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PubMed code 8784454

Compile data set for download or QSAR
Found 76 hits of Enzyme Inhibition Constant Data   
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
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50052957
PNG
(4-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES Cc1cc2c(cc1S(=O)(=O)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C22H26O4S/c1-14-12-17-18(22(4,5)11-10-21(17,2)3)13-19(14)27(25,26)16-8-6-15(7-9-16)20(23)24/h6-9,12-13H,10-11H2,1-5H3,(H,23,24)
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n/an/an/an/a 2.80E+3n/an/an/an/a



Allergan, Inc

Curated by ChEMBL


Assay Description
Transcriptional activation of Retinoid X receptor RXR alpha


J Med Chem 39: 3556-63 (1996)


Article DOI: 10.1021/jm960386h
BindingDB Entry DOI: 10.7270/Q2959GNV
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50052959
PNG
(4-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES Cc1cc2c(cc1S(=O)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C22H26O3S/c1-14-12-17-18(22(4,5)11-10-21(17,2)3)13-19(14)26(25)16-8-6-15(7-9-16)20(23)24/h6-9,12-13H,10-11H2,1-5H3,(H,23,24)
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n/an/an/an/a 3.00E+3n/an/an/an/a



Allergan, Inc

Curated by ChEMBL


Assay Description
Transcriptional activation of Retinoid X receptor RXR beta


J Med Chem 39: 3556-63 (1996)


Article DOI: 10.1021/jm960386h
BindingDB Entry DOI: 10.7270/Q2959GNV
More data for this
Ligand-Target Pair
Retinoid X receptor alpha


(Mus musculus)
BDBM31883
PNG
(9-cis-retinoic acid (9cRA) | ALL-TRANS-RETINOIC AC...)
Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O |c:4|
Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+
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n/an/an/a 1.00E+3n/an/an/an/an/a



Allergan, Inc

Curated by ChEMBL


Assay Description
Dissociation constant for binding to Retinoid X receptor alpha


J Med Chem 39: 3556-63 (1996)


Article DOI: 10.1021/jm960386h
BindingDB Entry DOI: 10.7270/Q2959GNV
More data for this
Ligand-Target Pair
Retinoid X receptor alpha


(Mus musculus)
BDBM50052957
PNG
(4-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES Cc1cc2c(cc1S(=O)(=O)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C22H26O4S/c1-14-12-17-18(22(4,5)11-10-21(17,2)3)13-19(14)27(25,26)16-8-6-15(7-9-16)20(23)24/h6-9,12-13H,10-11H2,1-5H3,(H,23,24)
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n/an/an/a 2.52E+3n/an/an/an/an/a



Allergan, Inc

Curated by ChEMBL


Assay Description
Dissociation constant for binding to Retinoid X receptor alpha


J Med Chem 39: 3556-63 (1996)


Article DOI: 10.1021/jm960386h
BindingDB Entry DOI: 10.7270/Q2959GNV
More data for this
Ligand-Target Pair
Retinoic acid receptor gamma


(Mus musculus)
BDBM50052958
PNG
(4-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES Cc1cc2c(cc1Sc1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C22H26O2S/c1-14-12-17-18(22(4,5)11-10-21(17,2)3)13-19(14)25-16-8-6-15(7-9-16)20(23)24/h6-9,12-13H,10-11H2,1-5H3,(H,23,24)
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n/an/an/a 1.00E+4n/an/an/an/an/a



Allergan, Inc

Curated by ChEMBL


Assay Description
Dissociation constant for binding to Retinoic acid receptor gamma


J Med Chem 39: 3556-63 (1996)


Article DOI: 10.1021/jm960386h
BindingDB Entry DOI: 10.7270/Q2959GNV
More data for this
Ligand-Target Pair
Retinoic acid receptor beta


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



Allergan, Inc

Curated by ChEMBL


Assay Description
Dissociation constant for binding to Retinoic acid receptor beta


J Med Chem 39: 3556-63 (1996)


Article DOI: 10.1021/jm960386h
BindingDB Entry DOI: 10.7270/Q2959GNV
More data for this
Ligand-Target Pair
Retinoid X receptor gamma


(Mus musculus)
BDBM50052960
PNG
(2-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES Cc1cc2c(cc1Sc1ncc(s1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C19H23NO2S2/c1-11-8-12-13(19(4,5)7-6-18(12,2)3)9-14(11)23-17-20-10-15(24-17)16(21)22/h8-10H,6-7H2,1-5H3,(H,21,22)
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n/an/an/a 1.00E+3n/an/an/an/an/a



