/s1
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318n/an/an/an/an/an/an/an/a



Vitae Pharamceuticals, Inc.

US Patent


Assay Description
Compounds of the invention were assessed in a competition binding assay where different concentrations of compounds were incubated with the LXR ligan...


US Patent US9814715 (2017)


BindingDB Entry DOI: 10.7270/Q23R0W1B
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha)


(Homo sapiens (Human))
BDBM155259
PNG
(US9006244, E3a | US9814715, Example 3, isomer 1)
Show SMILES CC(C)[C@H]1N(CCn2c1cc1ccc(cc21)S(C)(=O)=O)c1nccc(n1)C(F)(F)F
Show InChI InChI=1S/C20H21F3N4O2S/c1-12(2)18-16-10-13-4-5-14(30(3,28)29)11-15(13)26(16)8-9-27(18)19-24-7-6-17(25-19)20(21,22)23/h4-7,10-12,18H,8-9H2,1-3H3/t18-/m1/s1
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398n/an/an/an/an/an/an/an/a



Vitae Pharamceuticals, Inc.

US Patent


Assay Description
Compounds of the invention were assessed in a competition binding assay where different concentrations of compounds were incubated with the LXR ligan...


US Patent US9814715 (2017)


BindingDB Entry DOI: 10.7270/Q23R0W1B
More data for this
Ligand-Target Pair
Liver X receptor (LXR beta)


(Homo sapiens (Human))
BDBM155262
PNG
(US9006244, E4b | US9814715, Example 4, isomer 2)
Show SMILES CC(C)[C@@H]1N(CCn2c1cc1cc(CO)c(cc21)S(C)(=O)=O)c1nccc(n1)C(F)(F)F
Show InChI InChI=1S/C21H23F3N4O3S/c1-12(2)19-16-9-13-8-14(11-29)17(32(3,30)31)10-15(13)27(16)6-7-28(19)20-25-5-4-18(26-20)21(22,23)24/h4-5,8-10,12,19,29H,6-7,11H2,1-3H3/t19-/m0/s1
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846n/an/an/an/an/an/an/an/a



Vitae Pharamceuticals, Inc.

US Patent


Assay Description
Compounds of the invention were assessed in a competition binding assay where different concentrations of compounds were incubated with the LXR ligan...


US Patent US9814715 (2017)


BindingDB Entry DOI: 10.7270/Q23R0W1B
More data for this
Ligand-Target Pair
Liver X receptor (LXR beta)


(Homo sapiens (Human))
BDBM155260
PNG
(US9006244, E3b | US9814715, Example 3, isomer 2)
Show SMILES CC(C)[C@@H]1N(CCn2c1cc1ccc(cc21)S(C)(=O)=O)c1nccc(n1)C(F)(F)F
Show InChI InChI=1S/C20H21F3N4O2S/c1-12(2)18-16-10-13-4-5-14(30(3,28)29)11-15(13)26(16)8-9-27(18)19-24-7-6-17(25-19)20(21,22)23/h4-7,10-12,18H,8-9H2,1-3H3/t18-/m0/s1
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1.75E+3n/an/an/an/an/an/an/an/a



Vitae Pharamceuticals, Inc.

US Patent


Assay Description
Compounds of the invention were assessed in a competition binding assay where different concentrations of compounds were incubated with the LXR ligan...


US Patent US9814715 (2017)


BindingDB Entry DOI: 10.7270/Q23R0W1B
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha)


(Homo sapiens (Human))
BDBM354727
PNG
(1-isopropyl-7-(methylsulfonyl)-2-(4-(trifluorometh...)
Show SMILES CC(C)C1N(CCn2c1nc1ccc(cc21)S(C)(=O)=O)c1nccc(n1)C(F)(F)F
Show InChI InChI=1S/C19H20F3N5O2S/c1-11(2)16-17-24-13-5-4-12(30(3,28)29)10-14(13)26(17)8-9-27(16)18-23-7-6-15(25-18)19(20,21)22/h4-7,10-11,16H,8-9H2,1-3H3
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1.77E+3n/an/an/an/an/an/an/an/a



Vitae Pharamceuticals, Inc.

US Patent


Assay Description
Compounds of the invention were assessed in a competition binding assay where different concentrations of compounds were incubated with the LXR ligan...


