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Compile Data Set for Download or QSAR

Found 108 hits Enz. Inhib. hit(s) with all data for entry = 7040   
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 alpha AND LXR beta)


(Homo sapiens (Human))
BDBM168079
PNG
(US9073931, E27a | US9073931, E7a)
Show SMILES CC(C)[C@H]1N(CCn2c1nc1cc(CO)c(cc21)S(C)(=O)=O)c1ncc(c(n1)C(F)(F)F)C(C)(C)O
Show InChI InChI=1S/C23H28F3N5O4S/c1-12(2)18-20-28-15-8-13(11-32)17(36(5,34)35)9-16(15)30(20)6-7-31(18)21-27-10-14(22(3,4)33)19(29-21)23(24,25)26/h8-10,12,18,32-33H,6-7,11H2,1-5H3/t18-/m1/s1
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2 -49.7n/an/an/an/an/an/a25



Vitae Pharmaceuticals, 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 US9073931 (2015)


BindingDB Entry DOI: 10.7270/Q26W98VC
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM168122
PNG
(US9073931, E28)
Show SMILES CCOC(=O)c1cnc(nc1C(F)(F)F)N1CCn2c(nc3cc(CO)c(cc23)S(C)(=O)=O)C1C(C)C
Show InChI InChI=1S/C23H26F3N5O5S/c1-5-36-21(33)14-10-27-22(29-19(14)23(24,25)26)31-7-6-30-16-9-17(37(4,34)35)13(11-32)8-15(16)28-20(30)18(31)12(2)3/h8-10,12,18,32H,5-7,11H2,1-4H3
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5 -47.4n/an/an/an/an/an/a25



Vitae Pharmaceuticals, 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 US9073931 (2015)


BindingDB Entry DOI: 10.7270/Q26W98VC
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM168117
PNG
(US9073931, E25a)
Show SMILES CC(C)[C@H]1N(CCn2c1nc1ccc(cc21)S(C)(=O)=O)c1ncc(CO)c(n1)C(F)(F)F
Show InChI InChI=1S/C20H22F3N5O3S/c1-11(2)16-18-25-14-5-4-13(32(3,30)31)8-15(14)27(18)6-7-28(16)19-24-9-12(10-29)17(26-19)20(21,22)23/h4-5,8-9,11,16,29H,6-7,10H2,1-3H3/t16-/m1/s1
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6 -46.9n/an/an/an/an/an/a25



Vitae Pharmaceuticals, 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 US9073931 (2015)


BindingDB Entry DOI: 10.7270/Q26W98VC
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM168093
PNG
(US9073931, E12)
Show SMILES CCOC(=O)c1cnc(nc1C(F)(F)F)N1CCn2c(nc3cc(CO)c(cc23)S(C)(=O)=O)[C@H]1C(C)C
Show InChI InChI=1S/C23H26F3N5O5S/c1-5-36-21(33)14-10-27-22(29-19(14)23(24,25)26)31-7-6-30-16-9-17(37(4,34)35)13(11-32)8-15(16)28-20(30)18(31)12(2)3/h8-10,12,18,32H,5-7,11H2,1-4H3/t18-/m1/s1
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6 -46.9n/an/an/an/an/an/a25



Vitae Pharmaceuticals, 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 US9073931 (2015)


BindingDB Entry DOI: 10.7270/Q26W98VC
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM168119
PNG
(US9073931, E26)
Show SMILES CC(C)C1N(CCn2c1nc1cc(CO)c(cc21)S(C)(=O)=O)c1ncc(C(C)=O)c(n1)C(F)(F)F
Show InChI InChI=1S/C22H24F3N5O4S/c1-11(2)18-20-27-15-7-13(10-31)17(35(4,33)34)8-16(15)29(20)5-6-30(18)21-26-9-14(12(3)32)19(28-21)22(23,24)25/h7-9,11,18,31H,5-6,10H2,1-4H3
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7 -46.5n/an/an/an/an/an/a25



Vitae Pharmaceuticals, 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 US9073931 (2015)


BindingDB Entry DOI: 10.7270/Q26W98VC
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM168088
PNG
(US9073931, E10b | US9073931, E10c)
Show SMILES CCC(O)c1cnc(nc1C(F)(F)F)N1CCn2c(nc3cc(CO)c(cc23)S(C)(=O)=O)[C@H]1C(C)C
Show InChI InChI=1S/C23H28F3N5O4S/c1-5-17(33)14-10-27-22(29-20(14)23(24,25)26)31-7-6-30-16-9-18(36(4,34)35)13(11-32)8-15(16)28-21(30)19(31)12(2)3/h8-10,12,17,19,32-33H,5-7,11H2,1-4H3/t17?,19-/m1/s1
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7 -46.5n/an/an/an/an/an/a25



Vitae Pharmaceuticals, 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 US9073931 (2015)


