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PubMed code 16125384

Compile data set for download or QSAR
Found 109 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
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50167697
PNG
((4aR,9S)-6-Hydroxy-1,4a-dimethyl-1,2,3,4,4a,9,10,1...)
Show SMILES CC1(CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21)C(=O)NC(=O)[C@@]1(C)CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21
Show InChI InChI=1S/C34H43NO4/c1-31-15-5-17-33(3,27(31)13-9-21-7-11-23(36)19-25(21)31)29(38)35-30(39)34(4)18-6-16-32(2)26-20-24(37)12-8-22(26)10-14-28(32)34/h7-8,11-12,19-20,27-28,36-37H,5-6,9-10,13-18H2,1-4H3,(H,35,38,39)/t27-,28-,31-,32-,33+,34?/m1/s1
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n/an/a 1n/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)


Article DOI: 10.1016/j.bmcl.2005.06.100
BindingDB Entry DOI: 10.7270/Q2154GKK
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50167697
PNG
((4aR,9S)-6-Hydroxy-1,4a-dimethyl-1,2,3,4,4a,9,10,1...)
Show SMILES CC1(CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21)C(=O)NC(=O)[C@@]1(C)CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21
Show InChI InChI=1S/C34H43NO4/c1-31-15-5-17-33(3,27(31)13-9-21-7-11-23(36)19-25(21)31)29(38)35-30(39)34(4)18-6-16-32(2)26-20-24(37)12-8-22(26)10-14-28(32)34/h7-8,11-12,19-20,27-28,36-37H,5-6,9-10,13-18H2,1-4H3,(H,35,38,39)/t27-,28-,31-,32-,33+,34?/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration in LXRSPA beta binding assay

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


Article DOI: 10.1016/j.bmcl.2005.06.100
BindingDB Entry DOI: 10.7270/Q2154GKK
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50167694
PNG
(2,6-dimethyl-13-methylcarbonyloxy-(2S)-tricyclo[8....)
Show SMILES CC(=O)Oc1ccc2CC[C@H]3C(C)(CCC[C@]3(C)c2c1)C(=O)OC(=O)[C@@]1(C)CCC[C@@]2(C)[C@H]1CCc1ccc(OC(C)=O)cc21
Show InChI InChI=1S/C38H46O7/c1-23(39)43-27-13-9-25-11-15-31-35(3,29(25)21-27)17-7-19-37(31,5)33(41)45-34(42)38(6)20-8-18-36(4)30-22-28(44-24(2)40)14-10-26(30)12-16-32(36)38/h9-10,13-14,21-22,31-32H,7-8,11-12,15-20H2,1-6H3/t31-,32-,35-,36-,37+,38?/m1/s1
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n/an/a 2n/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)


Article DOI: 10.1016/j.bmcl.2005.06.100
BindingDB Entry DOI: 10.7270/Q2154GKK
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50167694
PNG
(2,6-dimethyl-13-methylcarbonyloxy-(2S)-tricyclo[8....)
Show SMILES CC(=O)Oc1ccc2CC[C@H]3C(C)(CCC[C@]3(C)c2c1)C(=O)OC(=O)[C@@]1(C)CCC[C@@]2(C)[C@H]1CCc1ccc(OC(C)=O)cc21
Show InChI InChI=1S/C38H46O7/c1-23(39)43-27-13-9-25-11-15-31-35(3,29(25)21-27)17-7-19-37(31,5)33(41)45-34(42)38(6)20-8-18-36(4)30-22-28(44-24(2)40)14-10-26(30)12-16-32(36)38/h9-10,13-14,21-22,31-32H,7-8,11-12,15-20H2,1-6H3/t31-,32-,35-,36-,37+,38?/m1/s1
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n/an/a 2n/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)


Article DOI: 10.1016/j.bmcl.2005.06.100
BindingDB Entry DOI: 10.7270/Q2154GKK
More data for this
Ligand-Target Pair
Oxysterols receptor 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 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)


Article DOI: 10.1016/j.bmcl.2005.06.100
BindingDB Entry DOI: 10.7270/Q2154GKK
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50172191
PNG
(3-[((4S,4aR)-6-Hydroxy-4a-methyl-1-(S)-methyl-1,2,...)
Show SMILES CCOC(=O)C12CC3CC(CC(C3)(C1)NC(=O)[C@@]1(C)CCC[C@@]3(C)[C@H]1CCc1ccc(O)cc31)C2 |TLB:8:9:13:6.7.12,3:5:10:7.12.8,THB:8:7:13:34.9.10,6:5:10:7.12.8,6:7:5.13.34:10|
Show InChI InChI=1S/C30H41NO4/c1-4-35-26(34)29-14-19-12-20(15-29)17-30(16-19,18-29)31-25(33)28(3)11-5-10-27(2)23-13-22(32)8-6-21(23)7-9-24(27)28/h6,8,13,19-20,24,32H,4-5,7,9-12,14-18H2,1-3H3,(H,31,33)/t19?,20?,24-,27-,28+,29?,30?/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration in LXRSPA alpha binding assay

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


Article DOI: 10.1016/j.bmcl.2005.06.100
BindingDB Entry DOI: 10.7270/Q2154GKK
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(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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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration in LXRSPA alpha binding assay

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


Article DOI: 10.1016/j.bmcl.2005.06.100
BindingDB Entry DOI: 10.7270/Q2154GKK
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(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 |TLB:25:26:30:23.24.29,THB:25:24:30:31.26.27,27:28:23:31.26.25,27:26:23:30.28.29|
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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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration in LXRSPA alpha binding assay

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


Article DOI: 10.1016/j.bmcl.2005.06.100
BindingDB Entry DOI: 10.7270/Q2154GKK
More data for this
Ligand-Target Pair
Oxysterols receptor 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 |wU:1.19,7.8,5.5,wD:1.0,TLB:19:20:23.22.29:25.26.27,19:20:27:23.29.24,22:23:20.21.26:27,THB:24:23:20:25.26.27,24:25:20:23.22.29,22:21:27:23.29.24,(4.72,-6.63,;3.97,-5.3,;2.62,-4.51,;2.64,-2.96,;4,-2.2,;5.32,-2.99,;5.3,-1.45,;5.3,-4.53,;6.63,-5.3,;7.99,-4.53,;7.98,-2.99,;9.32,-2.22,;9.32,-.68,;7.98,.09,;7.96,1.63,;6.65,-.68,;6.65,-2.22,;2.88,-6.37,;1.38,-5.98,;2.97,-7.91,;1.69,-8.76,;.15,-8.73,;-.65,-10.04,;.1,-11.39,;.08,-12.93,;1.17,-11.86,;.5,-10.23,;2.67,-11.49,;2.43,-10.1,;1.64,-11.42,)|
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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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration in LXRSPA beta binding assay

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


Article DOI: 10.1016/j.bmcl.2005.06.100
BindingDB Entry DOI: 10.7270/Q2154GKK
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(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 |r,THB:22:23:26:30.21.29,22:21:24.23.28:26,29:21:24:28.27.26,29:27:24:30.22.21|
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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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration in LXRSPA alpha binding assay

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


Article DOI: 10.1016/j.bmcl.2005.06.100
BindingDB Entry DOI: 10.7270/Q2154GKK
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50172199
PNG
(1-Phenyl-cyclohexanecarboxylic acid ((1S,4aS,10aR)...)
Show SMILES C[C@@]1(CCC[C@@]2(C)[C@H]1CCc1ccccc21)C(=O)NC(=O)C1(CCCCC1)c1ccccc1
Show InChI InChI=1S/C30H37NO2/c1-28-18-11-19-29(2,25(28)17-16-22-12-7-8-15-24(22)28)26(32)31-27(33)30(20-9-4-10-21-30)23-13-5-3-6-14-23/h3,5-8,12-15,25H,4,9-11,16-21H2,1-2H3,(H,31,32,33)/t25-,28-,29+/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration in LXRSPA beta binding assay

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


Article DOI: 10.1016/j.bmcl.2005.06.100
BindingDB Entry DOI: 10.7270/Q2154GKK
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(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 |wU:1.19,7.8,5.5,wD:1.0,TLB:19:20:23.22.29:25.26.27,19:20:27:23.29.24,22:23:20.21.26:27,THB:24:23:20:25.26.27,24:25:20:23.22.29,22:21:27:23.29.24,(4.72,-6.63,;3.97,-5.3,;2.62,-4.51,;2.64,-2.96,;4,-2.2,;5.32,-2.99,;5.3,-1.45,;5.3,-4.53,;6.63,-5.3,;7.99,-4.53,;7.98,-2.99,;9.32,-2.22,;9.32,-.68,;7.98,.09,;7.96,1.63,;6.65,-.68,;6.65,-2.22,;2.88,-6.37,;1.38,-5.98,;2.97,-7.91,;1.69,-8.76,;.15,-8.73,;-.65,-10.04,;.1,-11.39,;.08,-12.93,;1.17,-11.86,;.5,-10.23,;2.67,-11.49,;2.43,-10.1,;1.64,-11.42,)|
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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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration in LXRSPA alpha binding assay

