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PDB code 3H0A

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 57 hits Enzyme Inhibition Constant Data   
Target
(Institution)
LigandTarget
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
Retinoid receptor

  (202/230 = 88%)
(Homo sapiens)
BDBM50032675
PNG
(4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaph...)
Show SMILES Cc1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H28O2/c1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)22(25)26/h7-10,13-14H,2,11-12H2,1,3-6H3,(H,25,26)
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5.90n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Selective activity of the compound towards retinoid X receptor-beta


J Med Chem 40: 4222-34 (1998)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoid X receptor gamma/retinoic acid receptor alpha

  (201/228 = 88%)
(Homo sapiens)
BDBM50032675
PNG
(4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaph...)
Show SMILES Cc1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H28O2/c1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)22(25)26/h7-10,13-14H,2,11-12H2,1,3-6H3,(H,25,26)
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8.30n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Selective activity of the compound towards retinoid X receptor-gamma


J Med Chem 40: 4222-34 (1998)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
RXR alpha/PPAR gamma

  (228/228 = 100%)
(Homo sapiens)
BDBM50032675
PNG
(4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaph...)
Show SMILES Cc1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H28O2/c1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)22(25)26/h7-10,13-14H,2,11-12H2,1,3-6H3,(H,25,26)
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14n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-9-cis-RA binding to RXR alpha receptor


Bioorg Med Chem Lett 7: 2747-2752 (1997)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
RXR alpha/PPAR gamma

  (228/228 = 100%)
(Homo sapiens)
BDBM50032675
PNG
(4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaph...)
Show SMILES Cc1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H28O2/c1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)22(25)26/h7-10,13-14H,2,11-12H2,1,3-6H3,(H,25,26)
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16n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Selective activity of the compound towards retinoid X receptor-alpha


J Med Chem 40: 4222-34 (1998)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoid X receptor beta

  (200/230 = 87%)
(Mus musculus)
BDBM50032675
PNG
(4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaph...)
Show SMILES Cc1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H28O2/c1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)22(25)26/h7-10,13-14H,2,11-12H2,1,3-6H3,(H,25,26)
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21n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-9-cis-RA binding to Retinoid X receptor RXR beta


Bioorg Med Chem Lett 7: 2393-2398 (1997)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoid receptor

  (202/230 = 88%)
(Homo sapiens)
BDBM50032675
PNG
(4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaph...)
Show SMILES Cc1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H28O2/c1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)22(25)26/h7-10,13-14H,2,11-12H2,1,3-6H3,(H,25,26)
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21n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-9-cis-RA binding to RXR beta receptor


Bioorg Med Chem Lett 7: 2747-2752 (1997)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoid receptor

  (202/230 = 88%)
(Homo sapiens)
BDBM50032675
PNG
(4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaph...)
Show SMILES Cc1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H28O2/c1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)22(25)26/h7-10,13-14H,2,11-12H2,1,3-6H3,(H,25,26)
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21n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Binding affinity towards recombinantly expressed Retinoic acid receptor RXR-beta in baculoviral sysytem, by using 5 nM [3H]-targretin in a competitiv...


J Med Chem 42: 742-50 (1999)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
RXR alpha/PPAR gamma

  (228/228 = 100%)
(Homo sapiens)
BDBM50032675
PNG
(4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaph...)
Show SMILES Cc1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H28O2/c1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)22(25)26/h7-10,13-14H,2,11-12H2,1,3-6H3,(H,25,26)
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21n/an/an/an/an/an/an/an/a



Arizona State University

Curated by ChEMBL


Assay Description
Displacement of [3H]-9-cis-retinoic acid form human RXRalpha expressed in human Caco2 cells after 16 hrs


J Med Chem 52: 5950-66 (2009)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoid X receptor gamma/retinoic acid receptor alpha

  (201/228 = 88%)
(Homo sapiens)
BDBM50032675
PNG
(4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaph...)
Show SMILES Cc1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H28O2/c1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)22(25)26/h7-10,13-14H,2,11-12H2,1,3-6H3,(H,25,26)
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29n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Binding affinity towards recombinantly expressed Retinoic acid receptor RXR-gamma in baculoviral sysytem, by using 5 nM [3H]-targretin in a competiti...