Allergan, Inc

Curated by ChEMBL


Assay Description
Dissociation constant for binding to Retinoid X receptor gamma


J Med Chem 39: 3556-63 (1996)


Article DOI: 10.1021/jm960386h
BindingDB Entry DOI: 10.7270/Q2959GNV
More data for this
Ligand-Target Pair
Retinoid X receptor alpha


(Mus musculus)
BDBM50052958
PNG
(4-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES Cc1cc2c(cc1Sc1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C22H26O2S/c1-14-12-17-18(22(4,5)11-10-21(17,2)3)13-19(14)25-16-8-6-15(7-9-16)20(23)24/h6-9,12-13H,10-11H2,1-5H3,(H,23,24)
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n/an/an/a 296n/an/an/an/an/a



Allergan, Inc

Curated by ChEMBL


Assay Description
Dissociation constant for binding to Retinoid X receptor alpha


J Med Chem 39: 3556-63 (1996)


Article DOI: 10.1021/jm960386h
BindingDB Entry DOI: 10.7270/Q2959GNV
More data for this
Ligand-Target Pair
Retinoid X receptor alpha


(Mus musculus)
BDBM50052959
PNG
(4-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES Cc1cc2c(cc1S(=O)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C22H26O3S/c1-14-12-17-18(22(4,5)11-10-21(17,2)3)13-19(14)26(25)16-8-6-15(7-9-16)20(23)24/h6-9,12-13H,10-11H2,1-5H3,(H,23,24)
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n/an/an/a 1.00E+4n/an/an/an/an/a



Allergan, Inc

Curated by ChEMBL


Assay Description
Dissociation constant for binding to Retinoid X receptor alpha


J Med Chem 39: 3556-63 (1996)


Article DOI: 10.1021/jm960386h
BindingDB Entry DOI: 10.7270/Q2959GNV
More data for this
Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50052959
PNG
(4-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES Cc1cc2c(cc1S(=O)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C22H26O3S/c1-14-12-17-18(22(4,5)11-10-21(17,2)3)13-19(14)26(25)16-8-6-15(7-9-16)20(23)24/h6-9,12-13H,10-11H2,1-5H3,(H,23,24)
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n/an/an/an/a 1.60E+3n/an/an/an/a



Allergan, Inc

Curated by ChEMBL


Assay Description
Transcriptional activation of Retinoid X receptor RXR gamma


J Med Chem 39: 3556-63 (1996)


Article DOI: 10.1021/jm960386h
BindingDB Entry DOI: 10.7270/Q2959GNV
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM31892
PNG
(9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin...)
Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O |c:4|
Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+
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n/an/an/an/a 50n/an/an/an/a



Allergan, Inc

Curated by ChEMBL


Assay Description
Transcriptional activation of Retinoic acid receptor RAR beta


J Med Chem 39: 3556-63 (1996)


Article DOI: 10.1021/jm960386h
BindingDB Entry DOI: 10.7270/Q2959GNV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoid receptor


(Homo sapiens (Human))
BDBM50052957
PNG
(4-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES Cc1cc2c(cc1S(=O)(=O)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C22H26O4S/c1-14-12-17-18(22(4,5)11-10-21(17,2)3)13-19(14)27(25,26)16-8-6-15(7-9-16)20(23)24/h6-9,12-13H,10-11H2,1-5H3,(H,23,24)
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n/an/an/an/a 2.60E+3n/an/an/an/a



Allergan, Inc

Curated by ChEMBL


Assay Description
Transcriptional activation of Retinoid X receptor RXR beta


J Med Chem 39: 3556-63 (1996)


Article DOI: 10.1021/jm960386h
BindingDB Entry DOI: 10.7270/Q2959GNV
More data for this
Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM31892
PNG
(9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin...)
Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O |c:4|
Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+
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n/an/an/an/a 191n/an/an/an/a



Allergan, Inc

Curated by ChEMBL


Assay Description
Transcriptional activation of Retinoic acid receptor RAR alpha


J Med Chem 39: 3556-63 (1996)


Article DOI: 10.1021/jm960386h
BindingDB Entry DOI: 10.7270/Q2959GNV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoid receptor


(Homo sapiens (Human))
BDBM31892
PNG
(9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin...)
Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O |c:4|
Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+
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n/an/an/an/a 200n/an/an/an/a