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


Article DOI: 10.1016/j.bmcl.2005.06.100
BindingDB Entry DOI: 10.7270/Q2154GKK
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50172186
PNG
((1S,4aS,10aR)-1,4a-Dimethyl-1,2,3,4,4a,9,10,10a-oc...)
Show SMILES C[C@@]1(CCC[C@@]2(C)[C@H]1CCc1ccccc21)C(=O)NCC1(CCCCC1)c1ccccc1
Show InChI InChI=1S/C30H39NO/c1-28-18-11-19-29(2,26(28)17-16-23-12-7-8-15-25(23)28)27(32)31-22-30(20-9-4-10-21-30)24-13-5-3-6-14-24/h3,5-8,12-15,26H,4,9-11,16-22H2,1-2H3,(H,31,32)/t26-,28-,29+/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration in LXRSPA beta binding assay

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


Article DOI: 10.1016/j.bmcl.2005.06.100
BindingDB Entry DOI: 10.7270/Q2154GKK
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(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 |TLB:27:22:29:26.28.25,27:26:29:22.21.23,23:24:28:22.21.27,THB:23:22:28:24.29.25|
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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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration in LXRSPA alpha binding assay

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


Article DOI: 10.1016/j.bmcl.2005.06.100
BindingDB Entry DOI: 10.7270/Q2154GKK
More data for this
Ligand-Target Pair
Oxysterols receptor 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 |TLB:27:22:29:26.28.25,27:26:29:22.21.23,23:24:28:22.21.27,THB:23:22:28:24.29.25|
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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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration in LXRSPA beta binding assay

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


Article DOI: 10.1016/j.bmcl.2005.06.100
BindingDB Entry DOI: 10.7270/Q2154GKK
More data for this
Ligand-Target Pair
Oxysterols receptor 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 |TLB:25:26:30:23.24.29,THB:25:24:30:31.26.27,27:28:23:31.26.25,27:26:23:30.28.29|
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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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration in LXRSPA beta binding assay

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


Article DOI: 10.1016/j.bmcl.2005.06.100
BindingDB Entry DOI: 10.7270/Q2154GKK
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50172195
PNG
(((1S,4aS,10aR)-1,4a-Dimethyl-1,2,3,4,4a,9,10,10a-o...)
Show SMILES C[C@@]1(CCC[C@@]2(C)[C@H]1CCc1ccccc21)C(=O)N1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C28H35NO/c1-27-17-8-18-28(2,25(27)14-13-23-11-6-7-12-24(23)27)26(30)29-19-15-22(16-20-29)21-9-4-3-5-10-21/h3-7,9-12,22,25H,8,13-20H2,1-2H3/t25-,27-,28+/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration in LXRSPA beta binding assay

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


Article DOI: 10.1016/j.bmcl.2005.06.100
BindingDB Entry DOI: 10.7270/Q2154GKK
More data for this
Ligand-Target Pair
Oxysterols receptor 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 |r,THB:22:23:26:30.21.29,22:21:24.23.28:26,29:21:24:28.27.26,29:27:24:30.22.21|
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)


Article DOI: 10.1016/j.bmcl.2005.06.100
BindingDB Entry DOI: 10.7270/Q2154GKK
More data for this
Ligand-Target Pair
Oxysterols receptor 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 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)


Article DOI: 10.1016/j.bmcl.2005.06.100
BindingDB Entry DOI: 10.7270/Q2154GKK
More data for this
Ligand-Target Pair
Oxysterols receptor 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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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration in LXRSPA beta binding assay

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


Article DOI: 10.1016/j.bmcl.2005.06.100
BindingDB Entry DOI: 10.7270/Q2154GKK
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50172195
PNG
(((1S,4aS,10aR)-1,4a-Dimethyl-1,2,3,4,4a,9,10,10a-o...)
Show SMILES C[C@@]1(CCC[C@@]2(C)[C@H]1CCc1ccccc21)C(=O)N1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C28H35NO/c1-27-17-8-18-28(2,25(27)14-13-23-11-6-7-12-24(23)27)26(30)29-19-15-22(16-20-29)21-9-4-3-5-10-21/h3-7,9-12,22,25H,8,13-20H2,1-2H3/t25-,27-,28+/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration in LXRSPA alpha binding assay

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


Article DOI: 10.1016/j.bmcl.2005.06.100
BindingDB Entry DOI: 10.7270/Q2154GKK
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50172186
PNG
((1S,4aS,10aR)-1,4a-Dimethyl-1,2,3,4,4a,9,10,10a-oc...)
Show SMILES C[C@@]1(CCC[C@@]2(C)[C@H]1CCc1ccccc21)C(=O)NCC1(CCCCC1)c1ccccc1
Show InChI InChI=1S/C30H39NO/c1-28-18-11-19-29(2,26(28)17-16-23-12-7-8-15-25(23)28)27(32)31-22-30(20-9-4-10-21-30)24-13-5-3-6-14-24/h3,5-8,12-15,26H,4,9-11,16-22H2,1-2H3,(H,31,32)/t26-,28-,29+/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration in LXRSPA alpha binding assay

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


Article DOI: 10.1016/j.bmcl.2005.06.100
BindingDB Entry DOI: 10.7270/Q2154GKK
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(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
Inhibitory concentration in LXRSPA alpha binding assay

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


Article DOI: 10.1016/j.bmcl.2005.06.100
BindingDB Entry DOI: 10.7270/Q2154GKK
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50172207
PNG
(Adamantane-1-carboxylic acid ((1S,4aS,10aR)-1,4a-d...)
Show SMILES C[C@@]1(CCC[C@@]2(C)[C@H]1CCc1ccccc21)C(=O)NC(=O)C12CC3CC(CC(C3)C1)C2 |TLB:24:25:29:22.23.28,THB:24:23:29:30.25.26,26:25:22:29.27.28,26:27:22:30.25.24|
Show InChI InChI=1S/C28H37NO2/c1-26-10-5-11-27(2,23(26)9-8-21-6-3-4-7-22(21)26)24(30)29-25(31)28-15-18-12-19(16-28)14-20(13-18)17-28/h3-4,6-7,18-20,23H,5,8-17H2,1-2H3,(H,29,30,31)/t18?,19?,20?,23-,26-,27+,28?/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration in LXRSPA beta binding assay

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


Article DOI: 10.1016/j.bmcl.2005.06.100
BindingDB Entry DOI: 10.7270/Q2154GKK
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50172207
PNG
(Adamantane-1-carboxylic acid ((1S,4aS,10aR)-1,4a-d...)
Show SMILES C[C@@]1(CCC[C@@]2(C)[C@H]1CCc1ccccc21)C(=O)NC(=O)C12CC3CC(CC(C3)C1)C2 |TLB:24:25:29:22.23.28,THB:24:23:29:30.25.26,26:25:22:29.27.28,26:27:22:30.25.24|
Show InChI InChI=1S/C28H37NO2/c1-26-10-5-11-27(2,23(26)9-8-21-6-3-4-7-22(21)26)24(30)29-25(31)28-15-18-12-19(16-28)14-20(13-18)17-28/h3-4,6-7,18-20,23H,5,8-17H2,1-2H3,(H,29,30,31)/t18?,19?,20?,23-,26-,27+,28?/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration in LXRSPA alpha binding assay

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


Article DOI: 10.1016/j.bmcl.2005.06.100
BindingDB Entry DOI: 10.7270/Q2154GKK
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(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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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration in LXRSPA alpha binding assay

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


Article DOI: 10.1016/j.bmcl.2005.06.100
BindingDB Entry DOI: 10.7270/Q2154GKK
More data for this
Ligand-Target Pair
Oxysterols receptor 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 |THB:9:6:1:4|
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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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration in LXRSPA beta binding assay

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


Article DOI: 10.1016/j.bmcl.2005.06.100
BindingDB Entry DOI: 10.7270/Q2154GKK
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(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 |THB:9:6:1:4|
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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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration in LXRSPA alpha binding assay