BindingDB Entry DOI: 10.7270/Q26W98VC
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM168088
PNG
(US9073931, E10b | US9073931, E10c)
Show SMILES CCC(O)c1cnc(nc1C(F)(F)F)N1CCn2c(nc3cc(CO)c(cc23)S(C)(=O)=O)[C@H]1C(C)C
Show InChI InChI=1S/C23H28F3N5O4S/c1-5-17(33)14-10-27-22(29-20(14)23(24,25)26)31-7-6-30-16-9-18(36(4,34)35)13(11-32)8-15(16)28-21(30)19(31)12(2)3/h8-10,12,17,19,32-33H,5-7,11H2,1-4H3/t17?,19-/m1/s1
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7 -46.5n/an/an/an/an/an/a25



Vitae Pharmaceuticals, 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 US9073931 (2015)


BindingDB Entry DOI: 10.7270/Q26W98VC
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM168113
PNG
(US9073931, E24a | US9073931, E24b)
Show SMILES CC(C)[C@H]1N(CCn2c1nc1ccc(cc21)S(C)(=O)=O)c1ncc(C(C)O)c(n1)C(F)(F)F
Show InChI InChI=1S/C21H24F3N5O3S/c1-11(2)17-19-26-15-6-5-13(33(4,31)32)9-16(15)28(19)7-8-29(17)20-25-10-14(12(3)30)18(27-20)21(22,23)24/h5-6,9-12,17,30H,7-8H2,1-4H3/t12?,17-/m1/s1
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7 -46.5n/an/an/an/an/an/a25



Vitae Pharmaceuticals, 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 US9073931 (2015)


BindingDB Entry DOI: 10.7270/Q26W98VC
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM168104
PNG
(US9073931, E18)
Show SMILES COc1nc(ncc1C(F)(F)F)N1CCn2c(nc3cc(CO)c(cc23)S(C)(=O)=O)[C@H]1C(C)C
Show InChI InChI=1S/C21H24F3N5O4S/c1-11(2)17-18-26-14-7-12(10-30)16(34(4,31)32)8-15(14)28(18)5-6-29(17)20-25-9-13(21(22,23)24)19(27-20)33-3/h7-9,11,17,30H,5-6,10H2,1-4H3/t17-/m1/s1
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8 -46.2n/an/an/an/an/an/a25



Vitae Pharmaceuticals, 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 US9073931 (2015)


BindingDB Entry DOI: 10.7270/Q26W98VC
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM168082
PNG
(US9073931, E8b | US9073931, E8c)
Show SMILES CC(C)[C@H]1N(CCn2c1nc1cc(CO)c(cc21)S(C)(=O)=O)c1ncc(C(C)O)c(n1)C(F)(F)F
Show InChI InChI=1S/C22H26F3N5O4S/c1-11(2)18-20-27-15-7-13(10-31)17(35(4,33)34)8-16(15)29(20)5-6-30(18)21-26-9-14(12(3)32)19(28-21)22(23,24)25/h7-9,11-12,18,31-32H,5-6,10H2,1-4H3/t12?,18-/m1/s1
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9 -45.9n/an/an/an/an/an/a25



Vitae Pharmaceuticals, 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 US9073931 (2015)


BindingDB Entry DOI: 10.7270/Q26W98VC
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM168125
PNG
(US9073931, E30)
Show SMILES COC(=O)c1cnc(nc1C(F)(F)F)N1CCn2c(nc3cc(CO)c(cc23)S(C)(=O)=O)[C@H]1C(C)C
Show InChI InChI=1S/C22H24F3N5O5S/c1-11(2)17-19-27-14-7-12(10-31)16(36(4,33)34)8-15(14)29(19)5-6-30(17)21-26-9-13(20(32)35-3)18(28-21)22(23,24)25/h7-9,11,17,31H,5-6,10H2,1-4H3/t17-/m1/s1
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10 -45.7n/an/an/an/an/an/a25



Vitae Pharmaceuticals, 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 US9073931 (2015)


BindingDB Entry DOI: 10.7270/Q26W98VC
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM168108
PNG
(US9073931, E21)
Show SMILES CC(C)[C@H]1N(CCn2c1nc1cc(CO)c(cc21)S(C)(=O)=O)c1ncc(C)c(n1)C(F)(F)F
Show InChI InChI=1S/C21H24F3N5O3S/c1-11(2)17-19-26-14-7-13(10-30)16(33(4,31)32)8-15(14)28(19)5-6-29(17)20-25-9-12(3)18(27-20)21(22,23)24/h7-9,11,17,30H,5-6,10H2,1-4H3/t17-/m1/s1
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10 -45.7n/an/an/an/an/an/a25



Vitae Pharmaceuticals, 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 US9073931 (2015)


BindingDB Entry DOI: 10.7270/Q26W98VC
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM168109
PNG
(US9073931, E22a)
Show SMILES CC(C)[C@H]1N(CCn2c1nc1ccc(cc21)S(C)(=O)=O)c1ncc(C(C)=O)c(n1)C(F)(F)F
Show InChI InChI=1S/C21H22F3N5O3S/c1-11(2)17-19-26-15-6-5-13(33(4,31)32)9-16(15)28(19)7-8-29(17)20-25-10-14(12(3)30)18(27-20)21(22,23)24/h5-6,9-11,17H,7-8H2,1-4H3/t17-/m1/s1
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12 -45.2n/an/an/an/an/an/a25



