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BDBM50032219 (E)-4-(2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)prop-1-enyl)benzoic acid::4-(2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)prop-1-enyl)benzoic acid::4-[(1E)-2-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)PROP-1-ENYL]BENZOIC ACID::4-[(E)-2-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-naphthalen-2-yl)-propenyl]-benzoic acid::4-[(E)-2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-1-propenyl]benzoic acid::4-[2-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-naphthalen-2-yl)-propenyl]-benzoic acid::CHEMBL275311::US9963439, TTNPB

SMILES: C\C(=C/c1ccc(cc1)C(O)=O)c1ccc2c(c1)C(C)(C)CCC2(C)C

InChI Key: InChIKey=FOIVPCKZDPCJJY-JQIJEIRASA-N

Data: 5 KI  8 IC50  4 Kd  28 EC50

PDB links: 2 PDB IDs match this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 45 hits for monomerid = 50032219   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Retinoic acid receptor RXR-alpha/Retinoic acid receptor beta


(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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0.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards cRARbeta2 receptor by displacing 1.1 nM 3[H]-9-cis-RA


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


Article DOI: 10.1016/S0960-894X(97)00420-4
BindingDB Entry DOI: 10.7270/Q2Z89CDD
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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0.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards cRARbeta2 receptor by displacing 0.82 nM 3[H]-all-trans-RA


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


Article DOI: 10.1016/S0960-894X(97)00420-4
BindingDB Entry DOI: 10.7270/Q2Z89CDD
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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5n/an/an/an/an/an/an/an/a



CIRD GALDERMA

Curated by ChEMBL


Assay Description
Binding affinity to retinoic acid receptor beta using [3H]-CD 367 as radioligand


J Med Chem 38: 4993-5006 (1996)


Article DOI: 10.1021/jm00026a006
BindingDB Entry DOI: 10.7270/Q20G3J8S
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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5n/an/an/an/an/an/an/an/a



CIRD GALDERMA

Curated by ChEMBL


Assay Description
Binding affinity to retinoic acid receptor (RAR) gamma using [3H]-CD 367 as radioligand


J Med Chem 38: 4993-5006 (1996)


Article DOI: 10.1021/jm00026a006
BindingDB Entry DOI: 10.7270/Q20G3J8S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoid X receptor gamma/retinoic acid receptor alpha


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



CIRD GALDERMA

Curated by ChEMBL


Assay Description
Binding affinity to retinoic acid receptor alpha using [3H]-CD 367 as radioligand


J Med Chem 38: 4993-5006 (1996)


Article DOI: 10.1021/jm00026a006
BindingDB Entry DOI: 10.7270/Q20G3J8S
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/a>1.00E+3n/an/an/an/an/an/a



Ligand Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Binding affinity against retinoic Acid X beta receptor using [3H]- -9-cis-Retinoic Acid in competitive binding assay


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
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50032219
PNG
((E)-4-(2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydrona...)
Show SMILES C\C(=C/c1ccc(cc1)C(O)=O)c1ccc2c(c1)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H28O2/c1-16(14-17-6-8-18(9-7-17)22(25)26)19-10-11-20-21(15-19)24(4,5)13-12-23(20,2)3/h6-11,14-15H,12-13H2,1-5H3,(H,25,26)/b16-14+
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n/an/a>1.00E+3n/an/an/an/an/an/a



Ligand Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Binding affinity against retinoic Acid X alpha receptor using [3H]- -9-cis-Retinoic Acid in competitive binding assay


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
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 2n/an/an/an/a



Ligand Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Binding affinity against retinoic Acid gamma 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)
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50032219
PNG
((E)-4-(2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydrona...)
Show SMILES C\C(=C/c1ccc(cc1)C(O)=O)c1ccc2c(c1)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H28O2/c1-16(14-17-6-8-18(9-7-17)22(25)26)19-10-11-20-21(15-19)24(4,5)13-12-23(20,2)3/h6-11,14-15H,12-13H2,1-5H3,(H,25,26)/b16-14+
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n/an/an/an/a>1.00E+4n/an/an/an/a



Ligand Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Binding affinity against retinoic Acid X gamma 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
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/a 5n/an/an/an/an/an/a



Ligand Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Binding affinity against retinoic Acid beta receptor using [3H]- -9-cis-Retinoic Acid in competitive binding assay


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


(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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PubMed
n/an/an/an/a>0.00100n/an/an/an/a



Allergan Inc

Curated by ChEMBL


Assay Description
Transcriptional activation of Retinoid X receptor RXR alpha


J Med Chem 38: 2820-9 (1995)