J Med Chem 42: 742-50 (1999)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoid X receptor gamma/retinoic acid receptor alpha

  (201/228 = 88%)
(Homo sapiens)
BDBM50032675
PNG
(4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaph...)
Show SMILES Cc1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H28O2/c1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)22(25)26/h7-10,13-14H,2,11-12H2,1,3-6H3,(H,25,26)
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29n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-9-cis-RA binding to RXR gamma receptor


Bioorg Med Chem Lett 7: 2747-2752 (1997)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoid X receptor gamma

  (199/228 = 87%)
(Mus musculus)
BDBM50032675
PNG
(4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaph...)
Show SMILES Cc1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H28O2/c1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)22(25)26/h7-10,13-14H,2,11-12H2,1,3-6H3,(H,25,26)
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29n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-9-cis-RA binding to Retinoid X receptor RXR gamma


Bioorg Med Chem Lett 7: 2393-2398 (1997)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor

  (272/272 = 100%)
(Homo sapiens (human))
BDBM29879
PNG
(alkynyl ether, 21)
Show SMILES CCC#CCOc1cc(COc2ccc(cc2)C(F)(F)F)ccc1Sc1ccc(OCC(O)=O)c2CCCCc12
Show InChI InChI=1S/C31H29F3O5S/c1-2-3-6-17-37-27-18-21(19-38-23-12-10-22(11-13-23)31(32,33)34)9-15-29(27)40-28-16-14-26(39-20-30(35)36)24-7-4-5-8-25(24)28/h9-16,18H,2,4-5,7-8,17,19-20H2,1H3,(H,35,36)
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33 -42.3n/an/a 160n/an/a8.022



Amgen



Assay Description
The human PPARgamma ligand binding was directly measured using a filtration assay in a UniFilter 350 96-well assay plate (Polyfiltronics). The reacti...


Bioorg Med Chem Lett 19: 3550-4 (2009)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
RXR alpha/PPAR gamma

  (228/228 = 100%)
(Homo sapiens)
BDBM50032675
PNG
(4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaph...)
Show SMILES Cc1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H28O2/c1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)22(25)26/h7-10,13-14H,2,11-12H2,1,3-6H3,(H,25,26)
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36n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-9-cis-RA binding to Retinoid X receptor RXR alpha


Bioorg Med Chem Lett 7: 2393-2398 (1997)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
RXR alpha/PPAR gamma

  (228/228 = 100%)
(Homo sapiens)
BDBM50032675
PNG
(4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaph...)
Show SMILES Cc1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H28O2/c1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)22(25)26/h7-10,13-14H,2,11-12H2,1,3-6H3,(H,25,26)
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36n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Binding affinity towards recombinantly expressed Retinoic acid receptor RXR-alpha in baculoviral sysytem, by using 5 nM [3H]-targretin in a competiti...


J Med Chem 42: 742-50 (1999)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoid X receptor gamma/retinoic acid receptor alpha

  (201/228 = 88%)
(Homo sapiens)
BDBM50032675
PNG
(4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaph...)
Show SMILES Cc1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H28O2/c1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)22(25)26/h7-10,13-14H,2,11-12H2,1,3-6H3,(H,25,26)
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75n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Retinoic acid receptor RXR-gamma


Bioorg Med Chem Lett 7: 2313-2318 (1997)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
RXR alpha/PPAR gamma

  (228/228 = 100%)
(Homo sapiens)
BDBM50032675
PNG
(4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaph...)
Show SMILES Cc1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H28O2/c1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)22(25)26/h7-10,13-14H,2,11-12H2,1,3-6H3,(H,25,26)
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n/an/an/a 36n/an/an/an/an/a