Vitae Pharmaceuticals, 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 US9073931 (2015)


BindingDB Entry DOI: 10.7270/Q26W98VC
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM168082
PNG
(US9073931, E8b | US9073931, E8c)
Show SMILES CC(C)[C@H]1N(CCn2c1nc1cc(CO)c(cc21)S(C)(=O)=O)c1ncc(C(C)O)c(n1)C(F)(F)F
Show InChI InChI=1S/C22H26F3N5O4S/c1-11(2)18-20-27-15-7-13(10-31)17(35(4,33)34)8-16(15)29(20)5-6-30(18)21-26-9-14(12(3)32)19(28-21)22(23,24)25/h7-9,11-12,18,31-32H,5-6,10H2,1-4H3/t12?,18-/m1/s1
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13 -45.0n/an/an/an/an/an/a25



Vitae Pharmaceuticals, 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 US9073931 (2015)


BindingDB Entry DOI: 10.7270/Q26W98VC
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM168079
PNG
(US9073931, E27a | US9073931, E7a)
Show SMILES CC(C)[C@H]1N(CCn2c1nc1cc(CO)c(cc21)S(C)(=O)=O)c1ncc(c(n1)C(F)(F)F)C(C)(C)O
Show InChI InChI=1S/C23H28F3N5O4S/c1-12(2)18-20-28-15-8-13(11-32)17(36(5,34)35)9-16(15)30(20)6-7-31(18)21-27-10-14(22(3,4)33)19(29-21)23(24,25)26/h8-10,12,18,32-33H,6-7,11H2,1-5H3/t18-/m1/s1
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14 -44.8n/an/an/an/an/an/a25



Vitae Pharmaceuticals, 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 US9073931 (2015)


BindingDB Entry DOI: 10.7270/Q26W98VC
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM168091
PNG
(US9073931, E11a | US9073931, E11b)
Show SMILES CCCC(O)c1cnc(nc1C(F)(F)F)N1CCn2c(nc3cc(CO)c(cc23)S(C)(=O)=O)[C@H]1C(C)C
Show InChI InChI=1S/C24H30F3N5O4S/c1-5-6-18(34)15-11-28-23(30-21(15)24(25,26)27)32-8-7-31-17-10-19(37(4,35)36)14(12-33)9-16(17)29-22(31)20(32)13(2)3/h9-11,13,18,20,33-34H,5-8,12H2,1-4H3/t18?,20-/m1/s1
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14 -44.8n/an/an/an/an/an/a25



Vitae Pharmaceuticals, 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 US9073931 (2015)


BindingDB Entry DOI: 10.7270/Q26W98VC
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM168077
PNG
(US9073931, E6a)
Show SMILES CC(C)[C@H]1N(CCn2c1nc1cc(CO)c(cc21)S(C)(=O)=O)c1ncc(C(C)=O)c(n1)C(F)(F)F
Show InChI InChI=1S/C22H24F3N5O4S/c1-11(2)18-20-27-15-7-13(10-31)17(35(4,33)34)8-16(15)29(20)5-6-30(18)21-26-9-14(12(3)32)19(28-21)22(23,24)25/h7-9,11,18,31H,5-6,10H2,1-4H3/t18-/m1/s1
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14 -44.8n/an/an/an/an/an/a25



Vitae Pharmaceuticals, 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 US9073931 (2015)


BindingDB Entry DOI: 10.7270/Q26W98VC
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM168094
PNG
(US9073931, E13a)
Show SMILES CC(C)[C@H]1N(CCn2c1nc1cc(CO)c(cc21)S(C)(=O)=O)c1ncc(CO)c(n1)C(F)(F)F
Show InChI InChI=1S/C21H24F3N5O4S/c1-11(2)17-19-26-14-6-12(9-30)16(34(3,32)33)7-15(14)28(19)4-5-29(17)20-25-8-13(10-31)18(27-20)21(22,23)24/h6-8,11,17,30-31H,4-5,9-10H2,1-3H3/t17-/m1/s1
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17 -44.3n/an/an/an/an/an/a25



Vitae Pharmaceuticals, 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 US9073931 (2015)


BindingDB Entry DOI: 10.7270/Q26W98VC
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM168085
PNG
(US9073931, E9a)
Show SMILES CCC(=O)c1cnc(nc1C(F)(F)F)N1CCn2c(nc3cc(CO)c(cc23)S(C)(=O)=O)[C@H]1C(C)C
Show InChI InChI=1S/C23H26F3N5O4S/c1-5-17(33)14-10-27-22(29-20(14)23(24,25)26)31-7-6-30-16-9-18(36(4,34)35)13(11-32)8-15(16)28-21(30)19(31)12(2)3/h8-10,12,19,32H,5-7,11H2,1-4H3/t19-/m1/s1
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17 -44.3n/an/an/an/an/an/a25