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


Article DOI: 10.1016/j.bmcl.2005.06.100
BindingDB Entry DOI: 10.7270/Q2154GKK
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50172189
PNG
(((1S,4aS,10aR)-1,4a-Dimethyl-1,2,3,4,4a,9,10,10a-o...)
Show SMILES C[C@@]1(CCC[C@@]2(C)[C@H]1CCc1ccccc21)C(=O)N1CCCC(C1)c1ccccc1
Show InChI InChI=1S/C28H35NO/c1-27-17-9-18-28(2,25(27)16-15-22-12-6-7-14-24(22)27)26(30)29-19-8-13-23(20-29)21-10-4-3-5-11-21/h3-7,10-12,14,23,25H,8-9,13,15-20H2,1-2H3/t23?,25-,27-,28+/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration in LXRSPA alpha binding assay

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


Article DOI: 10.1016/j.bmcl.2005.06.100
BindingDB Entry DOI: 10.7270/Q2154GKK
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50172189
PNG
(((1S,4aS,10aR)-1,4a-Dimethyl-1,2,3,4,4a,9,10,10a-o...)
Show SMILES C[C@@]1(CCC[C@@]2(C)[C@H]1CCc1ccccc21)C(=O)N1CCCC(C1)c1ccccc1
Show InChI InChI=1S/C28H35NO/c1-27-17-9-18-28(2,25(27)16-15-22-12-6-7-14-24(22)27)26(30)29-19-8-13-23(20-29)21-10-4-3-5-11-21/h3-7,10-12,14,23,25H,8-9,13,15-20H2,1-2H3/t23?,25-,27-,28+/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration in LXRSPA beta binding assay

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


Article DOI: 10.1016/j.bmcl.2005.06.100
BindingDB Entry DOI: 10.7270/Q2154GKK
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50172199
PNG
(1-Phenyl-cyclohexanecarboxylic acid ((1S,4aS,10aR)...)
Show SMILES C[C@@]1(CCC[C@@]2(C)[C@H]1CCc1ccccc21)C(=O)NC(=O)C1(CCCCC1)c1ccccc1
Show InChI InChI=1S/C30H37NO2/c1-28-18-11-19-29(2,25(28)17-16-22-12-7-8-15-24(22)28)26(32)31-27(33)30(20-9-4-10-21-30)23-13-5-3-6-14-23/h3,5-8,12-15,25H,4,9-11,16-21H2,1-2H3,(H,31,32,33)/t25-,28-,29+/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration in LXRSPA alpha binding assay

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


Article DOI: 10.1016/j.bmcl.2005.06.100
BindingDB Entry DOI: 10.7270/Q2154GKK
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50172203
PNG
((1S,4aS,10aR)-1,4a-Dimethyl-1,2,3,4,4a,9,10,10a-oc...)
Show SMILES CC(CNC(=O)[C@@]1(C)CCC[C@@]2(C)[C@H]1CCc1ccccc21)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C32H37NO/c1-30-21-12-22-31(2,28(30)20-19-24-13-10-11-18-27(24)30)29(34)33-23-32(3,25-14-6-4-7-15-25)26-16-8-5-9-17-26/h4-11,13-18,28H,12,19-23H2,1-3H3,(H,33,34)/t28-,30-,31+/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration in LXRSPA beta binding assay

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


Article DOI: 10.1016/j.bmcl.2005.06.100
BindingDB Entry DOI: 10.7270/Q2154GKK
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50172203
PNG
((1S,4aS,10aR)-1,4a-Dimethyl-1,2,3,4,4a,9,10,10a-oc...)
Show SMILES CC(CNC(=O)[C@@]1(C)CCC[C@@]2(C)[C@H]1CCc1ccccc21)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C32H37NO/c1-30-21-12-22-31(2,28(30)20-19-24-13-10-11-18-27(24)30)29(34)33-23-32(3,25-14-6-4-7-15-25)26-16-8-5-9-17-26/h4-11,13-18,28H,12,19-23H2,1-3H3,(H,33,34)/t28-,30-,31+/m1/s1
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n/an/a 490n/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)


Article DOI: 10.1016/j.bmcl.2005.06.100
BindingDB Entry DOI: 10.7270/Q2154GKK
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50172198
PNG
(2,6-dimethyl-(2S,6S,7R)-tricyclo[8.4.0.02,7]tetrad...)
Show SMILES C[C@@]1(CCC[C@@]2(C)[C@H]1CCc1ccccc21)C(=O)N1CCC2(CC1)C=Cc1ccccc21 |c:28|
Show InChI InChI=1S/C30H35NO/c1-28-15-7-16-29(2,26(28)13-12-22-8-3-5-10-24(22)28)27(32)31-20-18-30(19-21-31)17-14-23-9-4-6-11-25(23)30/h3-6,8-11,14,17,26H,7,12-13,15-16,18-21H2,1-2H3/t26-,28-,29+/m1/s1
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n/an/a 500n/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)


Article DOI: 10.1016/j.bmcl.2005.06.100
BindingDB Entry DOI: 10.7270/Q2154GKK
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50172191
PNG
(3-[((4S,4aR)-6-Hydroxy-4a-methyl-1-(S)-methyl-1,2,...)
Show SMILES CCOC(=O)C12CC3CC(CC(C3)(C1)NC(=O)[C@@]1(C)CCC[C@@]3(C)[C@H]1CCc1ccc(O)cc31)C2 |TLB:8:9:13:6.7.12,3:5:10:7.12.8,THB:8:7:13:34.9.10,6:5:10:7.12.8,6:7:5.13.34:10|
Show InChI InChI=1S/C30H41NO4/c1-4-35-26(34)29-14-19-12-20(15-29)17-30(16-19,18-29)31-25(33)28(3)11-5-10-27(2)23-13-22(32)8-6-21(23)7-9-24(27)28/h6,8,13,19-20,24,32H,4-5,7,9-12,14-18H2,1-3H3,(H,31,33)/t19?,20?,24-,27-,28+,29?,30?/m1/s1
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n/an/a 530n/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)


Article DOI: 10.1016/j.bmcl.2005.06.100
BindingDB Entry DOI: 10.7270/Q2154GKK
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50172198
PNG
(2,6-dimethyl-(2S,6S,7R)-tricyclo[8.4.0.02,7]tetrad...)
Show SMILES C[C@@]1(CCC[C@@]2(C)[C@H]1CCc1ccccc21)C(=O)N1CCC2(CC1)C=Cc1ccccc21 |c:28|
Show InChI InChI=1S/C30H35NO/c1-28-15-7-16-29(2,26(28)13-12-22-8-3-5-10-24(22)28)27(32)31-20-18-30(19-21-31)17-14-23-9-4-6-11-25(23)30/h3-6,8-11,14,17,26H,7,12-13,15-16,18-21H2,1-2H3/t26-,28-,29+/m1/s1
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n/an/a 750n/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)


Article DOI: 10.1016/j.bmcl.2005.06.100
BindingDB Entry DOI: 10.7270/Q2154GKK
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50172187
PNG
(1-Adamantan-1-yl-3-((1S,4aS,10aR)-1,4a-dimethyl-1,...)
Show SMILES C[C@@]1(CCC[C@@]2(C)[C@H]1CCc1ccccc21)C(=O)CC(=O)C12CC3CC(CC(C3)C1)C2 |TLB:24:25:29:22.23.28,THB:24:23:29:30.25.26,26:25:22:29.27.28,26:27:22:30.25.24|
Show InChI InChI=1S/C29H38O2/c1-27-10-5-11-28(2,24(27)9-8-22-6-3-4-7-23(22)27)25(30)15-26(31)29-16-19-12-20(17-29)14-21(13-19)18-29/h3-4,6-7,19-21,24H,5,8-18H2,1-2H3/t19?,20?,21?,24-,27-,28+,29?/m1/s1
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n/an/a 1.01E+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)


Article DOI: 10.1016/j.bmcl.2005.06.100
BindingDB Entry DOI: 10.7270/Q2154GKK
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50172187
PNG
(1-Adamantan-1-yl-3-((1S,4aS,10aR)-1,4a-dimethyl-1,...)
Show SMILES C[C@@]1(CCC[C@@]2(C)[C@H]1CCc1ccccc21)C(=O)CC(=O)C12CC3CC(CC(C3)C1)C2 |TLB:24:25:29:22.23.28,THB:24:23:29:30.25.26,26:25:22:29.27.28,26:27:22:30.25.24|
Show InChI InChI=1S/C29H38O2/c1-27-10-5-11-28(2,24(27)9-8-22-6-3-4-7-23(22)27)25(30)15-26(31)29-16-19-12-20(17-29)14-21(13-19)18-29/h3-4,6-7,19-21,24H,5,8-18H2,1-2H3/t19?,20?,21?,24-,27-,28+,29?/m1/s1
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n/an/a 1.67E+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)


