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Compile Data Set for Download or QSAR

Found 587 hits Enz. Inhib. hit(s) with Target = 'Retinoic acid receptor RXR-alpha/Retinoic acid receptor beta'   
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))
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
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))
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
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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US Patent
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)
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
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
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
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 0.5n/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
Retinoid receptor


(Homo sapiens (Human))
BDBM50265951
PNG
(CHEMBL1657 | TAZAROTENE | US9963439, Tazarotene | ...)
Show SMILES CCOC(=O)c1ccc(nc1)C#Cc1ccc2SCCC(C)(C)c2c1
Show InChI InChI=1S/C21H21NO2S/c1-4-24-20(23)16-7-9-17(22-14-16)8-5-15-6-10-19-18(13-15)21(2,3)11-12-25-19/h6-7,9-10,13-14H,4,11-12H2,1-3H3
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n/an/an/an/a 0.800n/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
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 1n/an/an/an/a



Allergan Inc

Curated by ChEMBL


Assay Description
Transcriptional activation in CV-1 cells expressing Retinoic acid receptor RAR beta


J Med Chem 38: 4764-7 (1996)


Article DOI: 10.1021/jm00024a003
BindingDB Entry DOI: 10.7270/Q22N5194
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 1n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for functional activity in CV-1 cells transfected with an expression vector for retinoic acid receptor beta using transactivation...


Bioorg Med Chem Lett 6: 213-218 (1996)


Article DOI: 10.1016/0960-894X(95)00588-K
BindingDB Entry DOI: 10.7270/Q2BC3ZHZ
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 1.5n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Transcriptional activation of retinoic acid receptor RAR beta


Bioorg Med Chem Lett 5: 523-527 (1995)


Article DOI: 10.1016/0960-894X(95)00065-2
BindingDB Entry DOI: 10.7270/Q20G3K4D
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 1.5n/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
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 1.5n/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))
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 1.5n/an/an/an/a



Università di Ferrara

Curated by ChEMBL


Assay Description
Transcriptional activation of Retinoic acid receptor RAR beta


J Med Chem 42: 4961-9 (2000)


Article DOI: 10.1021/jm991059n
BindingDB Entry DOI: 10.7270/Q24F1PX3
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha/Retinoic acid receptor beta


(Homo sapiens (Human))
BDBM323588
PNG
(Retinoic Acid | US10188615, at-RA | US10752616, Co...)
Show SMILES CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(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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US Patent
n/an/an/an/a 1.88n/an/an/an/a



King''s College London

US Patent


Assay Description
Transcriptional transactivation assays were performed with gal4 fusion receptor constructs, created using each of the RAR ligand binding domains of e...


US Patent US10752616 (2020)

More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha/Retinoic acid receptor beta


(Homo sapiens (Human))
BDBM458145
PNG
(US10752616, Code No. BHBA-008)
Show SMILES Cc1c(oc2c(C)ccc(C)c12)-c1nc(no1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C20H16N2O4/c1-10-4-5-11(2)16-15(10)12(3)17(25-16)19-21-18(22-26-19)13-6-8-14(9-7-13)20(23)24/h4-9H,1-3H3,(H,23,24)
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US Patent
n/an/an/an/a 1.90n/an/an/an/a



King''s College London

US Patent


Assay Description
Transcriptional transactivation assays were performed with gal4 fusion receptor constructs, created using each of the RAR ligand binding domains of e...


US Patent US10752616 (2020)

More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha/Retinoic acid receptor beta


(Homo sapiens (Human))
BDBM50526314
PNG
(CHEMBL4459692 | US10752616, Code No. BHBA-001)
Show SMILES Cc1ccc(C)c2oc(cc12)-c1nc(no1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C19H14N2O4/c1-10-3-4-11(2)16-14(10)9-15(24-16)18-20-17(21-25-18)12-5-7-13(8-6-12)19(22)23/h3-9H,1-2H3,(H,22,23)
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n/an/an/an/a 1.94n/an/an/an/a



King''s College London

US Patent


Assay Description
Transcriptional transactivation assays were performed with gal4 fusion receptor constructs, created using each of the RAR ligand binding domains of e...