Allergan, Inc

Curated by ChEMBL


Assay Description
Transcriptional activation of Retinoid X receptor RXR beta


J Med Chem 39: 3556-63 (1996)


Article DOI: 10.1021/jm960386h
BindingDB Entry DOI: 10.7270/Q2959GNV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoic acid receptor beta


(Mus musculus)
BDBM50052960
PNG
(2-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES Cc1cc2c(cc1Sc1ncc(s1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C19H23NO2S2/c1-11-8-12-13(19(4,5)7-6-18(12,2)3)9-14(11)23-17-20-10-15(24-17)16(21)22/h8-10H,6-7H2,1-5H3,(H,21,22)
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n/an/an/a 1.00E+3n/an/an/an/an/a



Allergan, Inc

Curated by ChEMBL


Assay Description
Dissociation constant for binding to Retinoic acid receptor beta


J Med Chem 39: 3556-63 (1996)


Article DOI: 10.1021/jm960386h
BindingDB Entry DOI: 10.7270/Q2959GNV
More data for this
Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM31892
PNG
(9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin...)
Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O |c:4|
Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+
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n/an/an/an/a 140n/an/an/an/a



Allergan, Inc

Curated by ChEMBL


Assay Description
Transcriptional activation of Retinoid X receptor RXR gamma


J Med Chem 39: 3556-63 (1996)


Article DOI: 10.1021/jm960386h
BindingDB Entry DOI: 10.7270/Q2959GNV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoid X receptor beta


(Mus musculus)
BDBM50052959
PNG
(4-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES Cc1cc2c(cc1S(=O)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C22H26O3S/c1-14-12-17-18(22(4,5)11-10-21(17,2)3)13-19(14)26(25)16-8-6-15(7-9-16)20(23)24/h6-9,12-13H,10-11H2,1-5H3,(H,23,24)
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n/an/an/a 1.00E+4n/an/an/an/an/a



Allergan, Inc

Curated by ChEMBL


Assay Description
Dissociation constant for binding to Retinoid X receptor beta


J Med Chem 39: 3556-63 (1996)


Article DOI: 10.1021/jm960386h
BindingDB Entry DOI: 10.7270/Q2959GNV
More data for this
Ligand-Target Pair
Retinoic acid receptor alpha


(Mus musculus)
BDBM31892
PNG
(9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin...)
Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O |c:4|
Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+
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n/an/an/a 7n/an/an/an/an/a



Allergan, Inc

Curated by ChEMBL


Assay Description
Dissociation constant for binding to Retinoic acid receptor alpha


J Med Chem 39: 3556-63 (1996)


Article DOI: 10.1021/jm960386h
BindingDB Entry DOI: 10.7270/Q2959GNV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoic acid receptor alpha


(Mus musculus)
BDBM50052958
PNG
(4-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES Cc1cc2c(cc1Sc1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C22H26O2S/c1-14-12-17-18(22(4,5)11-10-21(17,2)3)13-19(14)25-16-8-6-15(7-9-16)20(23)24/h6-9,12-13H,10-11H2,1-5H3,(H,23,24)
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n/an/an/a 1.00E+4n/an/an/an/an/a



Allergan, Inc

Curated by ChEMBL


Assay Description
Dissociation constant for binding to Retinoic acid receptor alpha


J Med Chem 39: 3556-63 (1996)


Article DOI: 10.1021/jm960386h
BindingDB Entry DOI: 10.7270/Q2959GNV
More data for this
Ligand-Target Pair
Retinoid X receptor beta


(Mus musculus)
BDBM31883
PNG
(9-cis-retinoic acid (9cRA) | ALL-TRANS-RETINOIC AC...)
Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O |c:4|
Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+
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n/an/an/a 1.00E+3n/an/an/an/an/a



Allergan, Inc

Curated by ChEMBL


Assay Description
Dissociation constant for binding to Retinoid X receptor beta


J Med Chem 39: 3556-63 (1996)


Article DOI: 10.1021/jm960386h
BindingDB Entry DOI: 10.7270/Q2959GNV
More data for this
Ligand-Target Pair
Retinoic acid receptor alpha


(Mus musculus)
BDBM50052957
PNG
(4-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES Cc1cc2c(cc1S(=O)(=O)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C22H26O4S/c1-14-12-17-18(22(4,5)11-10-21(17,2)3)13-19(14)27(25,26)16-8-6-15(7-9-16)20(23)24/h6-9,12-13H,10-11H2,1-5H3,(H,23,24)
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n/an/an/a 1.00E+4n/an/an/an/an/a



