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Compile Data Set for Download or QSAR

Found 4177 hits Enz. Inhib. hit(s) with Target = 'Retinoic acid receptor RXR-alpha'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Retinoid receptor


(Homo sapiens (Human))
BDBM50032225
PNG
(5-[(E)-2-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro...)
Show SMILES C\C(=C/c1cc(cs1)C(O)=O)c1cc2c(cc1C)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C23H28O2S/c1-14(9-17-11-16(13-26-17)21(24)25)18-12-20-19(10-15(18)2)22(3,4)7-8-23(20,5)6/h9-13H,7-8H2,1-6H3,(H,24,25)/b14-9+
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n/an/an/an/a>0.00100n/an/an/an/a



Allergan Inc

Curated by ChEMBL


Assay Description
Transcriptional activation of Retinoic acid receptor RAR beta


J Med Chem 38: 2820-9 (1995)


Article DOI: 10.1021/jm00015a004
BindingDB Entry DOI: 10.7270/Q2FN157S
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50032225
PNG
(5-[(E)-2-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro...)
Show SMILES C\C(=C/c1cc(cs1)C(O)=O)c1cc2c(cc1C)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C23H28O2S/c1-14(9-17-11-16(13-26-17)21(24)25)18-12-20-19(10-15(18)2)22(3,4)7-8-23(20,5)6/h9-13H,7-8H2,1-6H3,(H,24,25)/b14-9+
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n/an/an/an/a>0.00100n/an/an/an/a



Allergan Inc

Curated by ChEMBL


Assay Description
Transcriptional activation of Retinoic acid receptor RAR gamma


J Med Chem 38: 2820-9 (1995)


Article DOI: 10.1021/jm00015a004
BindingDB Entry DOI: 10.7270/Q2FN157S
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50032223
PNG
(4-[(E)-2-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro...)
Show SMILES C\C(=C/c1csc(c1)C(O)=O)c1cc2c(cc1C)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C23H28O2S/c1-14(9-16-11-20(21(24)25)26-13-16)17-12-19-18(10-15(17)2)22(3,4)7-8-23(19,5)6/h9-13H,7-8H2,1-6H3,(H,24,25)/b14-9+
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n/an/an/an/a>0.00100n/an/an/an/a



Allergan Inc

Curated by ChEMBL


Assay Description
Transcriptional activation of Retinoic acid receptor RAR gamma


J Med Chem 38: 2820-9 (1995)


Article DOI: 10.1021/jm00015a004
BindingDB Entry DOI: 10.7270/Q2FN157S
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50032218
PNG
(5-[(E)-2-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro...)
Show SMILES C\C(=C/c1ccc(o1)C(O)=O)c1cc2c(cc1C)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C23H28O3/c1-14(11-16-7-8-20(26-16)21(24)25)17-13-19-18(12-15(17)2)22(3,4)9-10-23(19,5)6/h7-8,11-13H,9-10H2,1-6H3,(H,24,25)/b14-11+
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n/an/an/an/a>0.00100n/an/an/an/a



Allergan Inc

Curated by ChEMBL


Assay Description
Transcriptional activation of Retinoic acid receptor RAR gamma


J Med Chem 38: 2820-9 (1995)


Article DOI: 10.1021/jm00015a004
BindingDB Entry DOI: 10.7270/Q2FN157S
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50032224
PNG
(3-[(E)-2-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro...)
Show SMILES C\C(=C/c1cccc(c1)C(O)=O)c1cc2c(cc1C)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C25H30O2/c1-16(12-18-8-7-9-19(14-18)23(26)27)20-15-22-21(13-17(20)2)24(3,4)10-11-25(22,5)6/h7-9,12-15H,10-11H2,1-6H3,(H,26,27)/b16-12+
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n/an/an/an/a>0.00100n/an/an/an/a



Allergan Inc

Curated by ChEMBL


Assay Description
Transcriptional activation of Retinoid X receptor RXR alpha


J Med Chem 38: 2820-9 (1995)


Article DOI: 10.1021/jm00015a004
BindingDB Entry DOI: 10.7270/Q2FN157S
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50032224
PNG
(3-[(E)-2-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro...)
Show SMILES C\C(=C/c1cccc(c1)C(O)=O)c1cc2c(cc1C)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C25H30O2/c1-16(12-18-8-7-9-19(14-18)23(26)27)20-15-22-21(13-17(20)2)24(3,4)10-11-25(22,5)6/h7-9,12-15H,10-11H2,1-6H3,(H,26,27)/b16-12+
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n/an/an/an/a>0.00100n/an/an/an/a



Allergan Inc

Curated by ChEMBL


Assay Description
Transcriptional activation of Retinoic acid receptor RAR gamma


J Med Chem 38: 2820-9 (1995)


Article DOI: 10.1021/jm00015a004
BindingDB Entry DOI: 10.7270/Q2FN157S
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM31883
PNG
(9-cis-retinoic acid (9cRA) | ALL-TRANS-RETINOIC AC...)
Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O
Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+
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n/an/an/an/a>0.00100n/an/an/an/a



Allergan Inc

Curated by ChEMBL


Assay Description
Transcriptional activation of Retinoid X receptor RXR alpha


J Med Chem 38: 2820-9 (1995)