Vitae Pharmaceuticals, 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 US9073931 (2015)


BindingDB Entry DOI: 10.7270/Q26W98VC
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM168113
PNG
(US9073931, E24a | US9073931, E24b)
Show SMILES CC(C)[C@H]1N(CCn2c1nc1ccc(cc21)S(C)(=O)=O)c1ncc(C(C)O)c(n1)C(F)(F)F
Show InChI InChI=1S/C21H24F3N5O3S/c1-11(2)17-19-26-15-6-5-13(33(4,31)32)9-16(15)28(19)7-8-29(17)20-25-10-14(12(3)30)18(27-20)21(22,23)24/h5-6,9-12,17,30H,7-8H2,1-4H3/t12?,17-/m1/s1
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20 -43.9n/an/an/an/an/an/a25



Vitae Pharmaceuticals, 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 US9073931 (2015)


BindingDB Entry DOI: 10.7270/Q26W98VC
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM168111
PNG
(US9073931, E23a)
Show SMILES CC(C)[C@H]1N(CCn2c1nc1ccc(cc21)S(C)(=O)=O)c1ncc(c(n1)C(F)(F)F)C(C)(C)O
Show InChI InChI=1S/C22H26F3N5O3S/c1-12(2)17-19-27-15-7-6-13(34(5,32)33)10-16(15)29(19)8-9-30(17)20-26-11-14(21(3,4)31)18(28-20)22(23,24)25/h6-7,10-12,17,31H,8-9H2,1-5H3/t17-/m1/s1
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21 -43.8n/an/an/an/an/an/a25



Vitae Pharmaceuticals, 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 US9073931 (2015)


BindingDB Entry DOI: 10.7270/Q26W98VC
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM168091
PNG
(US9073931, E11a | US9073931, E11b)
Show SMILES CCCC(O)c1cnc(nc1C(F)(F)F)N1CCn2c(nc3cc(CO)c(cc23)S(C)(=O)=O)[C@H]1C(C)C
Show InChI InChI=1S/C24H30F3N5O4S/c1-5-6-18(34)15-11-28-23(30-21(15)24(25,26)27)32-8-7-31-17-10-19(37(4,35)36)14(12-33)9-16(17)29-22(31)20(32)13(2)3/h9-11,13,18,20,33-34H,5-8,12H2,1-4H3/t18?,20-/m1/s1
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23 -43.6n/an/an/an/an/an/a25



Vitae Pharmaceuticals, 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 US9073931 (2015)


BindingDB Entry DOI: 10.7270/Q26W98VC
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM168079
PNG
(US9073931, E27a | US9073931, E7a)
Show SMILES CC(C)[C@H]1N(CCn2c1nc1cc(CO)c(cc21)S(C)(=O)=O)c1ncc(c(n1)C(F)(F)F)C(C)(C)O
Show InChI InChI=1S/C23H28F3N5O4S/c1-12(2)18-20-28-15-8-13(11-32)17(36(5,34)35)9-16(15)30(20)6-7-31(18)21-27-10-14(22(3,4)33)19(29-21)23(24,25)26/h8-10,12,18,32-33H,6-7,11H2,1-5H3/t18-/m1/s1
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23 -43.6n/an/an/an/an/an/a25



Vitae Pharmaceuticals, 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 US9073931 (2015)


BindingDB Entry DOI: 10.7270/Q26W98VC
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM168122
PNG
(US9073931, E28)
Show SMILES CCOC(=O)c1cnc(nc1C(F)(F)F)N1CCn2c(nc3cc(CO)c(cc23)S(C)(=O)=O)C1C(C)C
Show InChI InChI=1S/C23H26F3N5O5S/c1-5-36-21(33)14-10-27-22(29-19(14)23(24,25)26)31-7-6-30-16-9-17(37(4,34)35)13(11-32)8-15(16)28-20(30)18(31)12(2)3/h8-10,12,18,32H,5-7,11H2,1-4H3
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26 -43.3n/an/an/an/an/an/a25



Vitae Pharmaceuticals, 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 US9073931 (2015)


BindingDB Entry DOI: 10.7270/Q26W98VC
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM168119
PNG
(US9073931, E26)
Show SMILES CC(C)C1N(CCn2c1nc1cc(CO)c(cc21)S(C)(=O)=O)c1ncc(C(C)=O)c(n1)C(F)(F)F
Show InChI InChI=1S/C22H24F3N5O4S/c1-11(2)18-20-27-15-7-13(10-31)17(35(4,33)34)8-16(15)29(20)5-6-30(18)21-26-9-14(12(3)32)19(28-21)22(23,24)25/h7-9,11,18,31H,5-6,10H2,1-4H3
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46 -41.9n/an/an/an/an/an/a25



Vitae Pharmaceuticals, 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 US9073931 (2015)