Allergan, Inc

Curated by ChEMBL


Assay Description
Dissociation constant for binding to Retinoic acid receptor alpha


J Med Chem 39: 3556-63 (1996)


Article DOI: 10.1021/jm960386h
BindingDB Entry DOI: 10.7270/Q2959GNV
More data for this
Ligand-Target Pair
Retinoic acid receptor gamma


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



Allergan, Inc

Curated by ChEMBL


Assay Description
Dissociation constant for binding to Retinoic acid receptor gamma


J Med Chem 39: 3556-63 (1996)


Article DOI: 10.1021/jm960386h
BindingDB Entry DOI: 10.7270/Q2959GNV
More data for this
Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM31883
PNG
(9-cis-retinoic acid (9cRA) | ALL-TRANS-RETINOIC AC...)
Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O |c:4|
Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+
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n/an/an/an/a 1.10E+3n/an/an/an/a



Allergan, Inc

Curated by ChEMBL


Assay Description
Transcriptional activation of Retinoid X receptor RXR gamma


J Med Chem 39: 3556-63 (1996)


Article DOI: 10.1021/jm960386h
BindingDB Entry DOI: 10.7270/Q2959GNV
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50052962
PNG
(6-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES Cc1cc2c(cc1Sc1ccc(cn1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C21H25NO2S/c1-13-10-15-16(21(4,5)9-8-20(15,2)3)11-17(13)25-18-7-6-14(12-22-18)19(23)24/h6-7,10-12H,8-9H2,1-5H3,(H,23,24)
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n/an/an/an/a 57n/an/an/an/a



Allergan, Inc

Curated by ChEMBL


Assay Description
Transcriptional activation of Retinoid X receptor RXR beta


J Med Chem 39: 3556-63 (1996)


Article DOI: 10.1021/jm960386h
BindingDB Entry DOI: 10.7270/Q2959GNV
More data for this
Ligand-Target Pair
Retinoid receptor


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



Allergan, Inc

Curated by ChEMBL


Assay Description
Transcriptional activation of Retinoic acid receptor RAR gamma


J Med Chem 39: 3556-63 (1996)


Article DOI: 10.1021/jm960386h
BindingDB Entry DOI: 10.7270/Q2959GNV
More data for this
Ligand-Target Pair
Retinoic acid receptor beta


(Mus musculus)
BDBM50052958
PNG
(4-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES Cc1cc2c(cc1Sc1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C22H26O2S/c1-14-12-17-18(22(4,5)11-10-21(17,2)3)13-19(14)25-16-8-6-15(7-9-16)20(23)24/h6-9,12-13H,10-11H2,1-5H3,(H,23,24)
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n/an/an/a 1.00E+4n/an/an/an/an/a



Allergan, Inc

Curated by ChEMBL


Assay Description
Dissociation constant for binding to Retinoic acid receptor beta


J Med Chem 39: 3556-63 (1996)


Article DOI: 10.1021/jm960386h
BindingDB Entry DOI: 10.7270/Q2959GNV
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50052961
PNG
(4-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-naphthal...)
Show SMILES CC1(C)CCC(C)(C)c2cc(Sc3ccc(cc3)C(O)=O)ccc12
Show InChI InChI=1S/C21H24O2S/c1-20(2)11-12-21(3,4)18-13-16(9-10-17(18)20)24-15-7-5-14(6-8-15)19(22)23/h5-10,13H,11-12H2,1-4H3,(H,22,23)
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n/an/an/an/a 770n/an/an/an/a



Allergan, Inc

Curated by ChEMBL


Assay Description
Transcriptional activation of Retinoid X receptor RXR alpha


J Med Chem 39: 3556-63 (1996)


Article DOI: 10.1021/jm960386h
BindingDB Entry DOI: 10.7270/Q2959GNV
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM31892
PNG
(9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin...)
Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O |c:4|
Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+
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n/an/an/an/a 100n/an/an/an/a



Allergan, Inc

Curated by ChEMBL


Assay Description
Transcriptional activation of Retinoid X receptor RXR alpha


J Med Chem 39: 3556-63 (1996)


Article DOI: 10.1021/jm960386h
BindingDB Entry DOI: 10.7270/Q2959GNV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoid X receptor gamma