Article DOI: 10.1021/jm00015a004
BindingDB Entry DOI: 10.7270/Q2FN157S
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50032218
PNG
(5-[(E)-2-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro...)
Show SMILES C\C(=C/c1ccc(o1)C(O)=O)c1cc2c(cc1C)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C23H28O3/c1-14(11-16-7-8-20(26-16)21(24)25)17-13-19-18(12-15(17)2)22(3,4)9-10-23(19,5)6/h7-8,11-13H,9-10H2,1-6H3,(H,24,25)/b14-11+
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n/an/an/an/a>0.00100n/an/an/an/a



Allergan Inc

Curated by ChEMBL


Assay Description
Transcriptional activation of Retinoic acid receptor RAR beta


J Med Chem 38: 2820-9 (1995)


Article DOI: 10.1021/jm00015a004
BindingDB Entry DOI: 10.7270/Q2FN157S
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50032219
PNG
((E)-4-(2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydrona...)
Show SMILES C\C(=C/c1ccc(cc1)C(O)=O)c1ccc2c(c1)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H28O2/c1-16(14-17-6-8-18(9-7-17)22(25)26)19-10-11-20-21(15-19)24(4,5)13-12-23(20,2)3/h6-11,14-15H,12-13H2,1-5H3,(H,25,26)/b16-14+
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n/an/an/an/a>0.00100n/an/an/an/a



Allergan Inc

Curated by ChEMBL


Assay Description
Transcriptional activation of Retinoid X receptor RXR alpha


J Med Chem 38: 2820-9 (1995)


Article DOI: 10.1021/jm00015a004
BindingDB Entry DOI: 10.7270/Q2FN157S
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50032224
PNG
(3-[(E)-2-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro...)
Show SMILES C\C(=C/c1cccc(c1)C(O)=O)c1cc2c(cc1C)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C25H30O2/c1-16(12-18-8-7-9-19(14-18)23(26)27)20-15-22-21(13-17(20)2)24(3,4)10-11-25(22,5)6/h7-9,12-15H,10-11H2,1-6H3,(H,26,27)/b16-12+
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n/an/an/an/a>0.00100n/an/an/an/a



Allergan Inc

Curated by ChEMBL


Assay Description
Transcriptional activation of Retinoic acid receptor RAR beta


J Med Chem 38: 2820-9 (1995)


Article DOI: 10.1021/jm00015a004
BindingDB Entry DOI: 10.7270/Q2FN157S
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50205233
PNG
((20S,22R)-22-methyl-1-alpha-25-dihydroxy-vitamin D...)
Show SMILES CC[C@H](CCC(C)(C)O)[C@H](C)[C@H]1CCC2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C
Show InChI InChI=1S/C29H48O3/c1-7-21(14-16-28(4,5)32)19(2)25-12-13-26-22(9-8-15-29(25,26)6)10-11-23-17-24(30)18-27(31)20(23)3/h10-11,19,21,24-27,30-32H,3,7-9,12-18H2,1-2,4-6H3/b22-10+,23-11-/t19-,21+,24+,25+,26?,27-,29+/m0/s1
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n/an/an/an/a 0.00200n/an/an/an/a



Tokyo Medical and Dental University

Curated by ChEMBL


Assay Description
Induction of transactivation of human VDR responsive gene in COS7 cells by rat osteopontin luciferase reporter gene assay


J Med Chem 50: 932-9 (2007)


Article DOI: 10.1021/jm060889f
BindingDB Entry DOI: 10.7270/Q2Z320FX
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50205234
PNG
((20S,22R)-22-methyl-1-alpha-25-dihydroxy-vitamin D...)
Show SMILES C[C@H](CCC(C)(C)O)[C@H](C)[C@H]1CCC2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C
Show InChI InChI=1S/C28H46O3/c1-18(13-15-27(4,5)31)19(2)24-11-12-25-21(8-7-14-28(24,25)6)9-10-22-16-23(29)17-26(30)20(22)3/h9-10,18-19,23-26,29-31H,3,7-8,11-17H2,1-2,4-6H3/b21-9+,22-10-/t18-,19+,23-,24-,25?,26+,28-/m1/s1
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n/an/an/an/a 0.00300n/an/an/an/a



Tokyo Medical and Dental University

Curated by ChEMBL


Assay Description
Induction of transactivation of human VDR responsive gene in COS7 cells by rat osteopontin luciferase reporter gene assay


J Med Chem 50: 932-9 (2007)


Article DOI: 10.1021/jm060889f
BindingDB Entry DOI: 10.7270/Q2Z320FX
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50200182
PNG
((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...)
Show SMILES C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C
Show InChI InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1
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n/an/an/an/a 0.0100n/an/an/an/a



National Institute of Health Sciences

Curated by ChEMBL


Assay Description
Activity at human VDR expressed in human HOS cells transfected with pGL3-hOc, pCDNA-hVDR and phRL-TK assessed as assessed as transcriptional activati...