US Patent US10752616 (2020)

More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50097824
PNG
(4-[(E)-4-(2,6,6-Trimethyl-cyclohex-1-enyl)-but-3-e...)
Show SMILES CC1=C(\C=C\C#Cc2ccc(cc2)C(O)=O)C(C)(C)CCC1
Show InChI InChI=1S/C20H22O2/c1-15-7-6-14-20(2,3)18(15)9-5-4-8-16-10-12-17(13-11-16)19(21)22/h5,9-13H,6-7,14H2,1-3H3,(H,21,22)/b9-5+
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n/an/an/an/a 2n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Transcriptional activation of retinoic acid receptor RAR beta


Bioorg Med Chem Lett 5: 523-527 (1995)


Article DOI: 10.1016/0960-894X(95)00065-2
BindingDB Entry DOI: 10.7270/Q20G3K4D
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha/Retinoic acid receptor beta


(Homo sapiens (Human))
BDBM458233
PNG
(US10752616, Code No. BHBA-014)
Show SMILES OC(=O)c1ccc(cc1F)-c1noc(n1)-c1cc2c(Cl)ccc(Cl)c2o1
Show InChI InChI=1S/C17H7Cl2FN2O4/c18-10-3-4-11(19)14-9(10)6-13(25-14)16-21-15(22-26-16)7-1-2-8(17(23)24)12(20)5-7/h1-6H,(H,23,24)
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n/an/an/an/a 2n/an/an/an/a



King''s College London

US Patent


Assay Description
Transcriptional transactivation assays were performed with gal4 fusion receptor constructs, created using each of the RAR ligand binding domains of e...


US Patent US10752616 (2020)

More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha/Retinoic acid receptor beta


(Homo sapiens (Human))
BDBM50048280
PNG
(6-(3-(1-Adamantyl)-4-methoxyphenyl)-2-naphthoic ac...)
Show SMILES COc1ccc(cc1C12CC3CC(CC(C3)C1)C2)-c1ccc2cc(ccc2c1)C(O)=O
Show InChI InChI=1S/C28H28O3/c1-31-26-7-6-23(21-2-3-22-12-24(27(29)30)5-4-20(22)11-21)13-25(26)28-14-17-8-18(15-28)10-19(9-17)16-28/h2-7,11-13,17-19H,8-10,14-16H2,1H3,(H,29,30)
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n/an/an/an/a 2n/an/an/an/a



Nestle Skin Health

Curated by ChEMBL


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


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
Retinoic acid receptor RXR-alpha/Retinoic acid receptor beta


(Homo sapiens (Human))
BDBM458286
PNG
(US10752616, Code No. BHBA-044)
Show SMILES Cc1ccc(C)c2oc(cc12)-c1nsc(n1)-c1ccc(C(O)=O)c(F)c1
Show InChI InChI=1S/C19H13FN2O3S/c1-9-3-4-10(2)16-13(9)8-15(25-16)17-21-18(26-22-17)11-5-6-12(19(23)24)14(20)7-11/h3-8H,1-2H3,(H,23,24)
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n/an/an/an/a 2n/an/an/an/a



King''s College London

US Patent


Assay Description
Transcriptional transactivation assays were performed with gal4 fusion receptor constructs, created using each of the RAR ligand binding domains of e...