(Mus musculus)
BDBM50052957
PNG
(4-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES Cc1cc2c(cc1S(=O)(=O)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C22H26O4S/c1-14-12-17-18(22(4,5)11-10-21(17,2)3)13-19(14)27(25,26)16-8-6-15(7-9-16)20(23)24/h6-9,12-13H,10-11H2,1-5H3,(H,23,24)
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n/an/an/a 3.99E+3n/an/an/an/an/a



Allergan, Inc

Curated by ChEMBL


Assay Description
Dissociation constant for binding to Retinoid X receptor gamma


J Med Chem 39: 3556-63 (1996)


Article DOI: 10.1021/jm960386h
BindingDB Entry DOI: 10.7270/Q2959GNV
More data for this
Ligand-Target Pair
Retinoid X receptor gamma


(Mus musculus)
BDBM50052958
PNG
(4-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES Cc1cc2c(cc1Sc1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C22H26O2S/c1-14-12-17-18(22(4,5)11-10-21(17,2)3)13-19(14)25-16-8-6-15(7-9-16)20(23)24/h6-9,12-13H,10-11H2,1-5H3,(H,23,24)
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n/an/an/a 304n/an/an/an/an/a



Allergan, Inc

Curated by ChEMBL


Assay Description
Dissociation constant for binding to Retinoid X receptor gamma


J Med Chem 39: 3556-63 (1996)


Article DOI: 10.1021/jm960386h
BindingDB Entry DOI: 10.7270/Q2959GNV
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50052961
PNG
(4-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-naphthal...)
Show SMILES CC1(C)CCC(C)(C)c2cc(Sc3ccc(cc3)C(O)=O)ccc12
Show InChI InChI=1S/C21H24O2S/c1-20(2)11-12-21(3,4)18-13-16(9-10-17(18)20)24-15-7-5-14(6-8-15)19(22)23/h5-10,13H,11-12H2,1-4H3,(H,22,23)
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n/an/an/an/a 570n/an/an/an/a



Allergan, Inc

Curated by ChEMBL


Assay Description
Transcriptional activation of Retinoic acid receptor RAR beta


J Med Chem 39: 3556-63 (1996)


Article DOI: 10.1021/jm960386h
BindingDB Entry DOI: 10.7270/Q2959GNV
More data for this
Ligand-Target Pair
Retinoic acid receptor beta


(Mus musculus)
BDBM31892
PNG
(9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin...)
Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O |c:4|
Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+
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n/an/an/a 7n/an/an/an/an/a



Allergan, Inc

Curated by ChEMBL


Assay Description
Dissociation constant for binding to Retinoic acid receptor beta


J Med Chem 39: 3556-63 (1996)


Article DOI: 10.1021/jm960386h
BindingDB Entry DOI: 10.7270/Q2959GNV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoid receptor


(Homo sapiens (Human))
BDBM50052961
PNG
(4-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-naphthal...)
Show SMILES CC1(C)CCC(C)(C)c2cc(Sc3ccc(cc3)C(O)=O)ccc12
Show InChI InChI=1S/C21H24O2S/c1-20(2)11-12-21(3,4)18-13-16(9-10-17(18)20)24-15-7-5-14(6-8-15)19(22)23/h5-10,13H,11-12H2,1-4H3,(H,22,23)
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n/an/an/an/a 1.60E+3n/an/an/an/a



Allergan, Inc

Curated by ChEMBL


Assay Description
Transcriptional activation of Retinoid X receptor RXR beta


J Med Chem 39: 3556-63 (1996)


Article DOI: 10.1021/jm960386h
BindingDB Entry DOI: 10.7270/Q2959GNV
More data for this
Ligand-Target Pair
Retinoic acid receptor alpha


(Mus musculus)
BDBM50052960
PNG
(2-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES Cc1cc2c(cc1Sc1ncc(s1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C19H23NO2S2/c1-11-8-12-13(19(4,5)7-6-18(12,2)3)9-14(11)23-17-20-10-15(24-17)16(21)22/h8-10H,6-7H2,1-5H3,(H,21,22)
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n/an/an/a 1.00E+3n/an/an/an/an/a



Allergan, Inc

Curated by ChEMBL


Assay Description
Dissociation constant for binding to Retinoic acid receptor alpha


J Med Chem 39: 3556-63 (1996)


Article DOI: 10.1021/jm960386h
BindingDB Entry DOI: 10.7270/Q2959GNV
More data for this
Ligand-Target Pair
Retinoic acid receptor alpha


