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11 similar compounds to monomer 50167697

Wt: 421.6
BDBM50172185
Wt: 407.5
BDBM50172188
Wt: 409.6
BDBM50172190
Wt: 435.6
BDBM50172192
Wt: 377.5
BDBM50172193
Wt: 395.5
BDBM50172197
Wt: 407.5
BDBM50172200
Wt: 367.5
BDBM50172202
Wt: 445.6
BDBM50172204
Wt: 435.6
BDBM50172206
Wt: 285.3
BDBM50334790

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 47 hits for monomerid = 50172185,50172188,50172190,50172192,50172193,50172197,50172200,50172202,50172204,50172206,50334790   
Target
(Institution)
LigandTarget
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
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM50172192
PNG
((Dodecahydro-carbazol-9-yl)-((1S,4aS,10aR)-6-hydro...)
Show SMILES C[C@@]1(CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21)C(=O)N1C2CCCCC2C2CCCCC12
Show InChI InChI=1S/C29H41NO2/c1-28-16-7-17-29(2,26(28)15-13-19-12-14-20(31)18-23(19)28)27(32)30-24-10-5-3-8-21(24)22-9-4-6-11-25(22)30/h12,14,18,21-22,24-26,31H,3-11,13,15-17H2,1-2H3/t21?,22?,24?,25?,26-,28-,29+/m1/s1
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n/an/an/an/a 320n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration in transactivation assay using a chimeric LXR construct in HEK293 cells for LXRalpha receptor


Bioorg Med Chem Lett 15: 4574-8 (2005)

More data for this
Ligand-Target Pair
Liver X receptor beta (LXRB)


(Homo sapiens (Human))
BDBM50172185
PNG
((1S,4aS,10aR)-6-Hydroxy-1,4a-dimethyl-1,2,3,4,4a,9...)
Show SMILES C[C@@]1(CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21)C(=O)NCC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C28H39NO2/c1-26-8-3-9-27(2,24(26)7-5-21-4-6-22(30)13-23(21)26)25(31)29-17-28-14-18-10-19(15-28)12-20(11-18)16-28/h4,6,13,18-20,24,30H,3,5,7-12,14-17H2,1-2H3,(H,29,31)/t18?,19?,20?,24-,26-,27+,28?/m1/s1
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n/an/a 190n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration in LXRSPA beta binding assay


Bioorg Med Chem Lett 15: 4574-8 (2005)

More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM50172193
PNG
((4S,4aR)-6-Hydroxy-4a-methyl-1-(S)-methyl-1,2,3,4,...)
Show SMILES C[C@@]1(CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C25H31NO2/c1-24-14-6-15-25(2,23(28)26-16-13-18-7-4-3-5-8-18)22(24)12-10-19-9-11-20(27)17-21(19)24/h3-5,7-9,11,17,22,27H,6,10,12-16H2,1-2H3,(H,26,28)/t22-,24-,25+/m1/s1
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n/an/an/an/a 5.20E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration in transactivation assay using a chimeric LXR construct in HEK293 cells for LXRalpha receptor


Bioorg Med Chem Lett 15: 4574-8 (2005)

More data for this
Ligand-Target Pair
Liver X receptor beta (LXRB)


(Homo sapiens (Human))
BDBM50172204
PNG
((1S,4aS,10aR)-6-Hydroxy-1,4a-dimethyl-1,2,3,4,4a,9...)
Show SMILES C[C@@]1(CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21)C(=O)NCC1(CCCCC1)c1ccccc1
Show InChI InChI=1S/C30H39NO2/c1-28-16-9-17-29(2,26(28)15-13-22-12-14-24(32)20-25(22)28)27(33)31-21-30(18-7-4-8-19-30)23-10-5-3-6-11-23/h3,5-6,10-12,14,20,26,32H,4,7-9,13,15-19,21H2,1-2H3,(H,31,33)/t26-,28-,29+/m1/s1
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n/an/an/an/a>5.00E+4n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration in recombinant human LXRbeta ligand binding domain in homogeneous time-resolved fluorescence assay


Bioorg Med Chem Lett 15: 4574-8 (2005)

More data for this
Ligand-Target Pair
Liver X receptor beta (LXRB)


(Homo sapiens (Human))
BDBM50172190
PNG
((4S,4aR)-6-Hydroxy-4a-methyl-1-(S)-methyl-1,2,3,4,...)
Show SMILES C[C@@H]1[C@H]2C[C@@H](C[C@H]1NC(=O)[C@@]1(C)CCC[C@@]3(C)[C@H]1CCc1ccc(O)cc31)C2(C)C
Show InChI InChI=1S/C27H39NO2/c1-16-20-13-18(25(20,2)3)14-22(16)28-24(30)27(5)12-6-11-26(4)21-15-19(29)9-7-17(21)8-10-23(26)27/h7,9,15-16,18,20,22-23,29H,6,8,10-14H2,1-5H3,(H,28,30)/t16-,18+,20-,22-,23-,26-,27+/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration in recombinant human LXRbeta ligand binding domain in homogeneous time-resolved fluorescence assay


Bioorg Med Chem Lett 15: 4574-8 (2005)