US Patent US10752616 (2020)

More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha/Retinoic acid receptor beta


(Homo sapiens (Human))
BDBM50526314
PNG
(CHEMBL4459692 | US10752616, Code No. BHBA-001)
Show SMILES Cc1ccc(C)c2oc(cc12)-c1nc(no1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C19H14N2O4/c1-10-3-4-11(2)16-14(10)9-15(24-16)18-20-17(21-25-18)12-5-7-13(8-6-12)19(22)23/h3-9H,1-2H3,(H,22,23)
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n/an/an/an/a 2.10n/an/an/an/a



King's College

Curated by ChEMBL


Assay Description
Transactivation of GAL4 DBD-fused human RARbeta-LBD expressed in HEK293 cells by beta-lactamase reporter gene based assay


Bioorg Med Chem Lett 29: 995-1000 (2019)


Article DOI: 10.1016/j.bmcl.2019.02.011
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha/Retinoic acid receptor beta


(Homo sapiens (Human))
BDBM50526312
PNG
(CHEMBL4449668 | US10752616, Code No. BHBA-007)
Show SMILES Cc1ccc(C)c2oc(cc12)-c1nc(no1)-c1ccc(C(O)=O)c(F)c1
Show InChI InChI=1S/C19H13FN2O4/c1-9-3-4-10(2)16-13(9)8-15(25-16)18-21-17(22-26-18)11-5-6-12(19(23)24)14(20)7-11/h3-8H,1-2H3,(H,23,24)
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n/an/an/an/a 2.20n/an/an/an/a



King''s College London

US Patent


Assay Description
Transcriptional transactivation assays were performed with gal4 fusion receptor constructs, created using each of the RAR ligand binding domains of e...


US Patent US10752616 (2020)

More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50052033
PNG
((2E,4E,6E)-7-(3,5-Di-tert-butyl-phenyl)-3-methyl-o...)
Show SMILES C\C(\C=C\C=C(/C)c1cc(cc(c1)C(C)(C)C)C(C)(C)C)=C/C(O)=O
Show InChI InChI=1S/C23H32O2/c1-16(12-21(24)25)10-9-11-17(2)18-13-19(22(3,4)5)15-20(14-18)23(6,7)8/h9-15H,1-8H3,(H,24,25)/b10-9+,16-12+,17-11+
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n/an/an/an/a 2.20n/an/an/an/a



Ligand Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Transcriptional activation in CV-1 cells expressing Retinoic acid receptor RAR beta


J Med Chem 39: 2659-63 (1996)


Article DOI: 10.1021/jm960285j
BindingDB Entry DOI: 10.7270/Q2988631
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50052033
PNG
((2E,4E,6E)-7-(3,5-Di-tert-butyl-phenyl)-3-methyl-o...)
Show SMILES C\C(\C=C\C=C(/C)c1cc(cc(c1)C(C)(C)C)C(C)(C)C)=C/C(O)=O
Show InChI InChI=1S/C23H32O2/c1-16(12-21(24)25)10-9-11-17(2)18-13-19(22(3,4)5)15-20(14-18)23(6,7)8/h9-15H,1-8H3,(H,24,25)/b10-9+,16-12+,17-11+
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n/an/an/an/a 2.20n/an/an/an/a



Ligand Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Transcriptional activation in CV-1 cells expressing Retinoic acid receptor RAR beta


J Med Chem 39: 2659-63 (1996)


Article DOI: 10.1021/jm960285j
BindingDB Entry DOI: 10.7270/Q2988631
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha/Retinoic acid receptor beta


(Homo sapiens (Human))
BDBM50457542
PNG
(CHEMBL4212472)
Show SMILES CC1(C)CCSc2ccc(cc12)C#Cc1cccc(n1)C(O)=O
Show InChI InChI=1S/C19H17NO2S/c1-19(2)10-11-23-17-9-7-13(12-15(17)19)6-8-14-4-3-5-16(20-14)18(21)22/h3-5,7,9,12H,10-11H2,1-2H3,(H,21,22)
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n/an/an/an/a 2.5n/an/an/an/a



Nestle Skin Health

Curated by ChEMBL


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


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
Retinoic acid receptor RXR-alpha/Retinoic acid receptor beta