(Mus musculus)
BDBM50052961
PNG
(4-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-naphthal...)
Show SMILES CC1(C)CCC(C)(C)c2cc(Sc3ccc(cc3)C(O)=O)ccc12
Show InChI InChI=1S/C21H24O2S/c1-20(2)11-12-21(3,4)18-13-16(9-10-17(18)20)24-15-7-5-14(6-8-15)19(22)23/h5-10,13H,11-12H2,1-4H3,(H,22,23)
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n/an/an/a 4.08E+3n/an/an/an/an/a



Allergan, Inc

Curated by ChEMBL


Assay Description
Dissociation constant for binding to Retinoic acid receptor alpha


J Med Chem 39: 3556-63 (1996)


Article DOI: 10.1021/jm960386h
BindingDB Entry DOI: 10.7270/Q2959GNV
More data for this
Ligand-Target Pair
Retinoid X receptor beta


(Mus musculus)
BDBM50052957
PNG
(4-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES Cc1cc2c(cc1S(=O)(=O)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C22H26O4S/c1-14-12-17-18(22(4,5)11-10-21(17,2)3)13-19(14)27(25,26)16-8-6-15(7-9-16)20(23)24/h6-9,12-13H,10-11H2,1-5H3,(H,23,24)
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n/an/an/a 4.12E+3n/an/an/an/an/a



Allergan, Inc

Curated by ChEMBL


Assay Description
Dissociation constant for binding to Retinoid X receptor beta


J Med Chem 39: 3556-63 (1996)


Article DOI: 10.1021/jm960386h
BindingDB Entry DOI: 10.7270/Q2959GNV
More data for this
Ligand-Target Pair
Retinoid X receptor beta


(Mus musculus)
BDBM50052962
PNG
(6-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES Cc1cc2c(cc1Sc1ccc(cn1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C21H25NO2S/c1-13-10-15-16(21(4,5)9-8-20(15,2)3)11-17(13)25-18-7-6-14(12-22-18)19(23)24/h6-7,10-12H,8-9H2,1-5H3,(H,23,24)
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n/an/an/a 87n/an/an/an/an/a



Allergan, Inc

Curated by ChEMBL


Assay Description
Dissociation constant for binding to Retinoid X receptor beta


J Med Chem 39: 3556-63 (1996)


Article DOI: 10.1021/jm960386h
BindingDB Entry DOI: 10.7270/Q2959GNV
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50052962
PNG
(6-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES Cc1cc2c(cc1Sc1ccc(cn1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C21H25NO2S/c1-13-10-15-16(21(4,5)9-8-20(15,2)3)11-17(13)25-18-7-6-14(12-22-18)19(23)24/h6-7,10-12H,8-9H2,1-5H3,(H,23,24)
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n/an/an/an/a 54n/an/an/an/a



Allergan, Inc

Curated by ChEMBL


Assay Description
Transcriptional activation of Retinoid X receptor RXR alpha


J Med Chem 39: 3556-63 (1996)


Article DOI: 10.1021/jm960386h
BindingDB Entry DOI: 10.7270/Q2959GNV
More data for this
Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50052957
PNG
(4-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES Cc1cc2c(cc1S(=O)(=O)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C22H26O4S/c1-14-12-17-18(22(4,5)11-10-21(17,2)3)13-19(14)27(25,26)16-8-6-15(7-9-16)20(23)24/h6-9,12-13H,10-11H2,1-5H3,(H,23,24)
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n/an/an/an/a 2.60E+3n/an/an/an/a



Allergan, Inc

Curated by ChEMBL


Assay Description
Transcriptional activation of Retinoid X receptor RXR gamma


J Med Chem 39: 3556-63 (1996)


Article DOI: 10.1021/jm960386h
BindingDB Entry DOI: 10.7270/Q2959GNV
More data for this
Ligand-Target Pair
Retinoid X receptor alpha


(Mus musculus)
BDBM31892
PNG
(9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin...)
Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O |c:4|
Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+
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n/an/an/a 32n/an/an/an/an/a



Allergan, Inc

Curated by ChEMBL


Assay Description
Dissociation constant for binding to Retinoid X receptor alpha


J Med Chem 39: 3556-63 (1996)


Article DOI: 10.1021/jm960386h
BindingDB Entry DOI: 10.7270/Q2959GNV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoic acid receptor gamma