BindingDB Entry DOI: 10.7270/Q26W98VC
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM168093
PNG
(US9073931, E12)
Show SMILES CCOC(=O)c1cnc(nc1C(F)(F)F)N1CCn2c(nc3cc(CO)c(cc23)S(C)(=O)=O)[C@H]1C(C)C
Show InChI InChI=1S/C23H26F3N5O5S/c1-5-36-21(33)14-10-27-22(29-19(14)23(24,25)26)31-7-6-30-16-9-17(37(4,34)35)13(11-32)8-15(16)28-20(30)18(31)12(2)3/h8-10,12,18,32H,5-7,11H2,1-4H3/t18-/m1/s1
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49 -41.7n/an/an/an/an/an/a25



Vitae Pharmaceuticals, 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 US9073931 (2015)


BindingDB Entry DOI: 10.7270/Q26W98VC
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM168098
PNG
(US9073931, E15a | US9073931, E29a)
Show SMILES CC(C)[C@H]1N(CCn2c1nc1cc(CO)c(cc21)S(C)(=O)=O)c1ncc(C(N)=O)c(n1)C(F)(F)F
Show InChI InChI=1S/C21H23F3N6O4S/c1-10(2)16-19-27-13-6-11(9-31)15(35(3,33)34)7-14(13)29(19)4-5-30(16)20-26-8-12(18(25)32)17(28-20)21(22,23)24/h6-8,10,16,31H,4-5,9H2,1-3H3,(H2,25,32)/t16-/m1/s1
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50 -41.7n/an/an/an/an/an/a25



Vitae Pharmaceuticals, 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 US9073931 (2015)


BindingDB Entry DOI: 10.7270/Q26W98VC
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM168113
PNG
(US9073931, E24a | US9073931, E24b)
Show SMILES CC(C)[C@H]1N(CCn2c1nc1ccc(cc21)S(C)(=O)=O)c1ncc(C(C)O)c(n1)C(F)(F)F
Show InChI InChI=1S/C21H24F3N5O3S/c1-11(2)17-19-26-15-6-5-13(33(4,31)32)9-16(15)28(19)7-8-29(17)20-25-10-14(12(3)30)18(27-20)21(22,23)24/h5-6,9-12,17,30H,7-8H2,1-4H3/t12?,17-/m1/s1
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56 -41.4n/an/an/an/an/an/a25



Vitae Pharmaceuticals, 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 US9073931 (2015)


BindingDB Entry DOI: 10.7270/Q26W98VC
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM168082
PNG
(US9073931, E8b | US9073931, E8c)
Show SMILES CC(C)[C@H]1N(CCn2c1nc1cc(CO)c(cc21)S(C)(=O)=O)c1ncc(C(C)O)c(n1)C(F)(F)F
Show InChI InChI=1S/C22H26F3N5O4S/c1-11(2)18-20-27-15-7-13(10-31)17(35(4,33)34)8-16(15)29(20)5-6-30(18)21-26-9-14(12(3)32)19(28-21)22(23,24)25/h7-9,11-12,18,31-32H,5-6,10H2,1-4H3/t12?,18-/m1/s1
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65 -41.0n/an/an/an/an/an/a25



Vitae Pharmaceuticals, 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 US9073931 (2015)


BindingDB Entry DOI: 10.7270/Q26W98VC
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM168104
PNG
(US9073931, E18)
Show SMILES COc1nc(ncc1C(F)(F)F)N1CCn2c(nc3cc(CO)c(cc23)S(C)(=O)=O)[C@H]1C(C)C
Show InChI InChI=1S/C21H24F3N5O4S/c1-11(2)17-18-26-14-7-12(10-30)16(34(4,31)32)8-15(14)28(18)5-6-29(17)20-25-9-13(21(22,23)24)19(27-20)33-3/h7-9,11,17,30H,5-6,10H2,1-4H3/t17-/m1/s1
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70 -40.8n/an/an/an/an/an/a25



Vitae Pharmaceuticals, 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 US9073931 (2015)


BindingDB Entry DOI: 10.7270/Q26W98VC
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM168088
PNG
(US9073931, E10b | US9073931, E10c)
Show SMILES CCC(O)c1cnc(nc1C(F)(F)F)N1CCn2c(nc3cc(CO)c(cc23)S(C)(=O)=O)[C@H]1C(C)C
Show InChI InChI=1S/C23H28F3N5O4S/c1-5-17(33)14-10-27-22(29-20(14)23(24,25)26)31-7-6-30-16-9-18(36(4,34)35)13(11-32)8-15(16)28-21(30)19(31)12(2)3/h8-10,12,17,19,32-33H,5-7,11H2,1-4H3/t17?,19-/m1/s1
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72 -40.8n/an/an/an/an/an/a25



Vitae Pharmaceuticals, 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 US9073931 (2015)