Universidade de Vigo

Curated by ChEMBL


Assay Description
Dissociation constant for binding to Retinoic acid receptor RXR-alpha


Bioorg Med Chem Lett 12: 2607-9 (2002)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoid receptor

  (202/230 = 88%)
(Homo sapiens)
BDBM50032675
PNG
(4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaph...)
Show SMILES Cc1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H28O2/c1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)22(25)26/h7-10,13-14H,2,11-12H2,1,3-6H3,(H,25,26)
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n/an/an/an/a 24n/an/an/an/a



TBA

Curated by ChEMBL


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


Bioorg Med Chem Lett 7: 2747-2752 (1997)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoid X receptor gamma/retinoic acid receptor alpha

  (201/228 = 88%)
(Homo sapiens)
BDBM50032675
PNG
(4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaph...)
Show SMILES Cc1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H28O2/c1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)22(25)26/h7-10,13-14H,2,11-12H2,1,3-6H3,(H,25,26)
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n/an/an/an/a 25n/an/an/an/a



TBA

Curated by ChEMBL


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


Bioorg Med Chem Lett 7: 2747-2752 (1997)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoid X receptor gamma

  (199/228 = 87%)
(Mus musculus)
BDBM50032675
PNG
(4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaph...)
Show SMILES Cc1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H28O2/c1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)22(25)26/h7-10,13-14H,2,11-12H2,1,3-6H3,(H,25,26)
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n/an/an/an/a 20n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Effective potency in transcriptional activation assay in CV-1 cells expressing Retinoid X receptor RXR gamma


Bioorg Med Chem Lett 7: 2393-2398 (1997)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoid X receptor alpha

  (227/228 > 99%)
(Mus musculus)
BDBM50032675
PNG
(4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaph...)
Show SMILES Cc1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H28O2/c1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)22(25)26/h7-10,13-14H,2,11-12H2,1,3-6H3,(H,25,26)
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n/an/an/an/a 40n/an/an/an/a



Universidade de Vigo

Curated by ChEMBL


Assay Description
Transactivation of Gal4-LBD fused mouse RXRalpha (218 to 467) transfected in african green monkey CV1 cells assessed as luciferase activity at after ...


Eur J Med Chem 44: 2434-46 (2009)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
RXR alpha/PPAR gamma

  (228/228 = 100%)
(Homo sapiens)
BDBM50032675
PNG
(4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaph...)
Show SMILES Cc1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H28O2/c1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)22(25)26/h7-10,13-14H,2,11-12H2,1,3-6H3,(H,25,26)
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n/an/an/an/a 52n/an/an/an/a



Arizona State University

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant Gal4-tagged RXRalpha expressed in human Caco2 cells assessed as receptor homodimerization after 24 hrs by mamma...


J Med Chem 52: 5950-66 (2009)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
RXR alpha/PPAR gamma

  (228/228 = 100%)
(Homo sapiens)
BDBM50032675
PNG
(4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaph...)
Show SMILES Cc1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H28O2/c1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)22(25)26/h7-10,13-14H,2,11-12H2,1,3-6H3,(H,25,26)
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n/an/an/a 36n/an/an/a7.44



University of Texas Southwestern Medical Center



Assay Description
Binding assay using human retinoid X receptor alpha (RXR).


Chem Biol 5: 13-21 (1998)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
RXR alpha/PPAR gamma

  (228/228 = 100%)
(Homo sapiens)
BDBM50032675
PNG
(4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaph...)
Show SMILES Cc1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H28O2/c1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)22(25)26/h7-10,13-14H,2,11-12H2,1,3-6H3,(H,25,26)
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n/an/an/a 7n/an/an/a7.44



University of Texas Southwestern Medical Center



Assay Description
Binding assay using human retinoid X receptor alpha (RXR).


