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Compile Data Set for Download or QSAR

Found 29 hits Enz. Inhib. hit(s) with Target = 'RXR alpha/PPAR gamma' and Ligand = 'BDBM50032675'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
RXR alpha/PPAR gamma


(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


(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)
RXR alpha/PPAR gamma


(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)
RXR alpha/PPAR gamma


(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


(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)
RXR alpha/PPAR gamma


(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)
RXR alpha/PPAR gamma


(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


(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)
RXR alpha/PPAR gamma


(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


(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)
RXR alpha/PPAR gamma


(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)
RXR alpha/PPAR gamma


(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)
RXR alpha/PPAR gamma


(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


(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


(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


(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)
RXR alpha/PPAR gamma


(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)
RXR alpha/PPAR gamma


(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


(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)
RXR alpha/PPAR gamma


(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


(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


(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


(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


(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


(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


(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


(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)
RXR alpha/PPAR gamma


(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


(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)