(Mus musculus)
BDBM50052957
PNG
(4-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES Cc1cc2c(cc1S(=O)(=O)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C22H26O4S/c1-14-12-17-18(22(4,5)11-10-21(17,2)3)13-19(14)27(25,26)16-8-6-15(7-9-16)20(23)24/h6-9,12-13H,10-11H2,1-5H3,(H,23,24)
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n/an/an/a 1.00E+4n/an/an/an/an/a



Allergan, Inc

Curated by ChEMBL


Assay Description
Dissociation constant for binding to Retinoic acid receptor gamma


J Med Chem 39: 3556-63 (1996)


Article DOI: 10.1021/jm960386h
BindingDB Entry DOI: 10.7270/Q2959GNV
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM31883
PNG
(9-cis-retinoic acid (9cRA) | ALL-TRANS-RETINOIC AC...)
Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O |c:4|
Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+
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n/an/an/an/a 1.40E+3n/an/an/an/a



Allergan, Inc

Curated by ChEMBL


Assay Description
Transcriptional activation of Retinoid X receptor RXR beta


J Med Chem 39: 3556-63 (1996)


Article DOI: 10.1021/jm960386h
BindingDB Entry DOI: 10.7270/Q2959GNV
More data for this
Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50052958
PNG
(4-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES Cc1cc2c(cc1Sc1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C22H26O2S/c1-14-12-17-18(22(4,5)11-10-21(17,2)3)13-19(14)25-16-8-6-15(7-9-16)20(23)24/h6-9,12-13H,10-11H2,1-5H3,(H,23,24)
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n/an/an/an/a 280n/an/an/an/a



Allergan, Inc

Curated by ChEMBL


Assay Description
Transcriptional activation of Retinoid X receptor RXR gamma


J Med Chem 39: 3556-63 (1996)


Article DOI: 10.1021/jm960386h
BindingDB Entry DOI: 10.7270/Q2959GNV
More data for this
Ligand-Target Pair
Retinoic acid receptor alpha


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



Allergan, Inc

Curated by ChEMBL


Assay Description
Dissociation constant for binding to Retinoic acid receptor alpha


J Med Chem 39: 3556-63 (1996)


Article DOI: 10.1021/jm960386h
BindingDB Entry DOI: 10.7270/Q2959GNV
More data for this
Ligand-Target Pair
Retinoid X receptor beta


(Mus musculus)
BDBM50052961
PNG
(4-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-naphthal...)
Show SMILES CC1(C)CCC(C)(C)c2cc(Sc3ccc(cc3)C(O)=O)ccc12
Show InChI InChI=1S/C21H24O2S/c1-20(2)11-12-21(3,4)18-13-16(9-10-17(18)20)24-15-7-5-14(6-8-15)19(22)23/h5-10,13H,11-12H2,1-4H3,(H,22,23)
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n/an/an/a 3.09E+3n/an/an/an/an/a



Allergan, Inc

Curated by ChEMBL


Assay Description
Dissociation constant for binding to Retinoid X receptor beta


J Med Chem 39: 3556-63 (1996)


Article DOI: 10.1021/jm960386h
BindingDB Entry DOI: 10.7270/Q2959GNV
More data for this
Ligand-Target Pair
Retinoid X receptor gamma


(Mus musculus)
BDBM31892
PNG
(9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin...)
Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O |c:4|
Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+
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n/an/an/a 4n/an/an/an/an/a



Allergan, Inc

Curated by ChEMBL


Assay Description
Dissociation constant for binding to Retinoid X receptor gamma


J Med Chem 39: 3556-63 (1996)


Article DOI: 10.1021/jm960386h
BindingDB Entry DOI: 10.7270/Q2959GNV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoic acid receptor alpha


(Mus musculus)
BDBM50052959
PNG
(4-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES Cc1cc2c(cc1S(=O)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C22H26O3S/c1-14-12-17-18(22(4,5)11-10-21(17,2)3)13-19(14)26(25)16-8-6-15(7-9-16)20(23)24/h6-9,12-13H,10-11H2,1-5H3,(H,23,24)
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n/an/an/a 1.00E+4n/an/an/an/an/a



Allergan, Inc

Curated by ChEMBL


Assay Description
Dissociation constant for binding to Retinoic acid receptor alpha


J Med Chem 39: 3556-63 (1996)


Article DOI: 10.1021/jm960386h
BindingDB Entry DOI: 10.7270/Q2959GNV
More data for this
Ligand-Target Pair
Retinoic acid receptor gamma


(Mus musculus)
BDBM31892
PNG
(9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin...)
Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O |c:4|
Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+
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n/an/an/a 17n/an/an/an/an/a