Bioorg Med Chem Lett 21: 6104-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.047
BindingDB Entry DOI: 10.7270/Q29C6XTD
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50437338
PNG
(CHEMBL2407821)
Show SMILES C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)[C@H](CCn2ncnn2)[C@H](O)C1=C
Show InChI InChI=1S/C30H48N4O3/c1-20(8-6-15-29(3,4)37)25-12-13-26-22(9-7-16-30(25,26)5)10-11-23-18-27(35)24(28(36)21(23)2)14-17-34-32-19-31-33-34/h10-11,19-20,24-28,35-37H,2,6-9,12-18H2,1,3-5H3/b22-10+,23-11-/t20-,24+,25-,26+,27-,28-,30-/m1/s1
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n/an/an/an/a 0.0100n/an/an/an/a



Teikyo University

Curated by ChEMBL


Assay Description
Transactivation of VDR-mediated osteocalcin promoter in human HOS/SF cells after 24 hrs by luciferase reporter gene assay


ACS Med Chem Lett 4: 671-4 (2013)


Article DOI: 10.1021/ml400098w
BindingDB Entry DOI: 10.7270/Q2959JX8
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50200182
PNG
((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...)
Show SMILES C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C
Show InChI InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1
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n/an/an/an/a 0.0106n/an/an/an/a



National Institute of Health Sciences

Curated by ChEMBL


Assay Description
Effect on VDR transcriptional activity in human osteosarcoma cells


Bioorg Med Chem Lett 18: 120-3 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.007
BindingDB Entry DOI: 10.7270/Q2Q2414J
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha/Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50200182
PNG
((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...)
Show SMILES C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C
Show InChI InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1
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n/an/an/an/a 0.0110n/an/an/an/a



National Institute of Health Sciences

Curated by ChEMBL


Assay Description
Agonist activity at human VDR expressed in HOS cells co-expressing human RXR by Dual-Glo luciferase reporter gene assay


Bioorg Med Chem 26: 6146-6152 (2018)


Article DOI: 10.1016/j.bmc.2018.11.008
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50292706
PNG
((1R,3R,7E,17beta)-17-{(1R,2E,4R)-4-hydroxy-1-methy...)
Show SMILES C[C@H](\C=C\[C@@H](O)C12CC3CC(CC(C3)C1)C2)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1C[C@@H](O)C(=C)[C@H](O)C1
Show InChI InChI=1S/C34H50O3/c1-21(6-11-32(37)34-18-24-13-25(19-34)15-26(14-24)20-34)28-9-10-29-27(5-4-12-33(28,29)3)8-7-23-16-30(35)22(2)31(36)17-23/h6-8,11,21,24-26,28-32,35-37H,2,4-5,9-10,12-20H2,1,3H3/b11-6+,27-8+/t21-,24?,25?,26?,28-,29+,30-,31-,32-,33-,34?/m1/s1
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n/an/an/an/a 0.0200n/an/an/an/a



Tokyo Medical and Dental University

Curated by ChEMBL


Assay Description
Agonist activity at VDR assessed as receptor transactivation by transient transcription assay


J Med Chem 51: 5320-9 (2008)


Article DOI: 10.1021/jm8004477
BindingDB Entry DOI: 10.7270/Q28C9W2Z
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50200182
PNG
((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...)
Show SMILES C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C
Show InChI InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1
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n/an/an/an/a 0.0260n/an/an/an/a



Teikyo University

Curated by ChEMBL


Assay Description
Transactivation of VDR-mediated osteocalcin promoter in human HOS/SF cells after 24 hrs by luciferase reporter gene assay


ACS Med Chem Lett 4: 671-4 (2013)


Article DOI: 10.1021/ml400098w
BindingDB Entry DOI: 10.7270/Q2959JX8
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50281390
PNG
(CHEMBL4159525)
Show SMILES C[C@H](CC#C[C@@H](O)C12CC3CC(CC(C3)C1)C2)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C
Show InChI InChI=1S/C35H50O3/c1-22(6-4-8-33(38)35-19-24-14-25(20-35)16-26(15-24)21-35)30-11-12-31-27(7-5-13-34(30,31)3)9-10-28-17-29(36)18-32(37)23(28)2/h9-10,22,24-26,29-33,36-38H,2,5-7,11-21H2,1,3H3/b27-9+,28-10-/t22-,24?,25?,26?,29-,30-,31+,32+,33-,34-,35?/m1/s1
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n/an/an/an/a 0.0300n/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Transactivation of VDR (unknown origin) expressed in HEK293 cells harboring TK-Spp X 3-LUC reporter plasmid after 24 hrs by luciferase reporter gene ...


J Med Chem 61: 6658-6673 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00427
BindingDB Entry DOI: 10.7270/Q2M04801
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50329706
PNG
((2S)-3-{4-[1-ethyl-1-(4-{[(2R)-2-hydroxy-3,3-dimet...)
Show SMILES CCC(CC)(c1ccc(OC[C@@H](O)CO)c(C)c1)c1ccc(OC[C@H](O)C(C)(C)C)c(C)c1
Show InChI InChI=1S/C28H42O5/c1-8-28(9-2,21-10-12-24(19(3)14-21)32-17-23(30)16-29)22-11-13-25(20(4)15-22)33-18-26(31)27(5,6)7/h10-15,23,26,29-31H,8-9,16-18H2,1-7H3/t23-,26-/m0/s1
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n/an/an/an/a 0.0396n/an/an/an/a



National Institute of Health Sciences

Curated by ChEMBL


Assay Description
Effect on VDR transcriptional activity in human osteosarcoma cells