More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM50172190
PNG
((4S,4aR)-6-Hydroxy-4a-methyl-1-(S)-methyl-1,2,3,4,...)
Show SMILES C[C@@H]1[C@H]2C[C@@H](C[C@H]1NC(=O)[C@@]1(C)CCC[C@@]3(C)[C@H]1CCc1ccc(O)cc31)C2(C)C
Show InChI InChI=1S/C27H39NO2/c1-16-20-13-18(25(20,2)3)14-22(16)28-24(30)27(5)12-6-11-26(4)21-15-19(29)9-7-17(21)8-10-23(26)27/h7,9,15-16,18,20,22-23,29H,6,8,10-14H2,1-5H3,(H,28,30)/t16-,18+,20-,22-,23-,26-,27+/m1/s1
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n/an/an/an/a 1.70E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration in transactivation assay using a chimeric LXR construct in HEK-293 cells for LXRalpha receptor


Bioorg Med Chem Lett 15: 4574-8 (2005)

More data for this
Ligand-Target Pair
Liver X receptor beta (LXRB)


(Homo sapiens (Human))
BDBM50172200
PNG
((4S,4aR)-6-Hydroxy-4a-methyl-1-(S)-methyl-1,2,3,4,...)
Show SMILES C[C@@]1(CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21)C(=O)NC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C27H37NO2/c1-25-8-3-9-26(2,23(25)7-5-20-4-6-21(29)13-22(20)25)24(30)28-27-14-17-10-18(15-27)12-19(11-17)16-27/h4,6,13,17-19,23,29H,3,5,7-12,14-16H2,1-2H3,(H,28,30)/t17?,18?,19?,23-,25-,26+,27?/m1/s1
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n/an/an/an/a 220n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration in recombinant human LXRbeta ligand binding domain in homogeneous time-resolved fluorescence assay


Bioorg Med Chem Lett 15: 4574-8 (2005)

More data for this
Ligand-Target Pair
Liver X receptor beta (LXRB)


(Homo sapiens (Human))
BDBM50172206
PNG
((4S,4aR)-6-Hydroxy-4a-methyl-1-(S)-methyl-1,2,3,4,...)
Show SMILES CC(NC(=O)[C@@]1(C)CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C29H41NO2/c1-18(29-15-19-11-20(16-29)13-21(12-19)17-29)30-26(32)28(3)10-4-9-27(2)24-14-23(31)7-5-22(24)6-8-25(27)28/h5,7,14,18-21,25,31H,4,6,8-13,15-17H2,1-3H3,(H,30,32)/t18?,19?,20?,21?,25-,27-,28+,29?/m1/s1
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n/an/a 180n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration in LXRSPA beta binding assay


Bioorg Med Chem Lett 15: 4574-8 (2005)

More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM50172204
PNG
((1S,4aS,10aR)-6-Hydroxy-1,4a-dimethyl-1,2,3,4,4a,9...)
Show SMILES C[C@@]1(CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21)C(=O)NCC1(CCCCC1)c1ccccc1
Show InChI InChI=1S/C30H39NO2/c1-28-16-9-17-29(2,26(28)15-13-22-12-14-24(32)20-25(22)28)27(33)31-21-30(18-7-4-8-19-30)23-10-5-3-6-11-23/h3,5-6,10-12,14,20,26,32H,4,7-9,13,15-19,21H2,1-2H3,(H,31,33)/t26-,28-,29+/m1/s1
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n/an/a 50n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration in LXRSPA alpha binding assay


Bioorg Med Chem Lett 15: 4574-8 (2005)

More data for this
Ligand-Target Pair
Liver X receptor beta (LXRB)


(Homo sapiens (Human))
BDBM50172188
PNG
((4S,4aR)-6-Hydroxy-4a-methyl-1-(S)-methyl-1,2,3,4,...)
Show SMILES C[C@@]1(CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21)C(=O)NC1C2CC3CC(C2)CC1C3
Show InChI InChI=1S/C27H37NO2/c1-26-8-3-9-27(2,23(26)7-5-18-4-6-21(29)15-22(18)26)25(30)28-24-19-11-16-10-17(13-19)14-20(24)12-16/h4,6,15-17,19-20,23-24,29H,3,5,7-14H2,1-2H3,(H,28,30)/t16?,17?,19?,20?,23-,24?,26-,27+/m1/s1
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n/an/an/an/a 3.80E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration in transactivation assay using a chimeric LXR construct in HEK-293 cells for LXRbeta receptor


Bioorg Med Chem Lett 15: 4574-8 (2005)

More data for this
Ligand-Target Pair
Liver X receptor beta (LXRB)


(Homo sapiens (Human))
BDBM50172188
PNG
((4S,4aR)-6-Hydroxy-4a-methyl-1-(S)-methyl-1,2,3,4,...)
Show SMILES C[C@@]1(CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21)C(=O)NC1C2CC3CC(C2)CC1C3
Show InChI InChI=1S/C27H37NO2/c1-26-8-3-9-27(2,23(26)7-5-18-4-6-21(29)15-22(18)26)25(30)28-24-19-11-16-10-17(13-19)14-20(24)12-16/h4,6,15-17,19-20,23-24,29H,3,5,7-14H2,1-2H3,(H,28,30)/t16?,17?,19?,20?,23-,24?,26-,27+/m1/s1
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n/an/an/an/a>5.00E+4n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration in recombinant human LXRbeta ligand binding domain in homogeneous time-resolved fluorescence assay