BindingDB Entry DOI: 10.7270/Q26W98VC
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM168082
PNG
(US9073931, E8b | US9073931, E8c)
Show SMILES CC(C)[C@H]1N(CCn2c1nc1cc(CO)c(cc21)S(C)(=O)=O)c1ncc(C(C)O)c(n1)C(F)(F)F
Show InChI InChI=1S/C22H26F3N5O4S/c1-11(2)18-20-27-15-7-13(10-31)17(35(4,33)34)8-16(15)29(20)5-6-30(18)21-26-9-14(12(3)32)19(28-21)22(23,24)25/h7-9,11-12,18,31-32H,5-6,10H2,1-4H3/t12?,18-/m1/s1
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74 -40.7n/an/an/an/an/an/a25



Vitae Pharmaceuticals, 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 US9073931 (2015)


BindingDB Entry DOI: 10.7270/Q26W98VC
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM168117
PNG
(US9073931, E25a)
Show SMILES CC(C)[C@H]1N(CCn2c1nc1ccc(cc21)S(C)(=O)=O)c1ncc(CO)c(n1)C(F)(F)F
Show InChI InChI=1S/C20H22F3N5O3S/c1-11(2)16-18-25-14-5-4-13(32(3,30)31)8-15(14)27(18)6-7-28(16)19-24-9-12(10-29)17(26-19)20(21,22)23/h4-5,8-9,11,16,29H,6-7,10H2,1-3H3/t16-/m1/s1
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83 -40.4n/an/an/an/an/an/a25



Vitae Pharmaceuticals, 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 US9073931 (2015)


BindingDB Entry DOI: 10.7270/Q26W98VC
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM168108
PNG
(US9073931, E21)
Show SMILES CC(C)[C@H]1N(CCn2c1nc1cc(CO)c(cc21)S(C)(=O)=O)c1ncc(C)c(n1)C(F)(F)F
Show InChI InChI=1S/C21H24F3N5O3S/c1-11(2)17-19-26-14-7-13(10-30)16(33(4,31)32)8-15(14)28(19)5-6-29(17)20-25-9-12(3)18(27-20)21(22,23)24/h7-9,11,17,30H,5-6,10H2,1-4H3/t17-/m1/s1
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83 -40.4n/an/an/an/an/an/a25



Vitae Pharmaceuticals, 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 US9073931 (2015)


BindingDB Entry DOI: 10.7270/Q26W98VC
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM168088
PNG
(US9073931, E10b | US9073931, E10c)
Show SMILES CCC(O)c1cnc(nc1C(F)(F)F)N1CCn2c(nc3cc(CO)c(cc23)S(C)(=O)=O)[C@H]1C(C)C
Show InChI InChI=1S/C23H28F3N5O4S/c1-5-17(33)14-10-27-22(29-20(14)23(24,25)26)31-7-6-30-16-9-18(36(4,34)35)13(11-32)8-15(16)28-21(30)19(31)12(2)3/h8-10,12,17,19,32-33H,5-7,11H2,1-4H3/t17?,19-/m1/s1
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106 -39.8n/an/an/an/an/an/a25



Vitae Pharmaceuticals, 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 US9073931 (2015)


BindingDB Entry DOI: 10.7270/Q26W98VC
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM168106
PNG
(US9073931, E20a)
Show SMILES CC(C)[C@H]1N(CCn2c1nc1cc(CO)c(cc21)S(C)(=O)=O)c1ncc(CO)c(n1)C1CC1
Show InChI InChI=1S/C23H29N5O4S/c1-13(2)21-22-25-17-8-15(11-29)19(33(3,31)32)9-18(17)27(22)6-7-28(21)23-24-10-16(12-30)20(26-23)14-4-5-14/h8-10,13-14,21,29-30H,4-7,11-12H2,1-3H3/t21-/m1/s1
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110 -39.7n/an/an/an/an/an/a25



Vitae Pharmaceuticals, 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 US9073931 (2015)


BindingDB Entry DOI: 10.7270/Q26W98VC
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM168125
PNG
(US9073931, E30)
Show SMILES COC(=O)c1cnc(nc1C(F)(F)F)N1CCn2c(nc3cc(CO)c(cc23)S(C)(=O)=O)[C@H]1C(C)C
Show InChI InChI=1S/C22H24F3N5O5S/c1-11(2)17-19-27-14-7-12(10-31)16(36(4,33)34)8-15(14)29(19)5-6-30(17)21-26-9-13(20(32)35-3)18(28-21)22(23,24)25/h7-9,11,17,31H,5-6,10H2,1-4H3/t17-/m1/s1
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129 -39.3n/an/an/an/an/an/a25



Vitae Pharmaceuticals, 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 US9073931 (2015)


BindingDB Entry DOI: 10.7270/Q26W98VC
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM168085
PNG
(US9073931, E9a)
Show SMILES CCC(=O)c1cnc(nc1C(F)(F)F)N1CCn2c(nc3cc(CO)c(cc23)S(C)(=O)=O)[C@H]1C(C)C
Show InChI InChI=1S/C23H26F3N5O4S/c1-5-17(33)14-10-27-22(29-20(14)23(24,25)26)31-7-6-30-16-9-18(36(4,34)35)13(11-32)8-15(16)28-21(30)19(31)12(2)3/h8-10,12,19,32H,5-7,11H2,1-4H3/t19-/m1/s1
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US Patent
136 -39.2n/an/an/an/an/an/a25