Bioorg Med Chem Lett 18: 120-3 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.007
BindingDB Entry DOI: 10.7270/Q2Q2414J
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha/Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50329706
PNG
((2S)-3-{4-[1-ethyl-1-(4-{[(2R)-2-hydroxy-3,3-dimet...)
Show SMILES CCC(CC)(c1ccc(OC[C@@H](O)CO)c(C)c1)c1ccc(OC[C@H](O)C(C)(C)C)c(C)c1
Show InChI InChI=1S/C28H42O5/c1-8-28(9-2,21-10-12-24(19(3)14-21)32-17-23(30)16-29)22-11-13-25(20(4)15-22)33-18-26(31)27(5,6)7/h10-15,23,26,29-31H,8-9,16-18H2,1-7H3/t23-,26-/m0/s1
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n/an/an/an/a 0.0400n/an/an/an/a



National Institute of Health Sciences

Curated by ChEMBL


Assay Description
Agonist activity at human VDR expressed in HOS cells co-expressing human RXR by Dual-Glo luciferase reporter gene assay


Bioorg Med Chem 26: 6146-6152 (2018)


Article DOI: 10.1016/j.bmc.2018.11.008
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50329706
PNG
((2S)-3-{4-[1-ethyl-1-(4-{[(2R)-2-hydroxy-3,3-dimet...)
Show SMILES CCC(CC)(c1ccc(OC[C@@H](O)CO)c(C)c1)c1ccc(OC[C@H](O)C(C)(C)C)c(C)c1
Show InChI InChI=1S/C28H42O5/c1-8-28(9-2,21-10-12-24(19(3)14-21)32-17-23(30)16-29)22-11-13-25(20(4)15-22)33-18-26(31)27(5,6)7/h10-15,23,26,29-31H,8-9,16-18H2,1-7H3/t23-,26-/m0/s1
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n/an/an/an/a 0.0400n/an/an/an/a



National Institute of Health Sciences

Curated by ChEMBL


Assay Description
Activity at human VDR expressed in human HOS cells transfected with pGL3-hOc, pCDNA-hVDR and phRL-TK assessed as assessed as transcriptional activati...


Bioorg Med Chem Lett 21: 6104-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.047
BindingDB Entry DOI: 10.7270/Q29C6XTD
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50437335
PNG
(CHEMBL2407824)
Show SMILES C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)[C@H](CCn2nccn2)[C@H](O)C1=C
Show InChI InChI=1S/C31H49N3O3/c1-21(8-6-15-30(3,4)37)26-12-13-27-23(9-7-16-31(26,27)5)10-11-24-20-28(35)25(29(36)22(24)2)14-19-34-32-17-18-33-34/h10-11,17-18,21,25-29,35-37H,2,6-9,12-16,19-20H2,1,3-5H3/b23-10+,24-11-/t21-,25+,26-,27+,28-,29-,31-/m1/s1
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n/an/an/an/a 0.0440n/an/an/an/a



Teikyo University

Curated by ChEMBL


Assay Description
Transactivation of VDR-mediated osteocalcin promoter in human HOS/SF cells after 24 hrs by luciferase reporter gene assay


ACS Med Chem Lett 4: 671-4 (2013)


Article DOI: 10.1021/ml400098w
BindingDB Entry DOI: 10.7270/Q2959JX8
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50354990
PNG
(CHEMBL1834893)
Show SMILES CCC(CC)(c1ccc(OC[C@H](O)C(C)(C)C)c(C)c1)c1ccc(O[C@@H](CO)CCO)c(C)c1
Show InChI InChI=1S/C29H44O5/c1-8-29(9-2,23-11-13-26(21(4)17-23)34-24(18-31)14-15-30)22-10-12-25(20(3)16-22)33-19-27(32)28(5,6)7/h10-13,16-17,24,27,30-32H,8-9,14-15,18-19H2,1-7H3/t24-,27+/m1/s1
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n/an/an/an/a 0.0600n/an/an/an/a



National Institute of Health Sciences

Curated by ChEMBL


Assay Description
Activity at human VDR expressed in human HOS cells transfected with pGL3-hOc, pCDNA-hVDR and phRL-TK assessed as assessed as transcriptional activati...


Bioorg Med Chem Lett 21: 6104-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.047
BindingDB Entry DOI: 10.7270/Q29C6XTD
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha/gamma


(Homo sapiens (Human))
BDBM323587
PNG
(4-[(E)-2-(5,6,7,8-Tetrahydro-5,5,8,8-tetramethyl-2...)
Show SMILES CC(=Cc1ccc(cc1)C(O)=O)c1ccc2c(c1)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H28O2/c1-16(14-17-6-8-18(9-7-17)22(25)26)19-10-11-20-21(15-19)24(4,5)13-12-23(20,2)3/h6-11,14-15H,12-13H2,1-5H3,(H,25,26)/b16-14-
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US Patent
n/an/an/an/a 0.0650n/an/an/an/a



ACUCELA INC.

US Patent


Assay Description
Retinoid nuclear receptor activity is associated with transduction of the non-visual physiologic, pharmacologic, and toxicologic retinoid signals tha...


US Patent US10188615 (2019)


BindingDB Entry DOI: 10.7270/Q2NP26HC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50200182
PNG
((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...)
Show SMILES C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C
Show InChI InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1
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n/an/an/an/a 0.0700n/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Transactivation of VP16-tagged VDR (unknown origin) expressed in HEK293 cells harboring pCMX-GAL4-RXRalpha and MH100(UAS) X 4tk-LUC reporter plasmid ...