Chem Biol 5: 13-21 (1998)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
RXR alpha/PPAR gamma

  (228/228 = 100%)
(Homo sapiens)
BDBM50032675
PNG
(4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaph...)
Show SMILES Cc1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H28O2/c1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)22(25)26/h7-10,13-14H,2,11-12H2,1,3-6H3,(H,25,26)
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n/an/an/a 26n/an/an/a7.44



University of Texas Southwestern Medical Center



Assay Description
Binding assay using human retinoid X receptor alpha (RXR).


Chem Biol 5: 13-21 (1998)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
RXR alpha/PPAR gamma

  (228/228 = 100%)
(Homo sapiens)
BDBM50032675
PNG
(4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaph...)
Show SMILES Cc1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H28O2/c1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)22(25)26/h7-10,13-14H,2,11-12H2,1,3-6H3,(H,25,26)
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n/an/an/a 42n/an/an/a7.44



University of Texas Southwestern Medical Center



Assay Description
Binding assay using human retinoid X receptor alpha (RXR).


Chem Biol 5: 13-21 (1998)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
RXR alpha/PPAR gamma

  (228/228 = 100%)
(Homo sapiens)
BDBM50032675
PNG
(4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaph...)
Show SMILES Cc1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H28O2/c1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)22(25)26/h7-10,13-14H,2,11-12H2,1,3-6H3,(H,25,26)
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n/an/an/a 51n/an/an/a7.44



University of Texas Southwestern Medical Center



Assay Description
Binding assay using human retinoid X receptor alpha (RXR).


Chem Biol 5: 13-21 (1998)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
RXR alpha/PPAR gamma

  (228/228 = 100%)
(Homo sapiens)
BDBM50032675
PNG
(4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaph...)
Show SMILES Cc1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H28O2/c1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)22(25)26/h7-10,13-14H,2,11-12H2,1,3-6H3,(H,25,26)
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n/an/an/an/a 19.8n/an/an/an/a



Okayama University

Curated by ChEMBL


Assay Description
Agonist activity at RXRalpha by luciferase reporter gene assay


Bioorg Med Chem Lett 20: 5139-42 (2010)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
RXR alpha/PPAR gamma

  (228/228 = 100%)
(Homo sapiens)
BDBM50032675
PNG
(4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaph...)
Show SMILES Cc1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H28O2/c1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)22(25)26/h7-10,13-14H,2,11-12H2,1,3-6H3,(H,25,26)
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n/an/an/an/a 20n/an/an/an/a


TBA

Assay Description
Agonist activity at RXRalpha transfected in human COS1 cells after 18 hrs by luciferase reporter gene transactivation assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
RXR alpha/PPAR gamma

  (228/228 = 100%)
(Homo sapiens)
BDBM50032675
PNG
(4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaph...)
Show SMILES Cc1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H28O2/c1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)22(25)26/h7-10,13-14H,2,11-12H2,1,3-6H3,(H,25,26)
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n/an/an/an/a 2.70n/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human RXRalpha LBD by cell based luciferase reporter gene assay


J Med Chem 54: 788-808 (2012)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
NR2B Channel Blocker

  (227/228 > 99%)
(RAT)
BDBM50032675
PNG
(4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaph...)
Show SMILES Cc1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H28O2/c1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)22(25)26/h7-10,13-14H,2,11-12H2,1,3-6H3,(H,25,26)
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n/an/an/an/a 40n/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
Agonist activity at RXRalpha in rat RK3E cells assessed as transcriptional activation by luciferase reporter gene assay


Bioorg Med Chem 22: 178-85 (2013)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoid X receptor gamma

  (199/228 = 87%)
(Mus musculus)
BDBM50032675
PNG
(4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaph...)
Show SMILES Cc1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H28O2/c1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)22(25)26/h7-10,13-14H,2,11-12H2,1,3-6H3,(H,25,26)
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n/an/an/a 29n/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-9-cis-RA binding to baculovirus expressed retinoid receptor RXR gamma