Vitae Pharmaceuticals, 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 US9073931 (2015)


BindingDB Entry DOI: 10.7270/Q26W98VC
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM168075
PNG
(US9073931, E4)
Show SMILES CC(C)C1N(CCn2c1nc1ccc(cc21)S(C)(=O)=O)c1ncc(CO)c(n1)C(F)(F)F
Show InChI InChI=1S/C20H22F3N5O3S/c1-11(2)16-18-25-14-5-4-13(32(3,30)31)8-15(14)27(18)6-7-28(16)19-24-9-12(10-29)17(26-19)20(21,22)23/h4-5,8-9,11,16,29H,6-7,10H2,1-3H3
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137 -39.2n/an/an/an/an/an/a25



Vitae Pharmaceuticals, 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 US9073931 (2015)


BindingDB Entry DOI: 10.7270/Q26W98VC
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM168109
PNG
(US9073931, E22a)
Show SMILES CC(C)[C@H]1N(CCn2c1nc1ccc(cc21)S(C)(=O)=O)c1ncc(C(C)=O)c(n1)C(F)(F)F
Show InChI InChI=1S/C21H22F3N5O3S/c1-11(2)17-19-26-15-6-5-13(33(4,31)32)9-16(15)28(19)7-8-29(17)20-25-10-14(12(3)30)18(27-20)21(22,23)24/h5-6,9-11,17H,7-8H2,1-4H3/t17-/m1/s1
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149 -39.0n/an/an/an/an/an/a25



Vitae Pharmaceuticals, 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 US9073931 (2015)


BindingDB Entry DOI: 10.7270/Q26W98VC
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM168091
PNG
(US9073931, E11a | US9073931, E11b)
Show SMILES CCCC(O)c1cnc(nc1C(F)(F)F)N1CCn2c(nc3cc(CO)c(cc23)S(C)(=O)=O)[C@H]1C(C)C
Show InChI InChI=1S/C24H30F3N5O4S/c1-5-6-18(34)15-11-28-23(30-21(15)24(25,26)27)32-8-7-31-17-10-19(37(4,35)36)14(12-33)9-16(17)29-22(31)20(32)13(2)3/h9-11,13,18,20,33-34H,5-8,12H2,1-4H3/t18?,20-/m1/s1
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160 -38.8n/an/an/an/an/an/a25



Vitae Pharmaceuticals, 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 US9073931 (2015)


BindingDB Entry DOI: 10.7270/Q26W98VC
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM168073
PNG
(US9073931, E2)
Show SMILES CC(C)C1N(CCn2c1nc1ccc(cc21)S(C)(=O)=O)c1ncc(c(n1)C(F)(F)F)C(C)(C)O
Show InChI InChI=1S/C22H26F3N5O3S/c1-12(2)17-19-27-15-7-6-13(34(5,32)33)10-16(15)29(19)8-9-30(17)20-26-11-14(21(3,4)31)18(28-20)22(23,24)25/h6-7,10-12,17,31H,8-9H2,1-5H3
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176 -38.6n/an/an/an/an/an/a25



Vitae Pharmaceuticals, 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 US9073931 (2015)


BindingDB Entry DOI: 10.7270/Q26W98VC
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM168072
PNG
(US9073931, E1)
Show SMILES CC(C)C1N(CCn2c1nc1ccc(cc21)S(C)(=O)=O)c1ncc(C(C)=O)c(n1)C(F)(F)F
Show InChI InChI=1S/C21H22F3N5O3S/c1-11(2)17-19-26-15-6-5-13(33(4,31)32)9-16(15)28(19)7-8-29(17)20-25-10-14(12(3)30)18(27-20)21(22,23)24/h5-6,9-11,17H,7-8H2,1-4H3
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191 -38.3n/an/an/an/an/an/a25



Vitae Pharmaceuticals, 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 US9073931 (2015)


BindingDB Entry DOI: 10.7270/Q26W98VC
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM168113
PNG
(US9073931, E24a | US9073931, E24b)
Show SMILES CC(C)[C@H]1N(CCn2c1nc1ccc(cc21)S(C)(=O)=O)c1ncc(C(C)O)c(n1)C(F)(F)F
Show InChI InChI=1S/C21H24F3N5O3S/c1-11(2)17-19-26-15-6-5-13(33(4,31)32)9-16(15)28(19)7-8-29(17)20-25-10-14(12(3)30)18(27-20)21(22,23)24/h5-6,9-12,17,30H,7-8H2,1-4H3/t12?,17-/m1/s1
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198 -38.3n/an/an/an/an/an/a25



Vitae Pharmaceuticals, 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 US9073931 (2015)