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


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



Allergan Inc

Curated by ChEMBL


Assay Description
Transcriptional activation of Retinoic acid receptor RAR alpha


J Med Chem 38: 2820-9 (1995)


Article DOI: 10.1021/jm00015a004
BindingDB Entry DOI: 10.7270/Q2FN157S
More data for this
Ligand-Target Pair
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 2.40n/an/an/an/a



Allergan Inc

Curated by ChEMBL


Assay Description
Transcriptional activation of Retinoic acid receptor RAR gamma


J Med Chem 38: 2820-9 (1995)


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



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)
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 24n/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Effective concentration against RAR-gamma receptor


J Med Chem 36: 2605-13 (1993)


Article DOI: 10.1021/jm00070a003
BindingDB Entry DOI: 10.7270/Q21R6PKP
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 6n/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Effective concentration against Retinoic acid receptor beta


J Med Chem 36: 2605-13 (1993)


Article DOI: 10.1021/jm00070a003
BindingDB Entry DOI: 10.7270/Q21R6PKP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50032219
PNG
((E)-4-(2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydrona...)
Show SMILES C\C(=C/c1ccc(cc1)C(O)=O)c1ccc2c(c1)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H28O2/c1-16(14-17-6-8-18(9-7-17)22(25)26)19-10-11-20-21(15-19)24(4,5)13-12-23(20,2)3/h6-11,14-15H,12-13H2,1-5H3,(H,25,26)/b16-14+
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n/an/an/an/a 85n/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Effective concentration against RAR-alpha receptor


J Med Chem 36: 2605-13 (1993)


Article DOI: 10.1021/jm00070a003
BindingDB Entry DOI: 10.7270/Q21R6PKP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50032219
PNG
((E)-4-(2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydrona...)
Show SMILES C\C(=C/c1ccc(cc1)C(O)=O)c1ccc2c(c1)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H28O2/c1-16(14-17-6-8-18(9-7-17)22(25)26)19-10-11-20-21(15-19)24(4,5)13-12-23(20,2)3/h6-11,14-15H,12-13H2,1-5H3,(H,25,26)/b16-14+
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n/an/a>1.00E+3n/an/an/an/an/an/a



Ligand Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Binding affinity against retinoic Acid X gamma receptor using [3H]- -9-cis-Retinoic Acid in competitive binding assay


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
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50032219
PNG
((E)-4-(2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydrona...)
Show SMILES C\C(=C/c1ccc(cc1)C(O)=O)c1ccc2c(c1)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H28O2/c1-16(14-17-6-8-18(9-7-17)22(25)26)19-10-11-20-21(15-19)24(4,5)13-12-23(20,2)3/h6-11,14-15H,12-13H2,1-5H3,(H,25,26)/b16-14+
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n/an/an/an/a>1.00E+4n/an/an/an/a



Ligand Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Binding affinity against retinoic Acid X alpha 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
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)
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50032219
PNG
((E)-4-(2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydrona...)
Show SMILES C\C(=C/c1ccc(cc1)C(O)=O)c1ccc2c(c1)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H28O2/c1-16(14-17-6-8-18(9-7-17)22(25)26)19-10-11-20-21(15-19)24(4,5)13-12-23(20,2)3/h6-11,14-15H,12-13H2,1-5H3,(H,25,26)/b16-14+
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n/an/an/an/a 30n/an/an/an/a



Ligand Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Binding affinity against retinoic Acid alpha 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)
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>1.00E+4n/an/an/an/a



Ligand Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Binding affinity against retinoic Acid X 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
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/a 26n/an/an/an/an/an/a



Ligand Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Binding affinity against retinoic Acid gamma receptor using [3H]- -9-cis-Retinoic Acid in competitive binding assay


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)
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50032219
PNG
((E)-4-(2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydrona...)
Show SMILES C\C(=C/c1ccc(cc1)C(O)=O)c1ccc2c(c1)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H28O2/c1-16(14-17-6-8-18(9-7-17)22(25)26)19-10-11-20-21(15-19)24(4,5)13-12-23(20,2)3/h6-11,14-15H,12-13H2,1-5H3,(H,25,26)/b16-14+
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n/an/an/an/a 0.180n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.bmcl.2014.09.053
BindingDB Entry DOI: 10.7270/Q2S46TKZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nuclear receptor ROR-gamma (RORC)


(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 9.00E+3n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inverse agonist activity at human RoRc-LBD fusion protein with GST expressed in BL-21 (BL3) cells assessed as SRC1 coactivator peptide recruitment


J Med Chem 57: 5871-92 (2014)