Bioorg Med Chem Lett 15: 4574-8 (2005)

More data for this
Ligand-Target Pair
Liver X receptor beta (LXRB)


(Homo sapiens (Human))
BDBM50172197
PNG
((4S,4aR)-6-Hydroxy-4a-methyl-1-(S)-methyl-1,2,3,4,...)
Show SMILES CC1(C)C2CC1C(CC2)NC(=O)[C@@]1(C)CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21
Show InChI InChI=1S/C26H37NO2/c1-24(2)17-8-10-21(20(24)14-17)27-23(29)26(4)13-5-12-25(3)19-15-18(28)9-6-16(19)7-11-22(25)26/h6,9,15,17,20-22,28H,5,7-8,10-14H2,1-4H3,(H,27,29)/t17?,20?,21?,22-,25-,26+/m1/s1
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n/an/a 310n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration in LXRSPA beta binding assay


Bioorg Med Chem Lett 15: 4574-8 (2005)

More data for this
Ligand-Target Pair
Liver X receptor beta (LXRB)


(Homo sapiens (Human))
BDBM50172190
PNG
((4S,4aR)-6-Hydroxy-4a-methyl-1-(S)-methyl-1,2,3,4,...)
Show SMILES C[C@@H]1[C@H]2C[C@@H](C[C@H]1NC(=O)[C@@]1(C)CCC[C@@]3(C)[C@H]1CCc1ccc(O)cc31)C2(C)C
Show InChI InChI=1S/C27H39NO2/c1-16-20-13-18(25(20,2)3)14-22(16)28-24(30)27(5)12-6-11-26(4)21-15-19(29)9-7-17(21)8-10-23(26)27/h7,9,15-16,18,20,22-23,29H,6,8,10-14H2,1-5H3,(H,28,30)/t16-,18+,20-,22-,23-,26-,27+/m1/s1
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n/an/a 200n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration in LXRSPA beta binding assay


Bioorg Med Chem Lett 15: 4574-8 (2005)

More data for this
Ligand-Target Pair
Liver X receptor beta (LXRB)


(Homo sapiens (Human))
BDBM50172200
PNG
((4S,4aR)-6-Hydroxy-4a-methyl-1-(S)-methyl-1,2,3,4,...)
Show SMILES C[C@@]1(CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21)C(=O)NC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C27H37NO2/c1-25-8-3-9-26(2,23(25)7-5-20-4-6-21(29)13-22(20)25)24(30)28-27-14-17-10-18(15-27)12-19(11-17)16-27/h4,6,13,17-19,23,29H,3,5,7-12,14-16H2,1-2H3,(H,28,30)/t17?,18?,19?,23-,25-,26+,27?/m1/s1
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n/an/a 170n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration in LXRSPA beta binding assay


Bioorg Med Chem Lett 15: 4574-8 (2005)

More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM50172206
PNG
((4S,4aR)-6-Hydroxy-4a-methyl-1-(S)-methyl-1,2,3,4,...)
Show SMILES CC(NC(=O)[C@@]1(C)CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C29H41NO2/c1-18(29-15-19-11-20(16-29)13-21(12-19)17-29)30-26(32)28(3)10-4-9-27(2)24-14-23(31)7-5-22(24)6-8-25(27)28/h5,7,14,18-21,25,31H,4,6,8-13,15-17H2,1-3H3,(H,30,32)/t18?,19?,20?,21?,25-,27-,28+,29?/m1/s1
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n/an/a 90n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration in LXRSPA alpha binding assay


Bioorg Med Chem Lett 15: 4574-8 (2005)

More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM50172197
PNG
((4S,4aR)-6-Hydroxy-4a-methyl-1-(S)-methyl-1,2,3,4,...)
Show SMILES CC1(C)C2CC1C(CC2)NC(=O)[C@@]1(C)CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21
Show InChI InChI=1S/C26H37NO2/c1-24(2)17-8-10-21(20(24)14-17)27-23(29)26(4)13-5-12-25(3)19-15-18(28)9-6-16(19)7-11-22(25)26/h6,9,15,17,20-22,28H,5,7-8,10-14H2,1-4H3,(H,27,29)/t17?,20?,21?,22-,25-,26+/m1/s1
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n/an/a 350n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration in LXRSPA alpha binding assay


Bioorg Med Chem Lett 15: 4574-8 (2005)

More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM50172188
PNG
((4S,4aR)-6-Hydroxy-4a-methyl-1-(S)-methyl-1,2,3,4,...)
Show SMILES C[C@@]1(CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21)C(=O)NC1C2CC3CC(C2)CC1C3
Show InChI InChI=1S/C27H37NO2/c1-26-8-3-9-27(2,23(26)7-5-18-4-6-21(29)15-22(18)26)25(30)28-24-19-11-16-10-17(13-19)14-20(24)12-16/h4,6,15-17,19-20,23-24,29H,3,5,7-14H2,1-2H3,(H,28,30)/t16?,17?,19?,20?,23-,24?,26-,27+/m1/s1
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n/an/an/an/a 320n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration in transactivation assay using a chimeric LXR construct in HEK293 cells for LXRalpha receptor