J Med Chem 61: 6658-6673 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00427
BindingDB Entry DOI: 10.7270/Q2M04801
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50015318
PNG
(CHEMBL3263871)
Show SMILES C[C@H](CC#C[C@@H](O)C12CC3CC(CC(C3)C1)C2)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1C[C@@H](O)C(=C)[C@H](O)C1
Show InChI InChI=1S/C35H50O3/c1-22(6-4-8-33(38)35-19-25-14-26(20-35)16-27(15-25)21-35)29-11-12-30-28(7-5-13-34(29,30)3)10-9-24-17-31(36)23(2)32(37)18-24/h9-10,22,25-27,29-33,36-38H,2,5-7,11-21H2,1,3H3/b28-10+/t22-,25?,26?,27?,29-,30+,31-,32-,33-,34-,35?/m1/s1
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n/an/an/an/a 0.0700n/an/an/an/a



Rikkyo University

Curated by ChEMBL


Assay Description
Transactivation of human VDR expressed in HEK293 cells cotransfected with mouse VDRE, Tk-Sppx3-LUC reporter plasmid measured after 24 hrs by lucifera...


J Med Chem 57: 4073-87 (2014)


Article DOI: 10.1021/jm401989c
BindingDB Entry DOI: 10.7270/Q2ZS2Z2G
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50198707
PNG
((2E)-(20S)-1alpha,25-dihydroxy-2-[2''-(fluoroethyl...)
Show SMILES C[C@@H](CCCC(C)(C)O)C1CCC2\C(CCCC12C)=C\C=C1C[C@@H](O)C(=CCF)[C@H](O)C1
Show InChI InChI=1S/C28H45FO3/c1-19(7-5-14-27(2,3)32)23-11-12-24-21(8-6-15-28(23,24)4)10-9-20-17-25(30)22(13-16-29)26(31)18-20/h9-10,13,19,23-26,30-32H,5-8,11-12,14-18H2,1-4H3/b20-9-,21-10+,22-13-/t19-,23?,24?,25+,26+,28?/m0/s1
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n/an/an/an/a 0.0700n/an/an/an/a



Tokyo Medical and Dental University

Curated by ChEMBL


Assay Description
Inhibition of human VDR induced-transcriptional transactivation of luciferase reporter gene in COS7 cells after 24 hrs


Bioorg Med Chem 15: 1475-82 (2007)


Article DOI: 10.1016/j.bmc.2006.10.069
BindingDB Entry DOI: 10.7270/Q2TT4QK5
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50200182
PNG
((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...)
Show SMILES C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C
Show InChI InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1
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n/an/an/an/a 0.120n/an/an/an/a



Rikkyo University

Curated by ChEMBL


Assay Description
Agonist activity at VDR in human HEK293 cells assessed as transcriptional activity after 16 to 24 hrs by luciferase reporter gene assay


J Med Chem 58: 9510-21 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00792
BindingDB Entry DOI: 10.7270/Q22V2HZC
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50281390
PNG
(CHEMBL4159525)
Show SMILES C[C@H](CC#C[C@@H](O)C12CC3CC(CC(C3)C1)C2)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C
Show InChI InChI=1S/C35H50O3/c1-22(6-4-8-33(38)35-19-24-14-25(20-35)16-26(15-24)21-35)30-11-12-31-27(7-5-13-34(30,31)3)9-10-28-17-29(36)18-32(37)23(28)2/h9-10,22,24-26,29-33,36-38H,2,5-7,11-21H2,1,3H3/b27-9+,28-10-/t22-,24?,25?,26?,29-,30-,31+,32+,33-,34-,35?/m1/s1
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n/an/an/an/a 0.140n/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Transactivation of VP16-tagged VDR (unknown origin) expressed in HEK293 cells harboring pCMX-GAL4-RXRalpha and MH100(UAS) X 4tk-LUC reporter plasmid ...


J Med Chem 61: 6658-6673 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00427
BindingDB Entry DOI: 10.7270/Q2M04801
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50437336
PNG
(CHEMBL2407823)
Show SMILES C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)[C@H](CCn2cncn2)[C@H](O)C1=C
Show InChI InChI=1S/C31H49N3O3/c1-21(8-6-15-30(3,4)37)26-12-13-27-23(9-7-16-31(26,27)5)10-11-24-18-28(35)25(29(36)22(24)2)14-17-34-20-32-19-33-34/h10-11,19-21,25-29,35-37H,2,6-9,12-18H2,1,3-5H3/b23-10+,24-11-/t21-,25+,26-,27+,28-,29-,31-/m1/s1
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n/an/an/an/a 0.150n/an/an/an/a



Teikyo University

Curated by ChEMBL


Assay Description
Transactivation of VDR-mediated osteocalcin promoter in human HOS/SF cells after 24 hrs by luciferase reporter gene assay


ACS Med Chem Lett 4: 671-4 (2013)


Article DOI: 10.1021/ml400098w
BindingDB Entry DOI: 10.7270/Q2959JX8
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50143770
PNG
((1R,3S)-5-[2-[(3aS,7aR)-1-((R)-5-Hydroxy-1,5-dimet...)
Show SMILES C[C@H](CCCC(C)(C)O)C1CC[C@@]2(C)\C(CCC[C@]12C)=C/C=C1\C[C@@H](O)C[C@H](O)C1=C
Show InChI InChI=1S/C28H46O3/c1-19(9-7-14-26(3,4)31)24-13-16-27(5)22(10-8-15-28(24,27)6)12-11-21-17-23(29)18-25(30)20(21)2/h11-12,19,23-25,29-31H,2,7-10,13-18H2,1,3-6H3/b21-11+,22-12-/t19-,23-,24?,25+,27+,28-/m1/s1
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n/an/an/an/a 0.180n/an/an/an/a