BindingDB Entry DOI: 10.7270/Q26W98VC
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM168102
PNG
(US9073931, E17a)
Show SMILES CC(C)[C@H]1N(CCn2c1nc1cc(CO)c(cc21)S(C)(=O)=O)c1ncc(C(=O)N(C)C)c(n1)C(F)(F)F
Show InChI InChI=1S/C23H27F3N6O4S/c1-12(2)18-20-28-15-8-13(11-33)17(37(5,35)36)9-16(15)31(20)6-7-32(18)22-27-10-14(21(34)30(3)4)19(29-22)23(24,25)26/h8-10,12,18,33H,6-7,11H2,1-5H3/t18-/m1/s1
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220 -38.0n/an/an/an/an/an/a25



Vitae Pharmaceuticals, 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 US9073931 (2015)


BindingDB Entry DOI: 10.7270/Q26W98VC
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM168091
PNG
(US9073931, E11a | US9073931, E11b)
Show SMILES CCCC(O)c1cnc(nc1C(F)(F)F)N1CCn2c(nc3cc(CO)c(cc23)S(C)(=O)=O)[C@H]1C(C)C
Show InChI InChI=1S/C24H30F3N5O4S/c1-5-6-18(34)15-11-28-23(30-21(15)24(25,26)27)32-8-7-31-17-10-19(37(4,35)36)14(12-33)9-16(17)29-22(31)20(32)13(2)3/h9-11,13,18,20,33-34H,5-8,12H2,1-4H3/t18?,20-/m1/s1
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US Patent
236 -37.8n/an/an/an/an/an/a25



Vitae Pharmaceuticals, 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 US9073931 (2015)


BindingDB Entry DOI: 10.7270/Q26W98VC
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM168111
PNG
(US9073931, E23a)
Show SMILES CC(C)[C@H]1N(CCn2c1nc1ccc(cc21)S(C)(=O)=O)c1ncc(c(n1)C(F)(F)F)C(C)(C)O
Show InChI InChI=1S/C22H26F3N5O3S/c1-12(2)17-19-27-15-7-6-13(34(5,32)33)10-16(15)29(19)8-9-30(17)20-26-11-14(21(3,4)31)18(28-20)22(23,24)25/h6-7,10-12,17,31H,8-9H2,1-5H3/t17-/m1/s1
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237 -37.8n/an/an/an/an/an/a25



Vitae Pharmaceuticals, 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 US9073931 (2015)


BindingDB Entry DOI: 10.7270/Q26W98VC
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM168098
PNG
(US9073931, E15a | US9073931, E29a)
Show SMILES CC(C)[C@H]1N(CCn2c1nc1cc(CO)c(cc21)S(C)(=O)=O)c1ncc(C(N)=O)c(n1)C(F)(F)F
Show InChI InChI=1S/C21H23F3N6O4S/c1-10(2)16-19-27-13-6-11(9-31)15(35(3,33)34)7-14(13)29(19)4-5-30(16)20-26-8-12(18(25)32)17(28-20)21(22,23)24/h6-8,10,16,31H,4-5,9H2,1-3H3,(H2,25,32)/t16-/m1/s1
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240 -37.8n/an/an/an/an/an/a25



Vitae Pharmaceuticals, 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 US9073931 (2015)


BindingDB Entry DOI: 10.7270/Q26W98VC
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM168079
PNG
(US9073931, E27a | US9073931, E7a)
Show SMILES CC(C)[C@H]1N(CCn2c1nc1cc(CO)c(cc21)S(C)(=O)=O)c1ncc(c(n1)C(F)(F)F)C(C)(C)O
Show InChI InChI=1S/C23H28F3N5O4S/c1-12(2)18-20-28-15-8-13(11-32)17(36(5,34)35)9-16(15)30(20)6-7-31(18)21-27-10-14(22(3,4)33)19(29-21)23(24,25)26/h8-10,12,18,32-33H,6-7,11H2,1-5H3/t18-/m1/s1
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253 -37.7n/an/an/an/an/an/a25



Vitae Pharmaceuticals, 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 US9073931 (2015)


BindingDB Entry DOI: 10.7270/Q26W98VC
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM168077
PNG
(US9073931, E6a)
Show SMILES CC(C)[C@H]1N(CCn2c1nc1cc(CO)c(cc21)S(C)(=O)=O)c1ncc(C(C)=O)c(n1)C(F)(F)F
Show InChI InChI=1S/C22H24F3N5O4S/c1-11(2)18-20-27-15-7-13(10-31)17(35(4,33)34)8-16(15)29(20)5-6-30(18)21-26-9-14(12(3)32)19(28-21)22(23,24)25/h7-9,11,18,31H,5-6,10H2,1-4H3/t18-/m1/s1
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US Patent
277 -37.4n/an/an/an/an/an/a25



Vitae Pharmaceuticals, 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 US9073931 (2015)


BindingDB Entry DOI: 10.7270/Q26W98VC
More data for this
Ligand-Target Pair
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