Bioorg Med Chem Lett 15: 4574-8 (2005)

More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM50172185
PNG
((1S,4aS,10aR)-6-Hydroxy-1,4a-dimethyl-1,2,3,4,4a,9...)
Show SMILES C[C@@]1(CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21)C(=O)NCC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C28H39NO2/c1-26-8-3-9-27(2,24(26)7-5-21-4-6-22(30)13-23(21)26)25(31)29-17-28-14-18-10-19(15-28)12-20(11-18)16-28/h4,6,13,18-20,24,30H,3,5,7-12,14-17H2,1-2H3,(H,29,31)/t18?,19?,20?,24-,26-,27+,28?/m1/s1
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n/an/an/an/a 230n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration in transactivation assay using a chimeric LXR construct in HEK293 cells for LXRalpha receptor


Bioorg Med Chem Lett 15: 4574-8 (2005)

More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM50172190
PNG
((4S,4aR)-6-Hydroxy-4a-methyl-1-(S)-methyl-1,2,3,4,...)
Show SMILES C[C@@H]1[C@H]2C[C@@H](C[C@H]1NC(=O)[C@@]1(C)CCC[C@@]3(C)[C@H]1CCc1ccc(O)cc31)C2(C)C
Show InChI InChI=1S/C27H39NO2/c1-16-20-13-18(25(20,2)3)14-22(16)28-24(30)27(5)12-6-11-26(4)21-15-19(29)9-7-17(21)8-10-23(26)27/h7,9,15-16,18,20,22-23,29H,6,8,10-14H2,1-5H3,(H,28,30)/t16-,18+,20-,22-,23-,26-,27+/m1/s1
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n/an/an/an/a 280n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration in transactivation assay using a chimeric LXR construct in HEK293 cells for LXRalpha receptor


Bioorg Med Chem Lett 15: 4574-8 (2005)

More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM50172202
PNG
((4S,4aR)-6-Hydroxy-4a-methyl-1-(S)-methyl-1,2,3,4,...)
Show SMILES C[C@@]1(CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21)C(=O)NC1CC2CCC1C2
Show InChI InChI=1S/C24H33NO2/c1-23-10-3-11-24(2,22(27)25-20-13-15-4-5-17(20)12-15)21(23)9-7-16-6-8-18(26)14-19(16)23/h6,8,14-15,17,20-21,26H,3-5,7,9-13H2,1-2H3,(H,25,27)/t15?,17?,20?,21-,23-,24+/m1/s1
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n/an/an/an/a 3.10E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration in transactivation assay using a chimeric LXR construct in HEK293 cells for LXRalpha receptor


Bioorg Med Chem Lett 15: 4574-8 (2005)

More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM50172200
PNG
((4S,4aR)-6-Hydroxy-4a-methyl-1-(S)-methyl-1,2,3,4,...)
Show SMILES C[C@@]1(CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21)C(=O)NC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C27H37NO2/c1-25-8-3-9-26(2,23(25)7-5-20-4-6-21(29)13-22(20)25)24(30)28-27-14-17-10-18(15-27)12-19(11-17)16-27/h4,6,13,17-19,23,29H,3,5,7-12,14-16H2,1-2H3,(H,28,30)/t17?,18?,19?,23-,25-,26+,27?/m1/s1
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n/an/an/an/a 220n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration in transactivation assay using a chimeric LXR construct in HEK293 cells for LXRalpha receptor


Bioorg Med Chem Lett 15: 4574-8 (2005)

More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM50172197
PNG
((4S,4aR)-6-Hydroxy-4a-methyl-1-(S)-methyl-1,2,3,4,...)
Show SMILES CC1(C)C2CC1C(CC2)NC(=O)[C@@]1(C)CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21
Show InChI InChI=1S/C26H37NO2/c1-24(2)17-8-10-21(20(24)14-17)27-23(29)26(4)13-5-12-25(3)19-15-18(28)9-6-16(19)7-11-22(25)26/h6,9,15,17,20-22,28H,5,7-8,10-14H2,1-4H3,(H,27,29)/t17?,20?,21?,22-,25-,26+/m1/s1
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n/an/an/an/a 240n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration in transactivation assay using a chimeric LXR construct in HEK293 cells for LXRalpha receptor


Bioorg Med Chem Lett 15: 4574-8 (2005)

More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM50172206
PNG
((4S,4aR)-6-Hydroxy-4a-methyl-1-(S)-methyl-1,2,3,4,...)
Show SMILES CC(NC(=O)[C@@]1(C)CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C29H41NO2/c1-18(29-15-19-11-20(16-29)13-21(12-19)17-29)30-26(32)28(3)10-4-9-27(2)24-14-23(31)7-5-22(24)6-8-25(27)28/h5,7,14,18-21,25,31H,4,6,8-13,15-17H2,1-3H3,(H,30,32)/t18?,19?,20?,21?,25-,27-,28+,29?/m1/s1
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n/an/an/an/a 140n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration in transactivation assay using a chimeric LXR construct in HEK293 cells for LXRalpha receptor