Institute of Genetics and Molecular and Cellular Biology (IGBMC)

Curated by ChEMBL


Assay Description
Effective concentration required for inhibition of Vitamin D3 receptor


J Med Chem 47: 1956-61 (2004)


Article DOI: 10.1021/jm0310582
BindingDB Entry DOI: 10.7270/Q2Q81CHJ
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50205235
PNG
((20S,22R)-22-methyl-1-alpha-25-dihydroxy-vitamin D...)
Show SMILES CCCC[C@H](CCC(C)(C)O)[C@H](C)[C@H]1CCC2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C
Show InChI InChI=1S/C31H52O3/c1-7-8-10-23(16-18-30(4,5)34)21(2)27-14-15-28-24(11-9-17-31(27,28)6)12-13-25-19-26(32)20-29(33)22(25)3/h12-13,21,23,26-29,32-34H,3,7-11,14-20H2,1-2,4-6H3/b24-12+,25-13-/t21-,23+,26+,27+,28?,29-,31+/m0/s1
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n/an/an/an/a 0.200n/an/an/an/a



Tokyo Medical and Dental University

Curated by ChEMBL


Assay Description
Induction of transactivation of human VDR responsive gene in COS7 cells by rat osteopontin luciferase reporter gene assay


J Med Chem 50: 932-9 (2007)


Article DOI: 10.1021/jm060889f
BindingDB Entry DOI: 10.7270/Q2Z320FX
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50101445
PNG
((2E,4E)-3-Methyl-5-[(1S,2S)-2-methyl-2-(5,5,8,8-te...)
Show SMILES C\C(\C=C\[C@@H]1C[C@]1(C)c1ccc2c(c1)C(C)(C)CCC2(C)C)=C/C(O)=O
Show InChI InChI=1S/C24H32O2/c1-16(13-21(25)26)7-8-18-15-24(18,6)17-9-10-19-20(14-17)23(4,5)12-11-22(19,2)3/h7-10,13-14,18H,11-12,15H2,1-6H3,(H,25,26)/b8-7+,16-13+/t18-,24-/m1/s1
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n/an/an/an/a 0.200n/an/an/an/a



Allergan Inc

Curated by ChEMBL


Assay Description
Transcriptional activation in CV-1 cells expressing retinoid X receptor RXR alpha


J Med Chem 44: 2298-303 (2001)


Article DOI: 10.1021/jm0100584
BindingDB Entry DOI: 10.7270/Q2P84B41
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM31883
PNG
(9-cis-retinoic acid (9cRA) | ALL-TRANS-RETINOIC AC...)
Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O
Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+
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n/an/an/an/a 0.200n/an/an/an/a



University of Lille

Curated by ChEMBL


Assay Description
Activity at human RARgamma ligand binding domain expressed in COS7 cells cotransfected with Gal4-DBD assessed as transcriptional activation after 16 ...


Bioorg Med Chem Lett 19: 489-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.040
BindingDB Entry DOI: 10.7270/Q2GF0TC9
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50030475
PNG
(7-Dehydrocholesterol | CHEBI:28940 | CHOLECALCIFER...)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C
Show InChI InChI=1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h12-13,19,21,24-26,28H,3,6-11,14-18H2,1-2,4-5H3/b22-12+,23-13-/t21-,24+,25-,26+,27-/m1/s1
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n/an/an/an/a 0.210n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at human VDR expressed in HEK293 cells by luciferase reporter gene assay


Bioorg Med Chem Lett 24: 5265-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.053
BindingDB Entry DOI: 10.7270/Q2S46TKZ
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50437334
PNG
(CHEMBL2407825)
Show SMILES C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)[C@H](CCn2ccnn2)[C@H](O)C1=C
Show InChI InChI=1S/C31H49N3O3/c1-21(8-6-15-30(3,4)37)26-12-13-27-23(9-7-16-31(26,27)5)10-11-24-20-28(35)25(29(36)22(24)2)14-18-34-19-17-32-33-34/h10-11,17,19,21,25-29,35-37H,2,6-9,12-16,18,20H2,1,3-5H3/b23-10+,24-11-/t21-,25+,26-,27+,28-,29-,31-/m1/s1
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n/an/an/an/a 0.210n/an/an/an/a



Teikyo University

Curated by ChEMBL


Assay Description
Transactivation of VDR-mediated osteocalcin promoter in human HOS/SF cells after 24 hrs by luciferase reporter gene assay


ACS Med Chem Lett 4: 671-4 (2013)


Article DOI: 10.1021/ml400098w
BindingDB Entry DOI: 10.7270/Q2959JX8
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha/gamma


(Homo sapiens (Human))
BDBM50457552
PNG
(CHEMBL4210595)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)-c1cc(ccc1OCCCO)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C30H34O4/c1-29(2)14-15-30(3,4)26-19-23(10-12-25(26)29)24-18-22(11-13-27(24)34-17-5-16-31)20-6-8-21(9-7-20)28(32)33/h6-13,18-19,31H,5,14-17H2,1-4H3,(H,32,33)
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n/an/an/an/a 0.220n/an/an/an/a



Nestle Skin Health

Curated by ChEMBL


Assay Description
Agonist activity at GAL4 DNA-binding domain-tagged RARgamma (unknown origin) ligand-binding domain expressed in human HG5LN cells incubated for 18 hr...