US Patent US9814715 (2017)


BindingDB Entry DOI: 10.7270/Q23R0W1B
More data for this
Ligand-Target Pair
Liver X receptor (LXR beta)


(Homo sapiens (Human))
BDBM155258
PNG
(US9006244, E2b | US9814715, Example 2, isomer 2)
Show SMILES CC(C)[C@@H]1N(CCn2c1nc1cc(CO)c(cc21)S(C)(=O)=O)c1nccc(n1)C(F)(F)F
Show InChI InChI=1S/C20H22F3N5O3S/c1-11(2)17-18-25-13-8-12(10-29)15(32(3,30)31)9-14(13)27(18)6-7-28(17)19-24-5-4-16(26-19)20(21,22)23/h4-5,8-9,11,17,29H,6-7,10H2,1-3H3/t17-/m0/s1
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>2.50E+3n/an/an/an/an/an/an/an/a



Vitae Pharamceuticals, Inc.

US Patent


Assay Description
Compounds of the invention were assessed in a competition binding assay where different concentrations of compounds were incubated with the LXR ligan...


US Patent US9814715 (2017)


BindingDB Entry DOI: 10.7270/Q23R0W1B
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha)


(Homo sapiens (Human))
BDBM155260
PNG
(US9006244, E3b | US9814715, Example 3, isomer 2)
Show SMILES CC(C)[C@@H]1N(CCn2c1cc1ccc(cc21)S(C)(=O)=O)c1nccc(n1)C(F)(F)F
Show InChI InChI=1S/C20H21F3N4O2S/c1-12(2)18-16-10-13-4-5-14(30(3,28)29)11-15(13)26(16)8-9-27(18)19-24-7-6-17(25-19)20(21,22)23/h4-7,10-12,18H,8-9H2,1-3H3/t18-/m0/s1
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>3.33E+3n/an/an/an/an/an/an/an/a



Vitae Pharamceuticals, Inc.

US Patent


Assay Description
Compounds of the invention were assessed in a competition binding assay where different concentrations of compounds were incubated with the LXR ligan...


US Patent US9814715 (2017)


BindingDB Entry DOI: 10.7270/Q23R0W1B
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha)


(Homo sapiens (Human))
BDBM155262
PNG
(US9006244, E4b | US9814715, Example 4, isomer 2)
Show SMILES CC(C)[C@@H]1N(CCn2c1cc1cc(CO)c(cc21)S(C)(=O)=O)c1nccc(n1)C(F)(F)F
Show InChI InChI=1S/C21H23F3N4O3S/c1-12(2)19-16-9-13-8-14(11-29)17(32(3,30)31)10-15(13)27(16)6-7-28(19)20-25-5-4-18(26-20)21(22,23)24/h4-5,8-10,12,19,29H,6-7,11H2,1-3H3/t19-/m0/s1
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>3.33E+3n/an/an/an/an/an/an/an/a



Vitae Pharamceuticals, Inc.

US Patent


Assay Description
Compounds of the invention were assessed in a competition binding assay where different concentrations of compounds were incubated with the LXR ligan...


US Patent US9814715 (2017)


BindingDB Entry DOI: 10.7270/Q23R0W1B
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha)


(Homo sapiens (Human))
BDBM155258
PNG
(US9006244, E2b | US9814715, Example 2, isomer 2)
Show SMILES CC(C)[C@@H]1N(CCn2c1nc1cc(CO)c(cc21)S(C)(=O)=O)c1nccc(n1)C(F)(F)F
Show InChI InChI=1S/C20H22F3N5O3S/c1-11(2)17-18-25-13-8-12(10-29)15(32(3,30)31)9-14(13)27(18)6-7-28(17)19-24-5-4-16(26-19)20(21,22)23/h4-5,8-9,11,17,29H,6-7,10H2,1-3H3/t17-/m0/s1
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>3.33E+3n/an/an/an/an/an/an/an/a



Vitae Pharamceuticals, Inc.

US Patent


Assay Description
Compounds of the invention were assessed in a competition binding assay where different concentrations of compounds were incubated with the LXR ligan...


US Patent US9814715 (2017)


BindingDB Entry DOI: 10.7270/Q23R0W1B
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%