Bioorg Med Chem Lett 15: 4574-8 (2005)

More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM50172204
PNG
((1S,4aS,10aR)-6-Hydroxy-1,4a-dimethyl-1,2,3,4,4a,9...)
Show SMILES C[C@@]1(CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21)C(=O)NCC1(CCCCC1)c1ccccc1
Show InChI InChI=1S/C30H39NO2/c1-28-16-9-17-29(2,26(28)15-13-22-12-14-24(32)20-25(22)28)27(33)31-21-30(18-7-4-8-19-30)23-10-5-3-6-11-23/h3,5-6,10-12,14,20,26,32H,4,7-9,13,15-19,21H2,1-2H3,(H,31,33)/t26-,28-,29+/m1/s1
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n/an/an/an/a 50n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration in transactivation assay using a chimeric LXR construct in HEK293 cells for LXRalpha receptor


Bioorg Med Chem Lett 15: 4574-8 (2005)

More data for this
Ligand-Target Pair
Liver X receptor beta (LXRB)


(Homo sapiens (Human))
BDBM50172185
PNG
((1S,4aS,10aR)-6-Hydroxy-1,4a-dimethyl-1,2,3,4,4a,9...)
Show SMILES C[C@@]1(CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21)C(=O)NCC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C28H39NO2/c1-26-8-3-9-27(2,24(26)7-5-21-4-6-22(30)13-23(21)26)25(31)29-17-28-14-18-10-19(15-28)12-20(11-18)16-28/h4,6,13,18-20,24,30H,3,5,7-12,14-17H2,1-2H3,(H,29,31)/t18?,19?,20?,24-,26-,27+,28?/m1/s1
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n/an/an/an/a>5.00E+4n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant LXRbeta expressed in Escherichia coli BL21 cells assessed as association of recombinant SRC1 to LXRbeta ligand ...


J Nat Prod 68: 1247-52 (2005)

More data for this
Ligand-Target Pair
Steroid 5-alpha-reductase


(Homo sapiens (Human))
BDBM50334790
PNG
((4aS,4bR,10bS,12aS)-8-hydroxy-12a-methyl-3,4,4a,4b...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CCC(=O)N2
Show InChI InChI=1S/C18H23NO2/c1-18-9-8-14-13-5-3-12(20)10-11(13)2-4-15(14)16(18)6-7-17(21)19-18/h3,5,10,14-16,20H,2,4,6-9H2,1H3,(H,19,21)/t14-,15-,16+,18+/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



College of Chemical and Environmental Engineering

Curated by ChEMBL


Assay Description
Inhibition of human prostate 5alpha-reductase type 2 assessed as formation dihydrotestosterone from [4-14C] testosterone


Bioorg Med Chem Lett 21: 475-8 (2010)

More data for this
Ligand-Target Pair
Liver X receptor beta (LXRB)


(Homo sapiens (Human))
BDBM50172204
PNG
((1S,4aS,10aR)-6-Hydroxy-1,4a-dimethyl-1,2,3,4,4a,9...)
Show SMILES C[C@@]1(CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21)C(=O)NCC1(CCCCC1)c1ccccc1
Show InChI InChI=1S/C30H39NO2/c1-28-16-9-17-29(2,26(28)15-13-22-12-14-24(32)20-25(22)28)27(33)31-21-30(18-7-4-8-19-30)23-10-5-3-6-11-23/h3,5-6,10-12,14,20,26,32H,4,7-9,13,15-19,21H2,1-2H3,(H,31,33)/t26-,28-,29+/m1/s1
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n/an/a 20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration in LXRSPA beta binding assay


Bioorg Med Chem Lett 15: 4574-8 (2005)

More data for this
Ligand-Target Pair
Liver X receptor beta (LXRB)


(Homo sapiens (Human))
BDBM50172202
PNG
((4S,4aR)-6-Hydroxy-4a-methyl-1-(S)-methyl-1,2,3,4,...)
Show SMILES C[C@@]1(CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21)C(=O)NC1CC2CCC1C2
Show InChI InChI=1S/C24H33NO2/c1-23-10-3-11-24(2,22(27)25-20-13-15-4-5-17(20)12-15)21(23)9-7-16-6-8-18(26)14-19(16)23/h6,8,14-15,17,20-21,26H,3-5,7,9-13H2,1-2H3,(H,25,27)/t15?,17?,20?,21-,23-,24+/m1/s1
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n/an/an/an/a>5.00E+4n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration in recombinant human LXRbeta ligand binding domain in homogeneous time-resolved fluorescence assay


Bioorg Med Chem Lett 15: 4574-8 (2005)

More data for this
Ligand-Target Pair
Liver X receptor beta (LXRB)


(Homo sapiens (Human))
BDBM50172185
PNG
((1S,4aS,10aR)-6-Hydroxy-1,4a-dimethyl-1,2,3,4,4a,9...)
Show SMILES C[C@@]1(CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21)C(=O)NCC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C28H39NO2/c1-26-8-3-9-27(2,24(26)7-5-21-4-6-22(30)13-23(21)26)25(31)29-17-28-14-18-10-19(15-28)12-20(11-18)16-28/h4,6,13,18-20,24,30H,3,5,7-12,14-17H2,1-2H3,(H,29,31)/t18?,19?,20?,24-,26-,27+,28?/m1/s1
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n/an/an/an/a>5.00E+4n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration in recombinant human LXRbeta ligand binding domain in homogeneous time-resolved fluorescence assay