Bioorg Med Chem Lett 28: 1736-1741 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.036
BindingDB Entry DOI: 10.7270/Q2N300JQ
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50437337
PNG
(CHEMBL2407822)
Show SMILES C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)[C@H](CCn2cnnn2)[C@H](O)C1=C
Show InChI InChI=1S/C30H48N4O3/c1-20(8-6-15-29(3,4)37)25-12-13-26-22(9-7-16-30(25,26)5)10-11-23-18-27(35)24(28(36)21(23)2)14-17-34-19-31-32-33-34/h10-11,19-20,24-28,35-37H,2,6-9,12-18H2,1,3-5H3/b22-10+,23-11-/t20-,24+,25-,26+,27-,28-,30-/m1/s1
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n/an/an/an/a 0.290n/an/an/an/a



Teikyo University

Curated by ChEMBL


Assay Description
Transactivation of VDR-mediated osteocalcin promoter in human HOS/SF cells after 24 hrs by luciferase reporter gene assay


ACS Med Chem Lett 4: 671-4 (2013)


Article DOI: 10.1021/ml400098w
BindingDB Entry DOI: 10.7270/Q2959JX8
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha/Retinoic acid receptor beta


(Homo sapiens (Human))
BDBM323587
PNG
(4-[(E)-2-(5,6,7,8-Tetrahydro-5,5,8,8-tetramethyl-2...)
Show SMILES CC(=Cc1ccc(cc1)C(O)=O)c1ccc2c(c1)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H28O2/c1-16(14-17-6-8-18(9-7-17)22(25)26)19-10-11-20-21(15-19)24(4,5)13-12-23(20,2)3/h6-11,14-15H,12-13H2,1-5H3,(H,25,26)/b16-14-
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n/an/an/an/a 0.300n/an/an/an/a



ACUCELA INC.

US Patent


Assay Description
Retinoid nuclear receptor activity is associated with transduction of the non-visual physiologic, pharmacologic, and toxicologic retinoid signals tha...


US Patent US10188615 (2019)


BindingDB Entry DOI: 10.7270/Q2NP26HC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50200182
PNG
((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...)
Show SMILES C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C
Show InChI InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1
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n/an/an/an/a 0.300n/an/an/an/a



Palacky University in Olomouc

Curated by ChEMBL


Assay Description
Agonist activity at VDR expressed in human HuH7 cells after 24 hrs by pDR3-luciferase reporter gene assay


J Med Chem 59: 4601-10 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01891
BindingDB Entry DOI: 10.7270/Q2D220JZ
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50265920
PNG
(4-((5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthal...)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C#Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C23H24O2/c1-22(2)13-14-23(3,4)20-15-17(9-12-19(20)22)6-5-16-7-10-18(11-8-16)21(24)25/h7-12,15H,13-14H2,1-4H3,(H,24,25)
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n/an/an/an/a 0.300n/an/an/an/a



University of Lille

Curated by ChEMBL


Assay Description
Activity at human RARbeta ligand binding domain expressed in COS7 cells cotransfected with Gal4-DBD assessed as transcriptional activation after 16 h...


Bioorg Med Chem Lett 19: 489-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.040
BindingDB Entry DOI: 10.7270/Q2GF0TC9
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50409927
PNG
(CHEMBL2112315)
Show SMILES CCOC(=O)\C=C\C1(CC1)[C@H](O)\C=C\[C@@H](C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C
Show InChI InChI=1S/C32H46O5/c1-5-37-30(36)14-16-32(17-18-32)29(35)13-8-21(2)26-11-12-27-23(7-6-15-31(26,27)4)9-10-24-19-25(33)20-28(34)22(24)3/h8-10,13-14,16,21,25-29,33-35H,3,5-7,11-12,15,17-20H2,1-2,4H3/b13-8+,16-14+,23-9+,24-10-/t21-,25-,26-,27+,28+,29-,31-/m1/s1
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n/an/an/an/a 0.350n/an/an/an/a



Institute of Genetics and Molecular and Cellular Biology (IGBMC)

Curated by ChEMBL


Assay Description
Effective concentration required for inhibition of Vitamin D3 receptor


J Med Chem 47: 1956-61 (2004)


Article DOI: 10.1021/jm0310582
BindingDB Entry DOI: 10.7270/Q2Q81CHJ
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50282692
PNG
(4-[(E)-2-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-n...)
Show SMILES CC1(C)CCC(C)(C)c2cc(\C=C\c3ccc(cc3)C(O)=O)ccc12
Show InChI InChI=1S/C23H26O2/c1-22(2)13-14-23(3,4)20-15-17(9-12-19(20)22)6-5-16-7-10-18(11-8-16)21(24)25/h5-12,15H,13-14H2,1-4H3,(H,24,25)/b6-5+
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n/an/an/an/a 0.400n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Transcriptional activation for RAR gamma receptor


Bioorg Med Chem Lett 4: 1447-1452 (1994)


Article DOI: 10.1016/S0960-894X(01)80511-4
BindingDB Entry DOI: 10.7270/Q2B8582K
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50409926
PNG
(CHEMBL2112314)
Show SMILES CCCCOC(=O)C1(CC1)[C@H](O)\C=C\[C@@H](C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C
Show InChI InChI=1S/C32H48O5/c1-5-6-18-37-30(36)32(16-17-32)29(35)14-9-21(2)26-12-13-27-23(8-7-15-31(26,27)4)10-11-24-19-25(33)20-28(34)22(24)3/h9-11,14,21,25-29,33-35H,3,5-8,12-13,15-20H2,1-2,4H3/b14-9+,23-10+,24-11-/t21-,25-,26-,27+,28+,29-,31-/m1/s1
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n/an/an/an/a 0.400n/an/an/an/a