Article DOI: 10.1016/j.bmcl.2005.06.100
BindingDB Entry DOI: 10.7270/Q2154GKK
More data for this
Ligand-Target Pair
Oxysterols receptor 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 2.22E+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)


Article DOI: 10.1016/j.bmcl.2005.06.100
BindingDB Entry DOI: 10.7270/Q2154GKK
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50172196
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)OCc1ccccc1
Show InChI InChI=1S/C24H28O3/c1-23-13-6-14-24(2,22(26)27-16-17-7-4-3-5-8-17)21(23)12-10-18-9-11-19(25)15-20(18)23/h3-5,7-9,11,15,21,25H,6,10,12-14,16H2,1-2H3/t21-,23-,24+/m1/s1
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n/an/a 2.80E+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)


Article DOI: 10.1016/j.bmcl.2005.06.100
BindingDB Entry DOI: 10.7270/Q2154GKK
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50172196
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)OCc1ccccc1
Show InChI InChI=1S/C24H28O3/c1-23-13-6-14-24(2,22(26)27-16-17-7-4-3-5-8-17)21(23)12-10-18-9-11-19(25)15-20(18)23/h3-5,7-9,11,15,21,25H,6,10,12-14,16H2,1-2H3/t21-,23-,24+/m1/s1
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n/an/a 2.90E+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)


Article DOI: 10.1016/j.bmcl.2005.06.100
BindingDB Entry DOI: 10.7270/Q2154GKK
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(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)


Article DOI: 10.1016/j.bmcl.2005.06.100
BindingDB Entry DOI: 10.7270/Q2154GKK
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(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 |TLB:19:20:26:24.23|
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)


Article DOI: 10.1016/j.bmcl.2005.06.100
BindingDB Entry DOI: 10.7270/Q2154GKK
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50172205
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)OCCCC=C
Show InChI InChI=1S/C22H30O3/c1-4-5-6-14-25-20(24)22(3)13-7-12-21(2)18-15-17(23)10-8-16(18)9-11-19(21)22/h4,8,10,15,19,23H,1,5-7,9,11-14H2,2-3H3/t19-,21-,22+/m1/s1
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n/an/a 3.80E+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)


Article DOI: 10.1016/j.bmcl.2005.06.100
BindingDB Entry DOI: 10.7270/Q2154GKK
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50172194
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)OCCC=C
Show InChI InChI=1S/C21H28O3/c1-4-5-13-24-19(23)21(3)12-6-11-20(2)17-14-16(22)9-7-15(17)8-10-18(20)21/h4,7,9,14,18,22H,1,5-6,8,10-13H2,2-3H3/t18-,20-,21+/m1/s1
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n/an/a 3.85E+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)


Article DOI: 10.1016/j.bmcl.2005.06.100
BindingDB Entry DOI: 10.7270/Q2154GKK
More data for this
Ligand-Target Pair
Oxysterols receptor 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 |TLB:19:20:26:24.23|
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)


Article DOI: 10.1016/j.bmcl.2005.06.100
BindingDB Entry DOI: 10.7270/Q2154GKK
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50172205
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)OCCCC=C
Show InChI InChI=1S/C22H30O3/c1-4-5-6-14-25-20(24)22(3)13-7-12-21(2)18-15-17(23)10-8-16(18)9-11-19(21)22/h4,8,10,15,19,23H,1,5-7,9,11-14H2,2-3H3/t19-,21-,22+/m1/s1
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n/an/a 5.00E+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)


Article DOI: 10.1016/j.bmcl.2005.06.100
BindingDB Entry DOI: 10.7270/Q2154GKK
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50172194
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)OCCC=C
Show InChI InChI=1S/C21H28O3/c1-4-5-13-24-19(23)21(3)12-6-11-20(2)17-14-16(22)9-7-15(17)8-10-18(20)21/h4,7,9,14,18,22H,1,5-6,8,10-13H2,2-3H3/t18-,20-,21+/m1/s1
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n/an/a 5.06E+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)


Article DOI: 10.1016/j.bmcl.2005.06.100
BindingDB Entry DOI: 10.7270/Q2154GKK
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50172201
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)OCC=C
Show InChI InChI=1S/C20H26O3/c1-4-12-23-18(22)20(3)11-5-10-19(2)16-13-15(21)8-6-14(16)7-9-17(19)20/h4,6,8,13,17,21H,1,5,7,9-12H2,2-3H3/t17-,19-,20+/m1/s1
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n/an/a>1.50E+4n/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)


Article DOI: 10.1016/j.bmcl.2005.06.100
BindingDB Entry DOI: 10.7270/Q2154GKK
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50172201
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)OCC=C
Show InChI InChI=1S/C20H26O3/c1-4-12-23-18(22)20(3)11-5-10-19(2)16-13-15(21)8-6-14(16)7-9-17(19)20/h4,6,8,13,17,21H,1,5,7,9-12H2,2-3H3/t17-,19-,20+/m1/s1
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n/an/a>1.50E+4n/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)


Article DOI: 10.1016/j.bmcl.2005.06.100
BindingDB Entry DOI: 10.7270/Q2154GKK
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50172186
PNG
((1S,4aS,10aR)-1,4a-Dimethyl-1,2,3,4,4a,9,10,10a-oc...)
Show SMILES C[C@@]1(CCC[C@@]2(C)[C@H]1CCc1ccccc21)C(=O)NCC1(CCCCC1)c1ccccc1
Show InChI InChI=1S/C30H39NO/c1-28-18-11-19-29(2,26(28)17-16-23-12-7-8-15-25(23)28)27(32)31-22-30(20-9-4-10-21-30)24-13-5-3-6-14-24/h3,5-8,12-15,26H,4,9-11,16-22H2,1-2H3,(H,31,32)/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)


Article DOI: 10.1016/j.bmcl.2005.06.100
BindingDB Entry DOI: 10.7270/Q2154GKK
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50167697
PNG
((4aR,9S)-6-Hydroxy-1,4a-dimethyl-1,2,3,4,4a,9,10,1...)
Show SMILES CC1(CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21)C(=O)NC(=O)[C@@]1(C)CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21
Show InChI InChI=1S/C34H43NO4/c1-31-15-5-17-33(3,27(31)13-9-21-7-11-23(36)19-25(21)31)29(38)35-30(39)34(4)18-6-16-32(2)26-20-24(37)12-8-22(26)10-14-28(32)34/h7-8,11-12,19-20,27-28,36-37H,5-6,9-10,13-18H2,1-4H3,(H,35,38,39)/t27-,28-,31-,32-,33+,34?/m1/s1
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n/an/an/an/a<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)


Article DOI: 10.1016/j.bmcl.2005.06.100
BindingDB Entry DOI: 10.7270/Q2154GKK
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50172198
PNG
(2,6-dimethyl-(2S,6S,7R)-tricyclo[8.4.0.02,7]tetrad...)
Show SMILES C[C@@]1(CCC[C@@]2(C)[C@H]1CCc1ccccc21)C(=O)N1CCC2(CC1)C=Cc1ccccc21 |c:28|
Show InChI InChI=1S/C30H35NO/c1-28-15-7-16-29(2,26(28)13-12-22-8-3-5-10-24(22)28)27(32)31-20-18-30(19-21-31)17-14-23-9-4-6-11-25(23)30/h3-6,8-11,14,17,26H,7,12-13,15-16,18-21H2,1-2H3/t26-,28-,29+/m1/s1
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n/an/an/an/a 1.50E+3n/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)


Article DOI: 10.1016/j.bmcl.2005.06.100
BindingDB Entry DOI: 10.7270/Q2154GKK
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50167694
PNG
(2,6-dimethyl-13-methylcarbonyloxy-(2S)-tricyclo[8....)
Show SMILES CC(=O)Oc1ccc2CC[C@H]3C(C)(CCC[C@]3(C)c2c1)C(=O)OC(=O)[C@@]1(C)CCC[C@@]2(C)[C@H]1CCc1ccc(OC(C)=O)cc21
Show InChI InChI=1S/C38H46O7/c1-23(39)43-27-13-9-25-11-15-31-35(3,29(25)21-27)17-7-19-37(31,5)33(41)45-34(42)38(6)20-8-18-36(4)30-22-28(44-24(2)40)14-10-26(30)12-16-32(36)38/h9-10,13-14,21-22,31-32H,7-8,11-12,15-20H2,1-6H3/t31-,32-,35-,36-,37+,38?/m1/s1
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n/an/an/an/a 10n/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)