Bioorg Med Chem Lett 15: 4574-8 (2005)

More data for this
Ligand-Target Pair
Liver X receptor beta (LXRB)


(Homo sapiens (Human))
BDBM50172192
PNG
((Dodecahydro-carbazol-9-yl)-((1S,4aS,10aR)-6-hydro...)
Show SMILES C[C@@]1(CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21)C(=O)N1C2CCCCC2C2CCCCC12
Show InChI InChI=1S/C29H41NO2/c1-28-16-7-17-29(2,26(28)15-13-19-12-14-20(31)18-23(19)28)27(32)30-24-10-5-3-8-21(24)22-9-4-6-11-25(22)30/h12,14,18,21-22,24-26,31H,3-11,13,15-17H2,1-2H3/t21?,22?,24?,25?,26-,28-,29+/m1/s1
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n/an/an/an/a>5.00E+4n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration in recombinant human LXRbeta ligand binding domain in homogeneous time-resolved fluorescence assay


Bioorg Med Chem Lett 15: 4574-8 (2005)

More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM50172185
PNG
((1S,4aS,10aR)-6-Hydroxy-1,4a-dimethyl-1,2,3,4,4a,9...)
Show SMILES C[C@@]1(CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21)C(=O)NCC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C28H39NO2/c1-26-8-3-9-27(2,24(26)7-5-21-4-6-22(30)13-23(21)26)25(31)29-17-28-14-18-10-19(15-28)12-20(11-18)16-28/h4,6,13,18-20,24,30H,3,5,7-12,14-17H2,1-2H3,(H,29,31)/t18?,19?,20?,24-,26-,27+,28?/m1/s1
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n/an/an/an/a 860n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration in transactivation assay using a chimeric LXR construct in HEK-293 cells for LXRalpha receptor


Bioorg Med Chem Lett 15: 4574-8 (2005)

More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM50172190
PNG
((4S,4aR)-6-Hydroxy-4a-methyl-1-(S)-methyl-1,2,3,4,...)
Show SMILES C[C@@H]1[C@H]2C[C@@H](C[C@H]1NC(=O)[C@@]1(C)CCC[C@@]3(C)[C@H]1CCc1ccc(O)cc31)C2(C)C
Show InChI InChI=1S/C27H39NO2/c1-16-20-13-18(25(20,2)3)14-22(16)28-24(30)27(5)12-6-11-26(4)21-15-19(29)9-7-17(21)8-10-23(26)27/h7,9,15-16,18,20,22-23,29H,6,8,10-14H2,1-5H3,(H,28,30)/t16-,18+,20-,22-,23-,26-,27+/m1/s1
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n/an/a 270n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration in LXRSPA alpha binding assay


Bioorg Med Chem Lett 15: 4574-8 (2005)

More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM50172200
PNG
((4S,4aR)-6-Hydroxy-4a-methyl-1-(S)-methyl-1,2,3,4,...)
Show SMILES C[C@@]1(CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21)C(=O)NC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C27H37NO2/c1-25-8-3-9-26(2,23(25)7-5-20-4-6-21(29)13-22(20)25)24(30)28-27-14-17-10-18(15-27)12-19(11-17)16-27/h4,6,13,17-19,23,29H,3,5,7-12,14-16H2,1-2H3,(H,28,30)/t17?,18?,19?,23-,25-,26+,27?/m1/s1
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n/an/a 140n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration in LXRSPA alpha binding assay


Bioorg Med Chem Lett 15: 4574-8 (2005)

More data for this
Ligand-Target Pair
Liver X receptor beta (LXRB)


(Homo sapiens (Human))
BDBM50172188
PNG
((4S,4aR)-6-Hydroxy-4a-methyl-1-(S)-methyl-1,2,3,4,...)
Show SMILES C[C@@]1(CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21)C(=O)NC1C2CC3CC(C2)CC1C3
Show InChI InChI=1S/C27H37NO2/c1-26-8-3-9-27(2,23(26)7-5-18-4-6-21(29)15-22(18)26)25(30)28-24-19-11-16-10-17(13-19)14-20(24)12-16/h4,6,15-17,19-20,23-24,29H,3,5,7-14H2,1-2H3,(H,28,30)/t16?,17?,19?,20?,23-,24?,26-,27+/m1/s1
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n/an/a 100n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration in LXRSPA beta binding assay


Bioorg Med Chem Lett 15: 4574-8 (2005)

More data for this
Ligand-Target Pair
Liver X receptor beta (LXRB)