Article DOI: 10.1021/jm401901d
BindingDB Entry DOI: 10.7270/Q2M0473Z
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/a 26n/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Dissociation constant for Retinoic acid receptor gamma


J Med Chem 48: 6212-9 (2005)


Article DOI: 10.1021/jm050285w
BindingDB Entry DOI: 10.7270/Q26D5SJ6
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 2n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity for retinoic acid receptor RAR gamma 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 X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50032219
PNG
((E)-4-(2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydrona...)
Show SMILES C\C(=C/c1ccc(cc1)C(O)=O)c1ccc2c(c1)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H28O2/c1-16(14-17-6-8-18(9-7-17)22(25)26)19-10-11-20-21(15-19)24(4,5)13-12-23(20,2)3/h6-11,14-15H,12-13H2,1-5H3,(H,25,26)/b16-14+
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n/an/an/an/a 30n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity for retinoic acid receptor RAR alpha 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))
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))
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 2.40n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Transcriptional activation of retinoic acid receptor RAR gamma


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)
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)
Retinoid X receptor gamma/retinoic acid receptor alpha


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



TBA

Curated by ChEMBL


Assay Description
Transcriptional activation of retinoic acid receptor RAR alpha


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


(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 1.00E+4n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Transcriptional activation of retinoid X receptor RXR alpha; not active


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))
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 2.40n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Transcriptional activation for RAR gamma receptor


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


Article DOI: 10.1016/S0960-894X(01)80511-4
BindingDB Entry DOI: 10.7270/Q2B8582K
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoid X receptor gamma/retinoic acid receptor alpha


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



TBA

Curated by ChEMBL


Assay Description
Transcriptional activation for RAR alpha 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 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/a 26n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for Retinoic acid receptor gamma


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



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)
Cytochrome CYP26A1


(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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US Patent
n/an/a 5.60E+3n/an/an/an/an/an/a



University of Washington Through its Center for Commercialization

US Patent


Assay Description
Eighteen compounds were tested as potential inhibitors of CYP26A1 and CYP26B1. The formation of 9-cis-4-OH-RA metabolite was monitored and the percen...


US Patent US9963439 (2018)


BindingDB Entry DOI: 10.7270/Q2FN18J2
More data for this
Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50032219
PNG
((E)-4-(2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydrona...)
Show SMILES C\C(=C/c1ccc(cc1)C(O)=O)c1ccc2c(c1)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H28O2/c1-16(14-17-6-8-18(9-7-17)22(25)26)19-10-11-20-21(15-19)24(4,5)13-12-23(20,2)3/h6-11,14-15H,12-13H2,1-5H3,(H,25,26)/b16-14+
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PubMed
n/an/a 36n/an/an/an/an/an/a



Ligand Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Binding affinity against retinoic Acid alpha receptor using [3H]- -9-cis-Retinoic Acid in competitive binding assay


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)
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50032219
PNG
((E)-4-(2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydrona...)
Show SMILES C\C(=C/c1ccc(cc1)C(O)=O)c1ccc2c(c1)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H28O2/c1-16(14-17-6-8-18(9-7-17)22(25)26)19-10-11-20-21(15-19)24(4,5)13-12-23(20,2)3/h6-11,14-15H,12-13H2,1-5H3,(H,25,26)/b16-14+
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n/an/an/an/a 30n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Transactivation potency 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
3D
3D Structure (crystal)
Retinoic acid receptor alpha/Retinoid X receptor alpha


(Homo sapiens (Human))
BDBM50032219
PNG
((E)-4-(2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydrona...)
Show SMILES C\C(=C/c1ccc(cc1)C(O)=O)c1ccc2c(c1)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H28O2/c1-16(14-17-6-8-18(9-7-17)22(25)26)19-10-11-20-21(15-19)24(4,5)13-12-23(20,2)3/h6-11,14-15H,12-13H2,1-5H3,(H,25,26)/b16-14+
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n/an/an/a 36n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for Retinoic acid receptor gamma


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)
Retinoic acid receptor RXR-alpha/gamma


(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 2n/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
3D
3D Structure (crystal)
Cytochrome P450 3A


(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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US Patent
n/an/a 3.70E+3n/an/an/an/an/an/a



University of Washington Through its Center for Commercialization

US Patent


Assay Description
Compounds were assessed for inhibition (IC50, n=2) of CYP2C8, CYP2C9 and CYP3A4 in pooled human liver microsomes using selective probe substrates at ...


US Patent US9963439 (2018)


BindingDB Entry DOI: 10.7270/Q2FN18J2
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha/Retinoic acid receptor beta


(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/a 5n/an/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
3D
3D Structure (crystal)