J Med Chem 37: 2930-41 (1994)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
RXR alpha/PPAR gamma

  (228/228 = 100%)
(Homo sapiens)
BDBM50032675
PNG
(4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaph...)
Show SMILES Cc1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H28O2/c1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)22(25)26/h7-10,13-14H,2,11-12H2,1,3-6H3,(H,25,26)
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n/an/an/an/a 33n/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Effective concentration against retinoid receptor isoform (RXR alpha) expressed in CV-1 cells


J Med Chem 37: 2930-41 (1994)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoid X receptor beta

  (200/230 = 87%)
(Mus musculus)
BDBM50032675
PNG
(4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaph...)
Show SMILES Cc1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H28O2/c1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)22(25)26/h7-10,13-14H,2,11-12H2,1,3-6H3,(H,25,26)
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n/an/an/an/a 24n/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Effective concentration against retinoid receptor isoform (RXR beta) expressed in CV-1 cells


J Med Chem 37: 2930-41 (1994)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
RXR alpha/PPAR gamma

  (228/228 = 100%)
(Homo sapiens)
BDBM50032675
PNG
(4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaph...)
Show SMILES Cc1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H28O2/c1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)22(25)26/h7-10,13-14H,2,11-12H2,1,3-6H3,(H,25,26)
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n/an/an/an/a 33n/an/an/an/a



TBA

Curated by ChEMBL


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


Bioorg Med Chem Lett 7: 2747-2752 (1997)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
RXR alpha/PPAR gamma

  (228/228 = 100%)
(Homo sapiens)
BDBM50032675
PNG
(4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaph...)
Show SMILES Cc1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H28O2/c1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)22(25)26/h7-10,13-14H,2,11-12H2,1,3-6H3,(H,25,26)
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n/an/an/an/a 28n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Effective potency in transcriptional activation assay in CV-1 cells expressing Retinoid X receptor RXR alpha


Bioorg Med Chem Lett 7: 2393-2398 (1997)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoid X receptor beta

  (200/230 = 87%)
(Mus musculus)
BDBM50032675
PNG
(4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaph...)
Show SMILES Cc1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H28O2/c1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)22(25)26/h7-10,13-14H,2,11-12H2,1,3-6H3,(H,25,26)
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n/an/an/an/a 25n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Effective potency in transcriptional activation assay in CV-1 cells expressing Retinoid X receptor RXR beta


Bioorg Med Chem Lett 7: 2393-2398 (1997)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
RXR alpha/PPAR gamma

  (228/228 = 100%)
(Homo sapiens)
BDBM50032675
PNG
(4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaph...)
Show SMILES Cc1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H28O2/c1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)22(25)26/h7-10,13-14H,2,11-12H2,1,3-6H3,(H,25,26)
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n/an/an/a 1.89E+3n/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
Agonist activity at human RXR-alpha-ligand binding domain homodimers assessed as coactivator recruitment by measuring GRIP1 binding to receptor by is...


J Med Chem 57: 5370-80 (2014)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
RXR alpha/PPAR gamma

  (228/228 = 100%)
(Homo sapiens)
BDBM50032675
PNG
(4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaph...)
Show SMILES Cc1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H28O2/c1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)22(25)26/h7-10,13-14H,2,11-12H2,1,3-6H3,(H,25,26)
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n/an/an/a 26n/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
Binding affinity to human RXR-alpha-ligand binding domain homodimers by fluorescence quenching method


J Med Chem 57: 5370-80 (2014)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
RXR alpha/PPAR gamma

  (228/228 = 100%)
(Homo sapiens)
BDBM50032675
PNG
(4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaph...)
Show SMILES Cc1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H28O2/c1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)22(25)26/h7-10,13-14H,2,11-12H2,1,3-6H3,(H,25,26)
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n/an/an/an/a 40n/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
Agonist activity at Gal4-fused human RXR-alpha expressed in HEK293 cells assessed as receptor-mediated transcriptional activity treated 24 hrs after ...