(Homo sapiens (Human))
BDBM50526315
PNG
(CHEMBL4439399 | US10752616, Code No. BHBA-019)
Show SMILES OC(=O)c1ccc(cc1)-c1noc(n1)-c1cc2c(ccc(F)c2o1)C(F)(F)F
Show InChI InChI=1S/C18H8F4N2O4/c19-12-6-5-11(18(20,21)22)10-7-13(27-14(10)12)16-23-15(24-28-16)8-1-3-9(4-2-8)17(25)26/h1-7H,(H,25,26)
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n/an/an/an/a 2.5n/an/an/an/a



King''s College London

US Patent


Assay Description
Transcriptional transactivation assays were performed with gal4 fusion receptor constructs, created using each of the RAR ligand binding domains of e...


US Patent US10752616 (2020)

More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha/Retinoic acid receptor beta


(Homo sapiens (Human))
BDBM458251
PNG
(US10752616, Code No. BHBA-016)
Show SMILES Cc1ccc(Cl)c2cc(oc12)-c1nc(no1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C18H11ClN2O4/c1-9-2-7-13(19)12-8-14(24-15(9)12)17-20-16(21-25-17)10-3-5-11(6-4-10)18(22)23/h2-8H,1H3,(H,22,23)
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n/an/an/an/a 2.70n/an/an/an/a



King''s College London

US Patent


Assay Description
Transcriptional transactivation assays were performed with gal4 fusion receptor constructs, created using each of the RAR ligand binding domains of e...


US Patent US10752616 (2020)

More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha/Retinoic acid receptor beta


(Homo sapiens (Human))
BDBM458152
PNG
(US10752616, Code No. BHBA-010)
Show SMILES CC(C)c1ccc(C)c2oc(cc12)-c1nc(no1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C21H18N2O4/c1-11(2)15-9-4-12(3)18-16(15)10-17(26-18)20-22-19(23-27-20)13-5-7-14(8-6-13)21(24)25/h4-11H,1-3H3,(H,24,25)
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n/an/an/an/a 2.90n/an/an/an/a



King''s College London

US Patent


Assay Description
Transcriptional transactivation assays were performed with gal4 fusion receptor constructs, created using each of the RAR ligand binding domains of e...


US Patent US10752616 (2020)

More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha/Retinoic acid receptor beta


(Homo sapiens (Human))
BDBM458240
PNG
(US10752616, Code No. BHBA-015)
Show SMILES Cc1ccc(Cl)c2oc(cc12)-c1nc(no1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C18H11ClN2O4/c1-9-2-7-13(19)15-12(9)8-14(24-15)17-20-16(21-25-17)10-3-5-11(6-4-10)18(22)23/h2-8H,1H3,(H,22,23)
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n/an/an/an/a 2.90n/an/an/an/a



King''s College London

US Patent


Assay Description
Transcriptional transactivation assays were performed with gal4 fusion receptor constructs, created using each of the RAR ligand binding domains of e...


US Patent US10752616 (2020)

More data for this
Ligand-Target Pair
Retinoid receptor


(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 3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity for retinoic acid receptor RAR beta in transcriptional activation assay


Bioorg Med Chem Lett 5: 2729-2734 (1995)


Article DOI: 10.1016/0960-894X(95)00455-3
BindingDB Entry DOI: 10.7270/Q22N527N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoid receptor


(Homo sapiens (Human))
BDBM31892
PNG
(9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin...)
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 3n/an/an/an/a



Allergan Inc

Curated by ChEMBL


Assay Description
Transcriptional activation in CV-1 cells expressing retinoic acid receptor RAR beta


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
3D
3D Structure (crystal)
Retinoic acid receptor RXR-alpha/Retinoic acid receptor beta


(Homo sapiens (Human))
BDBM50290184
PNG
(4-(1-Isopropyl-4,4-dimethyl-1,2,3,4-tetrahydro-qui...)
Show SMILES CC(C)N1CCC(C)(C)c2ccc(cc12)C#Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C23H25NO2/c1-16(2)24-14-13-23(3,4)20-12-9-18(15-21(20)24)6-5-17-7-10-19(11-8-17)22(25)26/h7-12,15-16H,13-14H2,1-4H3,(H,25,26)
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n/an/an/an/a 3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity of the compound was determined for Retinoic acid receptor alpha