(Homo sapiens (Human))
BDBM50172193
PNG
((4S,4aR)-6-Hydroxy-4a-methyl-1-(S)-methyl-1,2,3,4,...)
Show SMILES C[C@@]1(CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C25H31NO2/c1-24-14-6-15-25(2,23(28)26-16-13-18-7-4-3-5-8-18)22(24)12-10-19-9-11-20(27)17-21(19)24/h3-5,7-9,11,17,22,27H,6,10,12-16H2,1-2H3,(H,26,28)/t22-,24-,25+/m1/s1
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n/an/an/an/a>5.00E+4n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration in recombinant human LXRbeta ligand binding domain in homogeneous time-resolved fluorescence assay


Bioorg Med Chem Lett 15: 4574-8 (2005)

More data for this
Ligand-Target Pair
Liver X receptor beta (LXRB)


(Homo sapiens (Human))
BDBM50172193
PNG
((4S,4aR)-6-Hydroxy-4a-methyl-1-(S)-methyl-1,2,3,4,...)
Show SMILES C[C@@]1(CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C25H31NO2/c1-24-14-6-15-25(2,23(28)26-16-13-18-7-4-3-5-8-18)22(24)12-10-19-9-11-20(27)17-21(19)24/h3-5,7-9,11,17,22,27H,6,10,12-16H2,1-2H3,(H,26,28)/t22-,24-,25+/m1/s1
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n/an/a 2.22E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration in LXRSPA beta binding assay


Bioorg Med Chem Lett 15: 4574-8 (2005)

More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM50172193
PNG
((4S,4aR)-6-Hydroxy-4a-methyl-1-(S)-methyl-1,2,3,4,...)
Show SMILES C[C@@]1(CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C25H31NO2/c1-24-14-6-15-25(2,23(28)26-16-13-18-7-4-3-5-8-18)22(24)12-10-19-9-11-20(27)17-21(19)24/h3-5,7-9,11,17,22,27H,6,10,12-16H2,1-2H3,(H,26,28)/t22-,24-,25+/m1/s1
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n/an/a 2.93E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration in LXRSPA alpha binding assay


Bioorg Med Chem Lett 15: 4574-8 (2005)

More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM50172188
PNG
((4S,4aR)-6-Hydroxy-4a-methyl-1-(S)-methyl-1,2,3,4,...)
Show SMILES C[C@@]1(CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21)C(=O)NC1C2CC3CC(C2)CC1C3
Show InChI InChI=1S/C27H37NO2/c1-26-8-3-9-27(2,23(26)7-5-18-4-6-21(29)15-22(18)26)25(30)28-24-19-11-16-10-17(13-19)14-20(24)12-16/h4,6,15-17,19-20,23-24,29H,3,5,7-14H2,1-2H3,(H,28,30)/t16?,17?,19?,20?,23-,24?,26-,27+/m1/s1
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n/an/an/an/a 900n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration in transactivation assay using a chimeric LXR construct in HEK-293 cells for LXRalpha receptor


Bioorg Med Chem Lett 15: 4574-8 (2005)

More data for this
Ligand-Target Pair
Liver X receptor beta (LXRB)


(Homo sapiens (Human))
BDBM50172197
PNG
((4S,4aR)-6-Hydroxy-4a-methyl-1-(S)-methyl-1,2,3,4,...)
Show SMILES CC1(C)C2CC1C(CC2)NC(=O)[C@@]1(C)CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21
Show InChI InChI=1S/C26H37NO2/c1-24(2)17-8-10-21(20(24)14-17)27-23(29)26(4)13-5-12-25(3)19-15-18(28)9-6-16(19)7-11-22(25)26/h6,9,15,17,20-22,28H,5,7-8,10-14H2,1-4H3,(H,27,29)/t17?,20?,21?,22-,25-,26+/m1/s1
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n/an/an/an/a>5.00E+4n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration in recombinant human LXRbeta ligand binding domain in homogeneous time-resolved fluorescence assay


Bioorg Med Chem Lett 15: 4574-8 (2005)

More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM50172202
PNG
((4S,4aR)-6-Hydroxy-4a-methyl-1-(S)-methyl-1,2,3,4,...)
Show SMILES C[C@@]1(CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21)C(=O)NC1CC2CCC1C2
Show InChI InChI=1S/C24H33NO2/c1-23-10-3-11-24(2,22(27)25-20-13-15-4-5-17(20)12-15)21(23)9-7-16-6-8-18(26)14-19(16)23/h6,8,14-15,17,20-21,26H,3-5,7,9-13H2,1-2H3,(H,25,27)/t15?,17?,20?,21-,23-,24+/m1/s1
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n/an/a 3.10E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration in LXRSPA alpha binding assay


Bioorg Med Chem Lett 15: 4574-8 (2005)

More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM50172185
PNG
((1S,4aS,10aR)-6-Hydroxy-1,4a-dimethyl-1,2,3,4,4a,9...)
Show SMILES C[C@@]1(CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21)C(=O)NCC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C28H39NO2/c1-26-8-3-9-27(2,24(26)7-5-21-4-6-22(30)13-23(21)26)25(31)29-17-28-14-18-10-19(15-28)12-20(11-18)16-28/h4,6,13,18-20,24,30H,3,5,7-12,14-17H2,1-2H3,(H,29,31)/t18?,19?,20?,24-,26-,27+,28?/m1/s1
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n/an/a 100n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration in LXRSPA alpha binding assay