J Med Chem 57: 5370-80 (2014)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
RXR alpha/PPAR gamma

  (228/228 = 100%)
(Homo sapiens)
BDBM50032675
PNG
(4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaph...)
Show SMILES Cc1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H28O2/c1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)22(25)26/h7-10,13-14H,2,11-12H2,1,3-6H3,(H,25,26)
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n/an/an/an/a 20n/an/an/an/a



Okayama University Graduate School of Medicine

Curated by ChEMBL


Assay Description
Agonist activity at RXRalpha (unknown origin) expressed in COS1 cells incubated for 18 hrs by luciferase reporter gene assay


ACS Med Chem Lett 6: 334-8 (2015)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
RXR alpha/PPAR gamma

  (228/228 = 100%)
(Homo sapiens)
BDBM50032675
PNG
(4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaph...)
Show SMILES Cc1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H28O2/c1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)22(25)26/h7-10,13-14H,2,11-12H2,1,3-6H3,(H,25,26)
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n/an/an/a 1.59E+3n/an/an/an/an/a



Departments of?Chemistry,?Biochemistry and Molecular Genetics,§Vision Sciences, and¿Surgery, University of Alabama at Birmingham , Birmingham, Alabama 35294, United States.

Curated by ChEMBL


Assay Description
Binding affinity to human RXRalpha LBD after 15 mins by isothermal titration calorimetry assay


J Med Chem 58: 7763-74 (2015)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoid receptor

  (202/230 = 88%)
(Homo sapiens)
BDBM50032675
PNG
(4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaph...)
Show SMILES Cc1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H28O2/c1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)22(25)26/h7-10,13-14H,2,11-12H2,1,3-6H3,(H,25,26)
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n/an/an/an/a 25n/an/an/an/a



Ligand Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Transcriptional activity was evaluated in CV-1 cells transfected with expression vector for Retinoic acid receptor RXR-beta


J Med Chem 42: 742-50 (1999)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoid X receptor gamma/retinoic acid receptor alpha

  (201/228 = 88%)
(Homo sapiens)
BDBM50032675
PNG
(4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaph...)
Show SMILES Cc1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H28O2/c1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)22(25)26/h7-10,13-14H,2,11-12H2,1,3-6H3,(H,25,26)
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n/an/an/an/a 20n/an/an/an/a



Ligand Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Transcriptional activity was evaluated in CV-1 cells transfected with expression vector for Retinoic acid receptor RXR-gamma


J Med Chem 42: 742-50 (1999)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
RXR alpha/PPAR gamma

  (228/228 = 100%)
(Homo sapiens)
BDBM50032675
PNG
(4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaph...)
Show SMILES Cc1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H28O2/c1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)22(25)26/h7-10,13-14H,2,11-12H2,1,3-6H3,(H,25,26)
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n/an/an/an/a 28n/an/an/an/a



Ligand Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Transcriptional activity was evaluated in CV-1 cells transfected with expression vector for Retinoic acid receptor RXR-alpha


J Med Chem 42: 742-50 (1999)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoid X receptor beta

  (200/230 = 87%)
(Mus musculus)
BDBM50032675
PNG
(4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaph...)
Show SMILES Cc1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H28O2/c1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)22(25)26/h7-10,13-14H,2,11-12H2,1,3-6H3,(H,25,26)
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n/an/an/a 21n/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-9-cis-RA binding to baculovirus expressed retinoid receptor RXR beta


J Med Chem 37: 2930-41 (1994)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
RXR alpha/PPAR gamma