Bioorg Med Chem Lett 7: 2373-2378 (1997)


Article DOI: 10.1016/S0960-894X(97)00435-6
BindingDB Entry DOI: 10.7270/Q2K35TN8
More data for this
Ligand-Target Pair
Retinoid receptor


(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 3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Transactivation potency of the compound was determined for Retinoic acid receptor beta


Bioorg Med Chem Lett 7: 2373-2378 (1997)


Article DOI: 10.1016/S0960-894X(97)00435-6
BindingDB Entry DOI: 10.7270/Q2K35TN8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoid receptor


(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 3n/an/an/an/a



Ligand Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Binding affinity against retinoic Acid beta receptors cotransfected into CV-1 cells


J Med Chem 37: 408-14 (1994)


Article DOI: 10.1021/jm00029a013
BindingDB Entry DOI: 10.7270/Q20V8BT5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoic acid receptor RXR-alpha/Retinoic acid receptor beta


(Homo sapiens (Human))
BDBM458284
PNG
(US10752616, Code No. BHBA-042)
Show SMILES Cc1ccc(C)c2oc(cc12)-c1nsc(n1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C19H14N2O3S/c1-10-3-4-11(2)16-14(10)9-15(24-16)17-20-18(25-21-17)12-5-7-13(8-6-12)19(22)23/h3-9H,1-2H3,(H,22,23)
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n/an/an/an/a 3.10n/an/an/an/a



King''s College London

US Patent


Assay Description
Transcriptional transactivation assays were performed with gal4 fusion receptor constructs, created using each of the RAR ligand binding domains of e...


US Patent US10752616 (2020)

More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50064254
PNG
((2E,4E,6E,8Z)-3,7-Dimethyl-9-(2,6,6-trimethyl-cycl...)
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 3.30n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Transcriptional activation of retinoic acid receptor RAR beta


Bioorg Med Chem Lett 5: 523-527 (1995)


Article DOI: 10.1016/0960-894X(95)00065-2
BindingDB Entry DOI: 10.7270/Q20G3K4D
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM31892
PNG
(9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin...)
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 3.30n/an/an/an/a



Università di Ferrara

Curated by ChEMBL


Assay Description
Transcriptional activation of Retinoic acid receptor RAR beta


J Med Chem 42: 4961-9 (2000)


Article DOI: 10.1021/jm991059n
BindingDB Entry DOI: 10.7270/Q24F1PX3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoid receptor


(Homo sapiens (Human))
BDBM31892
PNG
(9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin...)
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 3.30n/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
3D
3D Structure (crystal)
Retinoid receptor


(Homo sapiens (Human))
BDBM31892
PNG
(9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin...)
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 3.30n/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
3D
3D Structure (crystal)
Retinoic acid receptor RXR-alpha/Retinoic acid receptor beta


(Homo sapiens (Human))
BDBM50526325
PNG
(CHEMBL4438880 | US10752616, Code No. BHBA-021)
Show SMILES Cc1ccc(C)c2sc(cc12)-c1nc(no1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C19H14N2O3S/c1-10-3-4-11(2)16-14(10)9-15(25-16)18-20-17(21-24-18)12-5-7-13(8-6-12)19(22)23/h3-9H,1-2H3,(H,22,23)
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US Patent
n/an/an/an/a 3.40n/an/an/an/a



King''s College London

US Patent


Assay Description
Transcriptional transactivation assays were performed with gal4 fusion receptor constructs, created using each of the RAR ligand binding domains of e...