Article DOI: 10.1016/j.bmcl.2005.06.100
BindingDB Entry DOI: 10.7270/Q2154GKK
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(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 |wU:1.19,7.8,5.5,wD:1.0,TLB:19:20:23.22.29:25.26.27,19:20:27:23.29.24,22:23:20.21.26:27,THB:24:23:20:25.26.27,24:25:20:23.22.29,22:21:27:23.29.24,(4.72,-6.63,;3.97,-5.3,;2.62,-4.51,;2.64,-2.96,;4,-2.2,;5.32,-2.99,;5.3,-1.45,;5.3,-4.53,;6.63,-5.3,;7.99,-4.53,;7.98,-2.99,;9.32,-2.22,;9.32,-.68,;7.98,.09,;7.96,1.63,;6.65,-.68,;6.65,-2.22,;2.88,-6.37,;1.38,-5.98,;2.97,-7.91,;1.69,-8.76,;.15,-8.73,;-.65,-10.04,;.1,-11.39,;.08,-12.93,;1.17,-11.86,;.5,-10.23,;2.67,-11.49,;2.43,-10.1,;1.64,-11.42,)|
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)


Article DOI: 10.1016/j.bmcl.2005.06.100
BindingDB Entry DOI: 10.7270/Q2154GKK
More data for this
Ligand-Target Pair
Oxysterols receptor 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 |TLB:25:26:30:23.24.29,THB:25:24:30:31.26.27,27:28:23:31.26.25,27:26:23:30.28.29|
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)


Article DOI: 10.1016/j.bmcl.2005.06.100
BindingDB Entry DOI: 10.7270/Q2154GKK
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50172196
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)OCc1ccccc1
Show InChI InChI=1S/C24H28O3/c1-23-13-6-14-24(2,22(26)27-16-17-7-4-3-5-8-17)21(23)12-10-18-9-11-19(25)15-20(18)23/h3-5,7-9,11,15,21,25H,6,10,12-14,16H2,1-2H3/t21-,23-,24+/m1/s1
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n/an/an/an/a>1.50E+4n/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)


Article DOI: 10.1016/j.bmcl.2005.06.100
BindingDB Entry DOI: 10.7270/Q2154GKK
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50172189
PNG
(((1S,4aS,10aR)-1,4a-Dimethyl-1,2,3,4,4a,9,10,10a-o...)
Show SMILES C[C@@]1(CCC[C@@]2(C)[C@H]1CCc1ccccc21)C(=O)N1CCCC(C1)c1ccccc1
Show InChI InChI=1S/C28H35NO/c1-27-17-9-18-28(2,25(27)16-15-22-12-6-7-14-24(22)27)26(30)29-19-8-13-23(20-29)21-10-4-3-5-11-21/h3-7,10-12,14,23,25H,8-9,13,15-20H2,1-2H3/t23?,25-,27-,28+/m1/s1
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n/an/an/an/a 150n/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)


Article DOI: 10.1016/j.bmcl.2005.06.100
BindingDB Entry DOI: 10.7270/Q2154GKK
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50172195
PNG
(((1S,4aS,10aR)-1,4a-Dimethyl-1,2,3,4,4a,9,10,10a-o...)
Show SMILES C[C@@]1(CCC[C@@]2(C)[C@H]1CCc1ccccc21)C(=O)N1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C28H35NO/c1-27-17-8-18-28(2,25(27)14-13-23-11-6-7-12-24(23)27)26(30)29-19-15-22(16-20-29)21-9-4-3-5-10-21/h3-7,9-12,22,25H,8,13-20H2,1-2H3/t25-,27-,28+/m1/s1
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n/an/an/an/a 70n/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)


Article DOI: 10.1016/j.bmcl.2005.06.100
BindingDB Entry DOI: 10.7270/Q2154GKK
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50172205
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)OCCCC=C
Show InChI InChI=1S/C22H30O3/c1-4-5-6-14-25-20(24)22(3)13-7-12-21(2)18-15-17(23)10-8-16(18)9-11-19(21)22/h4,8,10,15,19,23H,1,5-7,9,11-14H2,2-3H3/t19-,21-,22+/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 transactivation assay using a chimeric LXR construct in HEK293 cells for LXRalpha receptor

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


Article DOI: 10.1016/j.bmcl.2005.06.100
BindingDB Entry DOI: 10.7270/Q2154GKK
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(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)


Article DOI: 10.1016/j.bmcl.2005.06.100
BindingDB Entry DOI: 10.7270/Q2154GKK
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50172196
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)OCc1ccccc1
Show InChI InChI=1S/C24H28O3/c1-23-13-6-14-24(2,22(26)27-16-17-7-4-3-5-8-17)21(23)12-10-18-9-11-19(25)15-20(18)23/h3-5,7-9,11,15,21,25H,6,10,12-14,16H2,1-2H3/t21-,23-,24+/m1/s1
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n/an/an/an/a>1.50E+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)


Article DOI: 10.1016/j.bmcl.2005.06.100
BindingDB Entry DOI: 10.7270/Q2154GKK
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50172187
PNG
(1-Adamantan-1-yl-3-((1S,4aS,10aR)-1,4a-dimethyl-1,...)
Show SMILES C[C@@]1(CCC[C@@]2(C)[C@H]1CCc1ccccc21)C(=O)CC(=O)C12CC3CC(CC(C3)C1)C2 |TLB:24:25:29:22.23.28,THB:24:23:29:30.25.26,26:25:22:29.27.28,26:27:22:30.25.24|
Show InChI InChI=1S/C29H38O2/c1-27-10-5-11-28(2,24(27)9-8-22-6-3-4-7-23(22)27)25(30)15-26(31)29-16-19-12-20(17-29)14-21(13-19)18-29/h3-4,6-7,19-21,24H,5,8-18H2,1-2H3/t19?,20?,21?,24-,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 LXRalpha ligand binding domain in homogeneous time-resolved fluorescence assay

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


Article DOI: 10.1016/j.bmcl.2005.06.100
BindingDB Entry DOI: 10.7270/Q2154GKK
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50172199
PNG
(1-Phenyl-cyclohexanecarboxylic acid ((1S,4aS,10aR)...)
Show SMILES C[C@@]1(CCC[C@@]2(C)[C@H]1CCc1ccccc21)C(=O)NC(=O)C1(CCCCC1)c1ccccc1
Show InChI InChI=1S/C30H37NO2/c1-28-18-11-19-29(2,25(28)17-16-22-12-7-8-15-24(22)28)26(32)31-27(33)30(20-9-4-10-21-30)23-13-5-3-6-14-23/h3,5-8,12-15,25H,4,9-11,16-21H2,1-2H3,(H,31,32,33)/t25-,28-,29+/m1/s1
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n/an/an/an/a 170n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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

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


Article DOI: 10.1016/j.bmcl.2005.06.100
BindingDB Entry DOI: 10.7270/Q2154GKK
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50172205
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)OCCCC=C
Show InChI InChI=1S/C22H30O3/c1-4-5-6-14-25-20(24)22(3)13-7-12-21(2)18-15-17(23)10-8-16(18)9-11-19(21)22/h4,8,10,15,19,23H,1,5-7,9,11-14H2,2-3H3/t19-,21-,22+/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)


Article DOI: 10.1016/j.bmcl.2005.06.100
BindingDB Entry DOI: 10.7270/Q2154GKK
More data for this
Ligand-Target Pair
Oxysterols receptor 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 |THB:9:6:1:4|
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)


Article DOI: 10.1016/j.bmcl.2005.06.100
BindingDB Entry DOI: 10.7270/Q2154GKK
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50172191
PNG
(3-[((4S,4aR)-6-Hydroxy-4a-methyl-1-(S)-methyl-1,2,...)
Show SMILES CCOC(=O)C12CC3CC(CC(C3)(C1)NC(=O)[C@@]1(C)CCC[C@@]3(C)[C@H]1CCc1ccc(O)cc31)C2 |TLB:8:9:13:6.7.12,3:5:10:7.12.8,THB:8:7:13:34.9.10,6:5:10:7.12.8,6:7:5.13.34:10|
Show InChI InChI=1S/C30H41NO4/c1-4-35-26(34)29-14-19-12-20(15-29)17-30(16-19,18-29)31-25(33)28(3)11-5-10-27(2)23-13-22(32)8-6-21(23)7-9-24(27)28/h6,8,13,19-20,24,32H,4-5,7,9-12,14-18H2,1-3H3,(H,31,33)/t19?,20?,24-,27-,28+,29?,30?/m1/s1
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n/an/an/an/a 760n/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)