  (228/228 = 100%)
(Homo sapiens)
BDBM50032675
PNG
(4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaph...)
Show SMILES Cc1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H28O2/c1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)22(25)26/h7-10,13-14H,2,11-12H2,1,3-6H3,(H,25,26)
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n/an/an/a 14n/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-9-cis-RA binding to baculovirus expressed retinoid receptor RXR alpha


J Med Chem 37: 2930-41 (1994)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoid X receptor beta

  (200/230 = 87%)
(Mus musculus)
BDBM50032675
PNG
(4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaph...)
Show SMILES Cc1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H28O2/c1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)22(25)26/h7-10,13-14H,2,11-12H2,1,3-6H3,(H,25,26)
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n/an/an/an/a 25n/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Ability to activate gene expression at Retinoic acid receptor RXR-beta was evaluated in a cotransfection assay.


J Med Chem 38: 3146-55 (1995)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoid X receptor gamma

  (199/228 = 87%)
(Mus musculus)
BDBM50032675
PNG
(4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaph...)
Show SMILES Cc1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H28O2/c1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)22(25)26/h7-10,13-14H,2,11-12H2,1,3-6H3,(H,25,26)
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n/an/an/a 29n/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to Retinoic acid receptor RXR-gamma was evaluated in a competitive binding assay.


J Med Chem 38: 3146-55 (1995)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoid X receptor gamma

  (199/228 = 87%)
(Mus musculus)
BDBM50032675
PNG
(4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaph...)
Show SMILES Cc1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H28O2/c1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)22(25)26/h7-10,13-14H,2,11-12H2,1,3-6H3,(H,25,26)
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n/an/an/an/a 25n/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Effective concentration against retinoid receptor isoform (RXR gamma) expressed in CV-1 cells


J Med Chem 37: 2930-41 (1994)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
RXR alpha/PPAR gamma

  (228/228 = 100%)
(Homo sapiens)
BDBM50032675
PNG
(4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaph...)
Show SMILES Cc1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H28O2/c1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)22(25)26/h7-10,13-14H,2,11-12H2,1,3-6H3,(H,25,26)
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n/an/an/a 36n/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Ability to bind directly to Retinoic acid receptor RXR-alpha was evaluated in a competitive binding assay.


J Med Chem 38: 3146-55 (1995)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
RXR alpha/PPAR gamma

  (228/228 = 100%)
(Homo sapiens)
BDBM50032675
PNG
(4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaph...)
Show SMILES Cc1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H28O2/c1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)22(25)26/h7-10,13-14H,2,11-12H2,1,3-6H3,(H,25,26)
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n/an/an/an/a 28n/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Ability to activate gene expression at Retinoic acid receptor RXR-alpha was evaluated in a cotransfection assay.


J Med Chem 38: 3146-55 (1995)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoid X receptor beta

  (200/230 = 87%)
(Mus musculus)
BDBM50032675
PNG
(4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaph...)
Show SMILES Cc1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H28O2/c1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)22(25)26/h7-10,13-14H,2,11-12H2,1,3-6H3,(H,25,26)
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n/an/an/a 21n/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to Retinoic acid receptor RXR-beta was determined in a competitive binding assay.


J Med Chem 38: 3146-55 (1995)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoid X receptor gamma

  (199/228 = 87%)
(Mus musculus)
BDBM50032675
PNG
(4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaph...)
Show SMILES Cc1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H28O2/c1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)22(25)26/h7-10,13-14H,2,11-12H2,1,3-6H3,(H,25,26)
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n/an/an/an/a 20n/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Ability to activate gene expression at Retinoic acid receptor RXR-gamma was evaluated in a cotransfection assay.