US Patent US10752616 (2020)

More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha/Retinoic acid receptor beta


(Homo sapiens (Human))
BDBM458281
PNG
(US10752616, Code No. BHBA-039)
Show SMILES Cc1ccc(C)c2oc(cc12)-c1nc(ns1)-c1ccc(cc1Cl)C(O)=O
Show InChI InChI=1S/C19H13ClN2O3S/c1-9-3-4-10(2)16-13(9)8-15(25-16)18-21-17(22-26-18)12-6-5-11(19(23)24)7-14(12)20/h3-8H,1-2H3,(H,23,24)
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n/an/an/an/a 3.60n/an/an/an/a



King''s College London

US Patent


Assay Description
Transcriptional transactivation assays were performed with gal4 fusion receptor constructs, created using each of the RAR ligand binding domains of e...


US Patent US10752616 (2020)

More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha/Retinoic acid receptor beta


(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 3.80n/an/an/an/a



Nestle Skin Health

Curated by ChEMBL


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


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
Retinoic acid receptor RXR-alpha/Retinoic acid receptor beta


(Homo sapiens (Human))
BDBM50290179
PNG
(4-(1-Isopropyl-4,4-dimethyl-2-oxo-1,2,3,4-tetrahyd...)
Show SMILES CC(C)N1C(=O)CC(C)(C)c2cc(ccc12)C#Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C23H23NO3/c1-15(2)24-20-12-9-17(13-19(20)23(3,4)14-21(24)25)6-5-16-7-10-18(11-8-16)22(26)27/h7-13,15H,14H2,1-4H3,(H,26,27)
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n/an/an/an/a 4n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity of the compound was determined for Retinoic acid receptor beta


Bioorg Med Chem Lett 7: 2373-2378 (1997)


Article DOI: 10.1016/S0960-894X(97)00435-6
BindingDB Entry DOI: 10.7270/Q2K35TN8
More data for this
Ligand-Target Pair
Retinoid receptor


(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 4n/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
3D
3D Structure (crystal)
Retinoid receptor


(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 4n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Transcriptional activation of retinoic acid receptor RAR beta


Bioorg Med Chem Lett 5: 523-527 (1995)


Article DOI: 10.1016/0960-894X(95)00065-2
BindingDB Entry DOI: 10.7270/Q20G3K4D
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoic acid receptor RXR-alpha/Retinoic acid receptor beta


(Homo sapiens (Human))
BDBM50290178
PNG
(4-(1-Isopropyl-4,4-dimethyl-2-oxo-1,2,3,4-tetrahyd...)
Show SMILES CC(C)N1C(=O)CC(C)(C)c2ccc(cc12)C#Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C23H23NO3/c1-15(2)24-20-13-17(9-12-19(20)23(3,4)14-21(24)25)6-5-16-7-10-18(11-8-16)22(26)27/h7-13,15H,14H2,1-4H3,(H,26,27)
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n/an/an/an/a 4n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Transactivation potency of the compound was determined for Retinoic acid receptor beta


Bioorg Med Chem Lett 7: 2373-2378 (1997)


Article DOI: 10.1016/S0960-894X(97)00435-6
BindingDB Entry DOI: 10.7270/Q2K35TN8
More data for this
Ligand-Target Pair
Retinoid receptor


(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 4n/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
3D
3D Structure (crystal)
Retinoic acid receptor RXR-alpha/Retinoic acid receptor beta


(Homo sapiens (Human))
BDBM458287
PNG
(US10752616, Code No. BHBA-045)
Show SMILES Cc1cc(Cl)c(C)c2cc(oc12)-c1nc(no1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C19H13ClN2O4/c1-9-7-14(20)10(2)13-8-15(25-16(9)13)18-21-17(22-26-18)11-3-5-12(6-4-11)19(23)24/h3-8H,1-2H3,(H,23,24)
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n/an/an/an/a 4n/an/an/an/a



King''s College London

US Patent


Assay Description
Transcriptional transactivation assays were performed with gal4 fusion receptor constructs, created using each of the RAR ligand binding domains of e...


US Patent US10752616 (2020)

More data for this
Ligand-Target Pair
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