Bioorg Med Chem Lett 15: 4574-8 (2005)

More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM50172192
PNG
((Dodecahydro-carbazol-9-yl)-((1S,4aS,10aR)-6-hydro...)
Show SMILES C[C@@]1(CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21)C(=O)N1C2CCCCC2C2CCCCC12
Show InChI InChI=1S/C29H41NO2/c1-28-16-7-17-29(2,26(28)15-13-19-12-14-20(31)18-23(19)28)27(32)30-24-10-5-3-8-21(24)22-9-4-6-11-25(22)30/h12,14,18,21-22,24-26,31H,3-11,13,15-17H2,1-2H3/t21?,22?,24?,25?,26-,28-,29+/m1/s1
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n/an/a 300n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration in LXRSPA alpha binding assay


Bioorg Med Chem Lett 15: 4574-8 (2005)

More data for this
Ligand-Target Pair
Liver X receptor beta (LXRB)


(Homo sapiens (Human))
BDBM50172206
PNG
((4S,4aR)-6-Hydroxy-4a-methyl-1-(S)-methyl-1,2,3,4,...)
Show SMILES CC(NC(=O)[C@@]1(C)CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C29H41NO2/c1-18(29-15-19-11-20(16-29)13-21(12-19)17-29)30-26(32)28(3)10-4-9-27(2)24-14-23(31)7-5-22(24)6-8-25(27)28/h5,7,14,18-21,25,31H,4,6,8-13,15-17H2,1-3H3,(H,30,32)/t18?,19?,20?,21?,25-,27-,28+,29?/m1/s1
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n/an/an/an/a>5.00E+4n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration in recombinant human LXRbeta ligand binding domain in homogeneous time-resolved fluorescence assay


Bioorg Med Chem Lett 15: 4574-8 (2005)

More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM50172188
PNG
((4S,4aR)-6-Hydroxy-4a-methyl-1-(S)-methyl-1,2,3,4,...)
Show SMILES C[C@@]1(CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21)C(=O)NC1C2CC3CC(C2)CC1C3
Show InChI InChI=1S/C27H37NO2/c1-26-8-3-9-27(2,23(26)7-5-18-4-6-21(29)15-22(18)26)25(30)28-24-19-11-16-10-17(13-19)14-20(24)12-16/h4,6,15-17,19-20,23-24,29H,3,5,7-14H2,1-2H3,(H,28,30)/t16?,17?,19?,20?,23-,24?,26-,27+/m1/s1
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n/an/a 130n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration in LXRSPA alpha binding assay


Bioorg Med Chem Lett 15: 4574-8 (2005)

More data for this
Ligand-Target Pair
Liver X receptor beta (LXRB)


(Homo sapiens (Human))
BDBM50172202
PNG
((4S,4aR)-6-Hydroxy-4a-methyl-1-(S)-methyl-1,2,3,4,...)
Show SMILES C[C@@]1(CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21)C(=O)NC1CC2CCC1C2
Show InChI InChI=1S/C24H33NO2/c1-23-10-3-11-24(2,22(27)25-20-13-15-4-5-17(20)12-15)21(23)9-7-16-6-8-18(26)14-19(16)23/h6,8,14-15,17,20-21,26H,3-5,7,9-13H2,1-2H3,(H,25,27)/t15?,17?,20?,21-,23-,24+/m1/s1
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n/an/a 4.12E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration in LXRSPA beta binding assay


Bioorg Med Chem Lett 15: 4574-8 (2005)

More data for this
Ligand-Target Pair
Liver X receptor beta (LXRB)


(Homo sapiens (Human))
BDBM50172192
PNG
((Dodecahydro-carbazol-9-yl)-((1S,4aS,10aR)-6-hydro...)
Show SMILES C[C@@]1(CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21)C(=O)N1C2CCCCC2C2CCCCC12
Show InChI InChI=1S/C29H41NO2/c1-28-16-7-17-29(2,26(28)15-13-19-12-14-20(31)18-23(19)28)27(32)30-24-10-5-3-8-21(24)22-9-4-6-11-25(22)30/h12,14,18,21-22,24-26,31H,3-11,13,15-17H2,1-2H3/t21?,22?,24?,25?,26-,28-,29+/m1/s1
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n/an/a 190n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration in LXRSPA beta binding assay


Bioorg Med Chem Lett 15: 4574-8 (2005)

More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM50172185
PNG
((1S,4aS,10aR)-6-Hydroxy-1,4a-dimethyl-1,2,3,4,4a,9...)
Show SMILES C[C@@]1(CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21)C(=O)NCC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C28H39NO2/c1-26-8-3-9-27(2,24(26)7-5-21-4-6-22(30)13-23(21)26)25(31)29-17-28-14-18-10-19(15-28)12-20(11-18)16-28/h4,6,13,18-20,24,30H,3,5,7-12,14-17H2,1-2H3,(H,29,31)/t18?,19?,20?,24-,26-,27+,28?/m1/s1
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n/an/an/an/a 210n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant LXRalpha expressed in Escherichia coli BL21 cells assessed as association of recombinant SRC1 to LXRalpha ligan...


J Nat Prod 68: 1247-52 (2005)

More data for this
Ligand-Target Pair