J Med Chem 38: 3146-55 (1995)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoid X receptor gamma/retinoic acid receptor alpha

  (201/228 = 88%)
(Homo sapiens)
BDBM50032675
PNG
(4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaph...)
Show SMILES Cc1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H28O2/c1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)22(25)26/h7-10,13-14H,2,11-12H2,1,3-6H3,(H,25,26)
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n/an/an/an/a 122n/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Effective concentrations against Retinoic acid receptor RXR-gamma


J Med Chem 38: 3368-83 (1995)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoid receptor

  (202/230 = 88%)
(Homo sapiens)
BDBM50032675
PNG
(4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaph...)
Show SMILES Cc1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H28O2/c1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)22(25)26/h7-10,13-14H,2,11-12H2,1,3-6H3,(H,25,26)
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n/an/an/an/a 112n/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Effective concentrations against Retinoic acid receptor RXR-beta


J Med Chem 38: 3368-83 (1995)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
RXR alpha/PPAR gamma

  (228/228 = 100%)
(Homo sapiens)
BDBM50032675
PNG
(4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaph...)
Show SMILES Cc1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H28O2/c1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)22(25)26/h7-10,13-14H,2,11-12H2,1,3-6H3,(H,25,26)
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n/an/an/an/a 118n/an/an/an/a



Departments of?Chemistry,?Biochemistry and Molecular Genetics,§Vision Sciences, and¿Surgery, University of Alabama at Birmingham , Birmingham, Alabama 35294, United States.

Curated by ChEMBL


Assay Description
Agonist activity at RXRalpha LBD (unknown origin) expressed in CV1 cells


J Med Chem 58: 7763-74 (2015)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
RXR alpha/PPAR gamma

  (228/228 = 100%)
(Homo sapiens)
BDBM50032675
PNG
(4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaph...)
Show SMILES Cc1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H28O2/c1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)22(25)26/h7-10,13-14H,2,11-12H2,1,3-6H3,(H,25,26)
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n/an/an/an/a 42n/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Effective concentration against Retinoic acid receptor RXR-alpha


J Med Chem 38: 3368-83 (1995)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)

Similar Ligands in BindingDB*

Found 2 hits Enzyme Inhibition Constant Data.   
Target
(Institution)
LigandTarget
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
Peroxisome proliferator-activated receptor

  (272/272 = 100%)
(Homo sapiens (human))
BDBM29878
PNG
(alkynyl ether, 20)
Show SMILES CC#CCOc1cc(COc2ccc(cc2)C(F)(F)F)ccc1Sc1ccc(OCC(O)=O)c2CCCCc12
Show InChI InChI=1S/C30H27F3O5S/c1-2-3-16-36-26-17-20(18-37-22-11-9-21(10-12-22)30(31,32)33)8-14-28(26)39-27-15-13-25(38-19-29(34)35)23-6-4-5-7-24(23)27/h8-15,17H,4-7,16,18-19H2,1H3,(H,34,35)
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77 -40.2n/an/a 700n/an/a8.022



Amgen



Assay Description
The human PPARgamma ligand binding was directly measured using a filtration assay in a UniFilter 350 96-well assay plate (Polyfiltronics). The reacti...


Bioorg Med Chem Lett 19: 3550-4 (2009)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor

  (272/272 = 100%)
(Homo sapiens (human))
BDBM29877
PNG
(alkynyl ether, 19)
Show SMILES OC(=O)COc1ccc(Sc2ccc(COc3ccc(cc3)C(F)(F)F)cc2OCC#C)c2CCCCc12
Show InChI InChI=1S/C29H25F3O5S/c1-2-15-35-25-16-19(17-36-21-10-8-20(9-11-21)29(30,31)32)7-13-27(25)38-26-14-12-24(37-18-28(33)34)22-5-3-4-6-23(22)26/h1,7-14,16H,3-6,15,17-18H2,(H,33,34)
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1.20E+3 -33.5n/an/a 4.90E+3n/an/a8.022



Amgen



Assay Description
The human PPARgamma ligand binding was directly measured using a filtration assay in a UniFilter 350 96-well assay plate (Polyfiltronics). The reacti...


Bioorg Med Chem Lett 19: 3550-4 (2009)

More data for this
Ligand-Target Pair

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output