Article DOI: 10.1016/j.bmcl.2005.06.100
BindingDB Entry DOI: 10.7270/Q2154GKK
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(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 |TLB:27:22:29:26.28.25,27:26:29:22.21.23,23:24:28:22.21.27,THB:23:22:28:24.29.25|
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)


Article DOI: 10.1016/j.bmcl.2005.06.100
BindingDB Entry DOI: 10.7270/Q2154GKK
More data for this
Ligand-Target Pair
Oxysterols receptor 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>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)


Article DOI: 10.1016/j.bmcl.2005.06.100
BindingDB Entry DOI: 10.7270/Q2154GKK
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(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)


Article DOI: 10.1016/j.bmcl.2005.06.100
BindingDB Entry DOI: 10.7270/Q2154GKK
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50172203
PNG
((1S,4aS,10aR)-1,4a-Dimethyl-1,2,3,4,4a,9,10,10a-oc...)
Show SMILES CC(CNC(=O)[C@@]1(C)CCC[C@@]2(C)[C@H]1CCc1ccccc21)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C32H37NO/c1-30-21-12-22-31(2,28(30)20-19-24-13-10-11-18-27(24)30)29(34)33-23-32(3,25-14-6-4-7-15-25)26-16-8-5-9-17-26/h4-11,13-18,28H,12,19-23H2,1-3H3,(H,33,34)/t28-,30-,31+/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)


Article DOI: 10.1016/j.bmcl.2005.06.100
BindingDB Entry DOI: 10.7270/Q2154GKK
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50172195
PNG
(((1S,4aS,10aR)-1,4a-Dimethyl-1,2,3,4,4a,9,10,10a-o...)
Show SMILES C[C@@]1(CCC[C@@]2(C)[C@H]1CCc1ccccc21)C(=O)N1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C28H35NO/c1-27-17-8-18-28(2,25(27)14-13-23-11-6-7-12-24(23)27)26(30)29-19-15-22(16-20-29)21-9-4-3-5-10-21/h3-7,9-12,22,25H,8,13-20H2,1-2H3/t25-,27-,28+/m1/s1
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n/an/an/an/a 70n/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)


Article DOI: 10.1016/j.bmcl.2005.06.100
BindingDB Entry DOI: 10.7270/Q2154GKK
More data for this
Ligand-Target Pair
Oxysterols receptor 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 |wU:1.19,7.8,5.5,wD:1.0,TLB:19:20:23.22.29:25.26.27,19:20:27:23.29.24,22:23:20.21.26:27,THB:24:23:20:25.26.27,24:25:20:23.22.29,22:21:27:23.29.24,(4.72,-6.63,;3.97,-5.3,;2.62,-4.51,;2.64,-2.96,;4,-2.2,;5.32,-2.99,;5.3,-1.45,;5.3,-4.53,;6.63,-5.3,;7.99,-4.53,;7.98,-2.99,;9.32,-2.22,;9.32,-.68,;7.98,.09,;7.96,1.63,;6.65,-.68,;6.65,-2.22,;2.88,-6.37,;1.38,-5.98,;2.97,-7.91,;1.69,-8.76,;.15,-8.73,;-.65,-10.04,;.1,-11.39,;.08,-12.93,;1.17,-11.86,;.5,-10.23,;2.67,-11.49,;2.43,-10.1,;1.64,-11.42,)|
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)


Article DOI: 10.1016/j.bmcl.2005.06.100
BindingDB Entry DOI: 10.7270/Q2154GKK
More data for this
Ligand-Target Pair
Oxysterols receptor 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 |wU:1.19,7.8,5.5,wD:1.0,TLB:19:20:23.22.29:25.26.27,19:20:27:23.29.24,22:23:20.21.26:27,THB:24:23:20:25.26.27,24:25:20:23.22.29,22:21:27:23.29.24,(4.72,-6.63,;3.97,-5.3,;2.62,-4.51,;2.64,-2.96,;4,-2.2,;5.32,-2.99,;5.3,-1.45,;5.3,-4.53,;6.63,-5.3,;7.99,-4.53,;7.98,-2.99,;9.32,-2.22,;9.32,-.68,;7.98,.09,;7.96,1.63,;6.65,-.68,;6.65,-2.22,;2.88,-6.37,;1.38,-5.98,;2.97,-7.91,;1.69,-8.76,;.15,-8.73,;-.65,-10.04,;.1,-11.39,;.08,-12.93,;1.17,-11.86,;.5,-10.23,;2.67,-11.49,;2.43,-10.1,;1.64,-11.42,)|
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)


Article DOI: 10.1016/j.bmcl.2005.06.100
BindingDB Entry DOI: 10.7270/Q2154GKK
More data for this
Ligand-Target Pair
Oxysterols receptor 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 |r,THB:22:23:26:30.21.29,22:21:24.23.28:26,29:21:24:28.27.26,29:27:24:30.22.21|
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)


Article DOI: 10.1016/j.bmcl.2005.06.100
BindingDB Entry DOI: 10.7270/Q2154GKK
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50172189
PNG
(((1S,4aS,10aR)-1,4a-Dimethyl-1,2,3,4,4a,9,10,10a-o...)
Show SMILES C[C@@]1(CCC[C@@]2(C)[C@H]1CCc1ccccc21)C(=O)N1CCCC(C1)c1ccccc1
Show InChI InChI=1S/C28H35NO/c1-27-17-9-18-28(2,25(27)16-15-22-12-6-7-14-24(22)27)26(30)29-19-8-13-23(20-29)21-10-4-3-5-11-21/h3-7,10-12,14,23,25H,8-9,13,15-20H2,1-2H3/t23?,25-,27-,28+/m1/s1
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n/an/an/an/a 100n/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)


Article DOI: 10.1016/j.bmcl.2005.06.100
BindingDB Entry DOI: 10.7270/Q2154GKK
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50167697
PNG
((4aR,9S)-6-Hydroxy-1,4a-dimethyl-1,2,3,4,4a,9,10,1...)
Show SMILES CC1(CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21)C(=O)NC(=O)[C@@]1(C)CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21
Show InChI InChI=1S/C34H43NO4/c1-31-15-5-17-33(3,27(31)13-9-21-7-11-23(36)19-25(21)31)29(38)35-30(39)34(4)18-6-16-32(2)26-20-24(37)12-8-22(26)10-14-28(32)34/h7-8,11-12,19-20,27-28,36-37H,5-6,9-10,13-18H2,1-4H3,(H,35,38,39)/t27-,28-,31-,32-,33+,34?/m1/s1
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n/an/an/an/a 1n/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)


Article DOI: 10.1016/j.bmcl.2005.06.100
BindingDB Entry DOI: 10.7270/Q2154GKK
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50172203
PNG
((1S,4aS,10aR)-1,4a-Dimethyl-1,2,3,4,4a,9,10,10a-oc...)
Show SMILES CC(CNC(=O)[C@@]1(C)CCC[C@@]2(C)[C@H]1CCc1ccccc21)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C32H37NO/c1-30-21-12-22-31(2,28(30)20-19-24-13-10-11-18-27(24)30)29(34)33-23-32(3,25-14-6-4-7-15-25)26-16-8-5-9-17-26/h4-11,13-18,28H,12,19-23H2,1-3H3,(H,33,34)/t28-,30-,31+/m1/s1
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n/an/an/an/a 360n/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)


Article DOI: 10.1016/j.bmcl.2005.06.100
BindingDB Entry DOI: 10.7270/Q2154GKK
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50172198
PNG
(2,6-dimethyl-(2S,6S,7R)-tricyclo[8.4.0.02,7]tetrad...)
Show SMILES C[C@@]1(CCC[C@@]2(C)[C@H]1CCc1ccccc21)C(=O)N1CCC2(CC1)C=Cc1ccccc21 |c:28|
Show InChI InChI=1S/C30H35NO/c1-28-15-7-16-29(2,26(28)13-12-22-8-3-5-10-24(22)28)27(32)31-20-18-30(19-21-31)17-14-23-9-4-6-11-25(23)30/h3-6,8-11,14,17,26H,7,12-13,15-16,18-21H2,1-2H3/t26-,28-,29+/m1/s1
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n/an/an/an/a 430n/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)