Institute of Genetics and Molecular and Cellular Biology (IGBMC)

Curated by ChEMBL


Assay Description
Effective concentration required for inhibition of Vitamin D3 receptor


J Med Chem 47: 1956-61 (2004)


Article DOI: 10.1021/jm0310582
BindingDB Entry DOI: 10.7270/Q2Q81CHJ
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50282691
PNG
(4-[(E)-2-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro...)
Show SMILES Cc1cc2c(cc1\C=C\c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H28O2/c1-16-14-20-21(24(4,5)13-12-23(20,2)3)15-19(16)11-8-17-6-9-18(10-7-17)22(25)26/h6-11,14-15H,12-13H2,1-5H3,(H,25,26)/b11-8+
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n/an/an/an/a 0.400n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Transcriptional activation for RAR beta receptor


Bioorg Med Chem Lett 4: 1447-1452 (1994)


Article DOI: 10.1016/S0960-894X(01)80511-4
BindingDB Entry DOI: 10.7270/Q2B8582K
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50015318
PNG
(CHEMBL3263871)
Show SMILES C[C@H](CC#C[C@@H](O)C12CC3CC(CC(C3)C1)C2)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1C[C@@H](O)C(=C)[C@H](O)C1
Show InChI InChI=1S/C35H50O3/c1-22(6-4-8-33(38)35-19-25-14-26(20-35)16-27(15-25)21-35)29-11-12-30-28(7-5-13-34(29,30)3)10-9-24-17-31(36)23(2)32(37)18-24/h9-10,22,25-27,29-33,36-38H,2,5-7,11-21H2,1,3H3/b28-10+/t22-,25?,26?,27?,29-,30+,31-,32-,33-,34-,35?/m1/s1
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n/an/an/an/a 0.400n/an/an/an/a



Rikkyo University

Curated by ChEMBL


Assay Description
Activation of human VDR expressed in HEK293 cells cotransfected CMX-GAL4-N-CoR and 4-tk-LUC assessed as inhibition of N-CoR binding to VDR by mammali...


J Med Chem 57: 4073-87 (2014)


Article DOI: 10.1021/jm401989c
BindingDB Entry DOI: 10.7270/Q2ZS2Z2G
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50045276
PNG
(4-[(E)-1-Methyl-2-(5,5,8,8-tetramethyl-5,6,7,8-tet...)
Show SMILES C\C(=C/c1ccc2c(c1)C(C)(C)CCC2(C)C)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C24H28O2/c1-16(18-7-9-19(10-8-18)22(25)26)14-17-6-11-20-21(15-17)24(4,5)13-12-23(20,2)3/h6-11,14-15H,12-13H2,1-5H3,(H,25,26)/b16-14+
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n/an/an/an/a 0.400n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Transcriptional activation for RAR gamma receptor


Bioorg Med Chem Lett 4: 1447-1452 (1994)


Article DOI: 10.1016/S0960-894X(01)80511-4
BindingDB Entry DOI: 10.7270/Q2B8582K
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50282692
PNG
(4-[(E)-2-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-n...)
Show SMILES CC1(C)CCC(C)(C)c2cc(\C=C\c3ccc(cc3)C(O)=O)ccc12
Show InChI InChI=1S/C23H26O2/c1-22(2)13-14-23(3,4)20-15-17(9-12-19(20)22)6-5-16-7-10-18(11-8-16)21(24)25/h5-12,15H,13-14H2,1-4H3,(H,24,25)/b6-5+
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n/an/an/an/a 0.400n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Transcriptional activation for RAR beta receptor


Bioorg Med Chem Lett 4: 1447-1452 (1994)


Article DOI: 10.1016/S0960-894X(01)80511-4
BindingDB Entry DOI: 10.7270/Q2B8582K
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50015318
PNG
(CHEMBL3263871)
Show SMILES C[C@H](CC#C[C@@H](O)C12CC3CC(CC(C3)C1)C2)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1C[C@@H](O)C(=C)[C@H](O)C1
Show InChI InChI=1S/C35H50O3/c1-22(6-4-8-33(38)35-19-25-14-26(20-35)16-27(15-25)21-35)29-11-12-30-28(7-5-13-34(29,30)3)10-9-24-17-31(36)23(2)32(37)18-24/h9-10,22,25-27,29-33,36-38H,2,5-7,11-21H2,1,3H3/b28-10+/t22-,25?,26?,27?,29-,30+,31-,32-,33-,34-,35?/m1/s1
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PubMed
n/an/an/an/a 0.5n/an/an/an/a



Rikkyo University

Curated by ChEMBL


Assay Description
Activation of human VDR expressed in HEK293 cells cotransfected CMX-GAL4-NCoR2 and 4-tk-LUC assessed as inhibition of NCoR2 binding to VDR by mammali...


J Med Chem 57: 4073-87 (2014)


Article DOI: 10.1021/jm401989c
BindingDB Entry DOI: 10.7270/Q2ZS2Z2G
More data for this
Ligand-Target Pair
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