Article DOI: 10.1016/j.bmcl.2005.06.100
BindingDB Entry DOI: 10.7270/Q2154GKK
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50167694
PNG
(2,6-dimethyl-13-methylcarbonyloxy-(2S)-tricyclo[8....)
Show SMILES CC(=O)Oc1ccc2CC[C@H]3C(C)(CCC[C@]3(C)c2c1)C(=O)OC(=O)[C@@]1(C)CCC[C@@]2(C)[C@H]1CCc1ccc(OC(C)=O)cc21
Show InChI InChI=1S/C38H46O7/c1-23(39)43-27-13-9-25-11-15-31-35(3,29(25)21-27)17-7-19-37(31,5)33(41)45-34(42)38(6)20-8-18-36(4)30-22-28(44-24(2)40)14-10-26(30)12-16-32(36)38/h9-10,13-14,21-22,31-32H,7-8,11-12,15-20H2,1-6H3/t31-,32-,35-,36-,37+,38?/m1/s1
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n/an/an/an/a 2n/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)


Article DOI: 10.1016/j.bmcl.2005.06.100
BindingDB Entry DOI: 10.7270/Q2154GKK
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50172201
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)OCC=C
Show InChI InChI=1S/C20H26O3/c1-4-12-23-18(22)20(3)11-5-10-19(2)16-13-15(21)8-6-14(16)7-9-17(19)20/h4,6,8,13,17,21H,1,5,7,9-12H2,2-3H3/t17-,19-,20+/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 transactivation assay using a chimeric LXR construct in HEK293 cells for LXRalpha receptor

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


Article DOI: 10.1016/j.bmcl.2005.06.100
BindingDB Entry DOI: 10.7270/Q2154GKK
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(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 |wU:1.19,7.8,5.5,wD:1.0,TLB:19:20:23.22.29:25.26.27,19:20:27:23.29.24,22:23:20.21.26:27,THB:24:23:20:25.26.27,24:25:20:23.22.29,22:21:27:23.29.24,(4.72,-6.63,;3.97,-5.3,;2.62,-4.51,;2.64,-2.96,;4,-2.2,;5.32,-2.99,;5.3,-1.45,;5.3,-4.53,;6.63,-5.3,;7.99,-4.53,;7.98,-2.99,;9.32,-2.22,;9.32,-.68,;7.98,.09,;7.96,1.63,;6.65,-.68,;6.65,-2.22,;2.88,-6.37,;1.38,-5.98,;2.97,-7.91,;1.69,-8.76,;.15,-8.73,;-.65,-10.04,;.1,-11.39,;.08,-12.93,;1.17,-11.86,;.5,-10.23,;2.67,-11.49,;2.43,-10.1,;1.64,-11.42,)|
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)


Article DOI: 10.1016/j.bmcl.2005.06.100
BindingDB Entry DOI: 10.7270/Q2154GKK
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(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)


Article DOI: 10.1016/j.bmcl.2005.06.100
BindingDB Entry DOI: 10.7270/Q2154GKK
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(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)


Article DOI: 10.1016/j.bmcl.2005.06.100
BindingDB Entry DOI: 10.7270/Q2154GKK
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50172186
PNG
((1S,4aS,10aR)-1,4a-Dimethyl-1,2,3,4,4a,9,10,10a-oc...)
Show SMILES C[C@@]1(CCC[C@@]2(C)[C@H]1CCc1ccccc21)C(=O)NCC1(CCCCC1)c1ccccc1
Show InChI InChI=1S/C30H39NO/c1-28-18-11-19-29(2,26(28)17-16-23-12-7-8-15-25(23)28)27(32)31-22-30(20-9-4-10-21-30)24-13-5-3-6-14-24/h3,5-8,12-15,26H,4,9-11,16-22H2,1-2H3,(H,31,32)/t26-,28-,29+/m1/s1
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n/an/an/an/a 170n/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)


Article DOI: 10.1016/j.bmcl.2005.06.100
BindingDB Entry DOI: 10.7270/Q2154GKK
More data for this
Ligand-Target Pair
Oxysterols receptor 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>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)


Article DOI: 10.1016/j.bmcl.2005.06.100
BindingDB Entry DOI: 10.7270/Q2154GKK
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50172207
PNG
(Adamantane-1-carboxylic acid ((1S,4aS,10aR)-1,4a-d...)
Show SMILES C[C@@]1(CCC[C@@]2(C)[C@H]1CCc1ccccc21)C(=O)NC(=O)C12CC3CC(CC(C3)C1)C2 |TLB:24:25:29:22.23.28,THB:24:23:29:30.25.26,26:25:22:29.27.28,26:27:22:30.25.24|
Show InChI InChI=1S/C28H37NO2/c1-26-10-5-11-27(2,23(26)9-8-21-6-3-4-7-22(21)26)24(30)29-25(31)28-15-18-12-19(16-28)14-20(13-18)17-28/h3-4,6-7,18-20,23H,5,8-17H2,1-2H3,(H,29,30,31)/t18?,19?,20?,23-,26-,27+,28?/m1/s1
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n/an/an/an/a 1.50E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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

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


Article DOI: 10.1016/j.bmcl.2005.06.100
BindingDB Entry DOI: 10.7270/Q2154GKK
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50172191
PNG
(3-[((4S,4aR)-6-Hydroxy-4a-methyl-1-(S)-methyl-1,2,...)
Show SMILES CCOC(=O)C12CC3CC(CC(C3)(C1)NC(=O)[C@@]1(C)CCC[C@@]3(C)[C@H]1CCc1ccc(O)cc31)C2 |TLB:8:9:13:6.7.12,3:5:10:7.12.8,THB:8:7:13:34.9.10,6:5:10:7.12.8,6:7:5.13.34:10|
Show InChI InChI=1S/C30H41NO4/c1-4-35-26(34)29-14-19-12-20(15-29)17-30(16-19,18-29)31-25(33)28(3)11-5-10-27(2)23-13-22(32)8-6-21(23)7-9-24(27)28/h6,8,13,19-20,24,32H,4-5,7,9-12,14-18H2,1-3H3,(H,31,33)/t19?,20?,24-,27-,28+,29?,30?/m1/s1
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n/an/an/an/a 830n/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)


Article DOI: 10.1016/j.bmcl.2005.06.100
BindingDB Entry DOI: 10.7270/Q2154GKK
More data for this
Ligand-Target Pair
Oxysterols receptor 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>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)


Article DOI: 10.1016/j.bmcl.2005.06.100
BindingDB Entry DOI: 10.7270/Q2154GKK
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50167694
PNG
(2,6-dimethyl-13-methylcarbonyloxy-(2S)-tricyclo[8....)
Show SMILES CC(=O)Oc1ccc2CC[C@H]3C(C)(CCC[C@]3(C)c2c1)C(=O)OC(=O)[C@@]1(C)CCC[C@@]2(C)[C@H]1CCc1ccc(OC(C)=O)cc21
Show InChI InChI=1S/C38H46O7/c1-23(39)43-27-13-9-25-11-15-31-35(3,29(25)21-27)17-7-19-37(31,5)33(41)45-34(42)38(6)20-8-18-36(4)30-22-28(44-24(2)40)14-10-26(30)12-16-32(36)38/h9-10,13-14,21-22,31-32H,7-8,11-12,15-20H2,1-6H3/t31-,32-,35-,36-,37+,38?/m1/s1
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n/an/an/an/a 10n/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)


Article DOI: 10.1016/j.bmcl.2005.06.100
BindingDB Entry DOI: 10.7270/Q2154GKK
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50172199
PNG
(1-Phenyl-cyclohexanecarboxylic acid ((1S,4aS,10aR)...)
Show SMILES C[C@@]1(CCC[C@@]2(C)[C@H]1CCc1ccccc21)C(=O)NC(=O)C1(CCCCC1)c1ccccc1
Show InChI InChI=1S/C30H37NO2/c1-28-18-11-19-29(2,25(28)17-16-22-12-7-8-15-24(22)28)26(32)31-27(33)30(20-9-4-10-21-30)23-13-5-3-6-14-23/h3,5-8,12-15,25H,4,9-11,16-21H2,1-2H3,(H,31,32,33)/t25-,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)


Article DOI: 10.1016/j.bmcl.2005.06.100
BindingDB Entry DOI: 10.7270/Q2154GKK
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(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 |TLB:19:20:26:24.23|
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)


Article DOI: 10.1016/j.bmcl.2005.06.100
BindingDB Entry DOI: 10.7270/Q2154GKK
More data for this
Ligand-Target Pair
Oxysterols receptor 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 |TLB:27:22:29:26.28.25,27:26:29:22.21.23,23:24:28:22.21.27,THB:23:22:28:24.29.25|
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)


Article DOI: 10.1016/j.bmcl.2005.06.100
BindingDB Entry DOI: 10.7270/Q2154GKK
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50167697
PNG
((4aR,9S)-6-Hydroxy-1,4a-dimethyl-1,2,3,4,4a,9,10,1...)
Show SMILES CC1(CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21)C(=O)NC(=O)[C@@]1(C)CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21
Show InChI InChI=1S/C34H43NO4/c1-31-15-5-17-33(3,27(31)13-9-21-7-11-23(36)19-25(21)31)29(38)35-30(39)34(4)18-6-16-32(2)26-20-24(37)12-8-22(26)10-14-28(32)34/h7-8,11-12,19-20,27-28,36-37H,5-6,9-10,13-18H2,1-4H3,(H,35,38,39)/t27-,28-,31-,32-,33+,34?/m1/s1
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n/an/an/an/a 1n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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

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


Article DOI: 10.1016/j.bmcl.2005.06.100
BindingDB Entry DOI: 10.7270/Q2154GKK
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50167694
PNG
(2,6-dimethyl-13-methylcarbonyloxy-(2S)-tricyclo[8....)
Show SMILES CC(=O)Oc1ccc2CC[C@H]3C(C)(CCC[C@]3(C)c2c1)C(=O)OC(=O)[C@@]1(C)CCC[C@@]2(C)[C@H]1CCc1ccc(OC(C)=O)cc21
Show InChI InChI=1S/C38H46O7/c1-23(39)43-27-13-9-25-11-15-31-35(3,29(25)21-27)17-7-19-37(31,5)33(41)45-34(42)38(6)20-8-18-36(4)30-22-28(44-24(2)40)14-10-26(30)12-16-32(36)38/h9-10,13-14,21-22,31-32H,7-8,11-12,15-20H2,1-6H3/t31-,32-,35-,36-,37+,38?/m1/s1
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n/an/an/an/a 2n/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)


Article DOI: 10.1016/j.bmcl.2005.06.100
BindingDB Entry DOI: 10.7270/Q2154GKK
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50172191
PNG
(3-[((4S,4aR)-6-Hydroxy-4a-methyl-1-(S)-methyl-1,2,...)
Show SMILES CCOC(=O)C12CC3CC(CC(C3)(C1)NC(=O)[C@@]1(C)CCC[C@@]3(C)[C@H]1CCc1ccc(O)cc31)C2 |TLB:8:9:13:6.7.12,3:5:10:7.12.8,THB:8:7:13:34.9.10,6:5:10:7.12.8,6:7:5.13.34:10|
Show InChI InChI=1S/C30H41NO4/c1-4-35-26(34)29-14-19-12-20(15-29)17-30(16-19,18-29)31-25(33)28(3)11-5-10-27(2)23-13-22(32)8-6-21(23)7-9-24(27)28/h6,8,13,19-20,24,32H,4-5,7,9-12,14-18H2,1-3H3,(H,31,33)/t19?,20?,24-,27-,28+,29?,30?/m1/s1
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n/an/an/an/a>1.00E+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)


Article DOI: 10.1016/j.bmcl.2005.06.100
BindingDB Entry DOI: 10.7270/Q2154GKK
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(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 |r,THB:22:23:26:30.21.29,22:21:24.23.28:26,29:21:24:28.27.26,29:27:24:30.22.21|
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)


Article DOI: 10.1016/j.bmcl.2005.06.100
BindingDB Entry DOI: 10.7270/Q2154GKK
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50167697
PNG
((4aR,9S)-6-Hydroxy-1,4a-dimethyl-1,2,3,4,4a,9,10,1...)
Show SMILES CC1(CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21)C(=O)NC(=O)[C@@]1(C)CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21
Show InChI InChI=1S/C34H43NO4/c1-31-15-5-17-33(3,27(31)13-9-21-7-11-23(36)19-25(21)31)29(38)35-30(39)34(4)18-6-16-32(2)26-20-24(37)12-8-22(26)10-14-28(32)34/h7-8,11-12,19-20,27-28,36-37H,5-6,9-10,13-18H2,1-4H3,(H,35,38,39)/t27-,28-,31-,32-,33+,34?/m1/s1
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n/an/an/an/a<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)


Article DOI: 10.1016/j.bmcl.2005.06.100
BindingDB Entry DOI: 10.7270/Q2154GKK
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50172194
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)OCCC=C
Show InChI InChI=1S/C21H28O3/c1-4-5-13-24-19(23)21(3)12-6-11-20(2)17-14-16(22)9-7-15(17)8-10-18(20)21/h4,7,9,14,18,22H,1,5-6,8,10-13H2,2-3H3/t18-,20-,21+/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 transactivation assay using a chimeric LXR construct in HEK293 cells for LXRalpha receptor

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


Article DOI: 10.1016/j.bmcl.2005.06.100
BindingDB Entry DOI: 10.7270/Q2154GKK
More data for this
Ligand-Target Pair
Oxysterols receptor 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>5.00E+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)


Article DOI: 10.1016/j.bmcl.2005.06.100
BindingDB Entry DOI: 10.7270/Q2154GKK
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(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 |r,THB:22:23:26:30.21.29,22:21:24.23.28:26,29:21:24:28.27.26,29:27:24:30.22.21|
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)


Article DOI: 10.1016/j.bmcl.2005.06.100
BindingDB Entry DOI: 10.7270/Q2154GKK
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(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)


Article DOI: 10.1016/j.bmcl.2005.06.100
BindingDB Entry DOI: 10.7270/Q2154GKK
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50172187
PNG
(1-Adamantan-1-yl-3-((1S,4aS,10aR)-1,4a-dimethyl-1,...)
Show SMILES C[C@@]1(CCC[C@@]2(C)[C@H]1CCc1ccccc21)C(=O)CC(=O)C12CC3CC(CC(C3)C1)C2 |TLB:24:25:29:22.23.28,THB:24:23:29:30.25.26,26:25:22:29.27.28,26:27:22:30.25.24|
Show InChI InChI=1S/C29H38O2/c1-27-10-5-11-28(2,24(27)9-8-22-6-3-4-7-23(22)27)25(30)15-26(31)29-16-19-12-20(17-29)14-21(13-19)18-29/h3-4,6-7,19-21,24H,5,8-18H2,1-2H3/t19?,20?,21?,24-,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)


Article DOI: 10.1016/j.bmcl.2005.06.100
BindingDB Entry DOI: 10.7270/Q2154GKK
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50172194
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)OCCC=C
Show InChI InChI=1S/C21H28O3/c1-4-5-13-24-19(23)21(3)12-6-11-20(2)17-14-16(22)9-7-15(17)8-10-18(20)21/h4,7,9,14,18,22H,1,5-6,8,10-13H2,2-3H3/t18-,20-,21+/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)


Article DOI: 10.1016/j.bmcl.2005.06.100
BindingDB Entry DOI: 10.7270/Q2154GKK
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50172201
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)OCC=C
Show InChI InChI=1S/C20H26O3/c1-4-12-23-18(22)20(3)11-5-10-19(2)16-13-15(21)8-6-14(16)7-9-17(19)20/h4,6,8,13,17,21H,1,5,7,9-12H2,2-3H3/t17-,19-,20+/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)


Article DOI: 10.1016/j.bmcl.2005.06.100
BindingDB Entry DOI: 10.7270/Q2154GKK
More data for this
Ligand-Target Pair
Oxysterols receptor 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 |TLB:19:20:26:24.23|
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)


Article DOI: 10.1016/j.bmcl.2005.06.100
BindingDB Entry DOI: 10.7270/Q2154GKK
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50172207
PNG
(Adamantane-1-carboxylic acid ((1S,4aS,10aR)-1,4a-d...)
Show SMILES C[C@@]1(CCC[C@@]2(C)[C@H]1CCc1ccccc21)C(=O)NC(=O)C12CC3CC(CC(C3)C1)C2 |TLB:24:25:29:22.23.28,THB:24:23:29:30.25.26,26:25:22:29.27.28,26:27:22:30.25.24|
Show InChI InChI=1S/C28H37NO2/c1-26-10-5-11-27(2,23(26)9-8-21-6-3-4-7-22(21)26)24(30)29-25(31)28-15-18-12-19(16-28)14-20(13-18)17-28/h3-4,6-7,18-20,23H,5,8-17H2,1-2H3,(H,29,30,31)/t18?,19?,20?,23-,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)


Article DOI: 10.1016/j.bmcl.2005.06.100
BindingDB Entry DOI: 10.7270/Q2154GKK
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(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 |THB:9:6:1:4|
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)


Article DOI: 10.1016/j.bmcl.2005.06.100
BindingDB Entry DOI: 10.7270/Q2154GKK
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(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 |TLB:25:26:30:23.24.29,THB:25:24:30:31.26.27,27:28:23:31.26.25,27:26:23:30.28.29|
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)


Article DOI: 10.1016/j.bmcl.2005.06.100
BindingDB Entry DOI: 10.7270/Q2154GKK
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%