Allergan, Inc

Curated by ChEMBL


Assay Description
Dissociation constant for binding to Retinoic acid receptor gamma


J Med Chem 39: 3556-63 (1996)


Article DOI: 10.1021/jm960386h
BindingDB Entry DOI: 10.7270/Q2959GNV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoid receptor


(Homo sapiens (Human))
BDBM50052960
PNG
(2-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES Cc1cc2c(cc1Sc1ncc(s1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C19H23NO2S2/c1-11-8-12-13(19(4,5)7-6-18(12,2)3)9-14(11)23-17-20-10-15(24-17)16(21)22/h8-10H,6-7H2,1-5H3,(H,21,22)
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n/an/an/an/a 1.30E+3n/an/an/an/a



Allergan, Inc

Curated by ChEMBL


Assay Description
Transcriptional activation of Retinoid X receptor RXR beta


J Med Chem 39: 3556-63 (1996)


Article DOI: 10.1021/jm960386h
BindingDB Entry DOI: 10.7270/Q2959GNV
More data for this
Ligand-Target Pair
Retinoid X receptor beta


(Mus musculus)
BDBM50052960
PNG
(2-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES Cc1cc2c(cc1Sc1ncc(s1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C19H23NO2S2/c1-11-8-12-13(19(4,5)7-6-18(12,2)3)9-14(11)23-17-20-10-15(24-17)16(21)22/h8-10H,6-7H2,1-5H3,(H,21,22)
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n/an/an/a 1.00E+3n/an/an/an/an/a



Allergan, Inc

Curated by ChEMBL


Assay Description
Dissociation constant for binding to Retinoid X receptor beta


J Med Chem 39: 3556-63 (1996)


Article DOI: 10.1021/jm960386h
BindingDB Entry DOI: 10.7270/Q2959GNV
More data for this
Ligand-Target Pair
Retinoid X receptor beta


(Mus musculus)
BDBM50052958
PNG
(4-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES Cc1cc2c(cc1Sc1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C22H26O2S/c1-14-12-17-18(22(4,5)11-10-21(17,2)3)13-19(14)25-16-8-6-15(7-9-16)20(23)24/h6-9,12-13H,10-11H2,1-5H3,(H,23,24)
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n/an/an/a 302n/an/an/an/an/a



Allergan, Inc

Curated by ChEMBL


Assay Description
Dissociation constant for binding to Retinoid X receptor beta


J Med Chem 39: 3556-63 (1996)


Article DOI: 10.1021/jm960386h
BindingDB Entry DOI: 10.7270/Q2959GNV
More data for this
Ligand-Target Pair
Retinoid X receptor alpha


(Mus musculus)
BDBM50052960
PNG
(2-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES Cc1cc2c(cc1Sc1ncc(s1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C19H23NO2S2/c1-11-8-12-13(19(4,5)7-6-18(12,2)3)9-14(11)23-17-20-10-15(24-17)16(21)22/h8-10H,6-7H2,1-5H3,(H,21,22)
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n/an/an/a 1.00E+3n/an/an/an/an/a



Allergan, Inc

Curated by ChEMBL


Assay Description
Dissociation constant for binding to Retinoid X receptor alpha


J Med Chem 39: 3556-63 (1996)


Article DOI: 10.1021/jm960386h
BindingDB Entry DOI: 10.7270/Q2959GNV
More data for this
Ligand-Target Pair
Retinoic acid receptor beta


(Mus musculus)
BDBM50052961
PNG
(4-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-naphthal...)
Show SMILES CC1(C)CCC(C)(C)c2cc(Sc3ccc(cc3)C(O)=O)ccc12
Show InChI InChI=1S/C21H24O2S/c1-20(2)11-12-21(3,4)18-13-16(9-10-17(18)20)24-15-7-5-14(6-8-15)19(22)23/h5-10,13H,11-12H2,1-4H3,(H,22,23)
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n/an/an/a 4.24E+3n/an/an/an/an/a



Allergan, Inc

Curated by ChEMBL


Assay Description
Dissociation constant for binding to Retinoic acid receptor beta


J Med Chem 39: 3556-63 (1996)


Article DOI: 10.1021/jm960386h
BindingDB Entry DOI: 10.7270/Q2959GNV
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50052960
PNG
(2-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES Cc1cc2c(cc1Sc1ncc(s1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C19H23NO2S2/c1-11-8-12-13(19(4,5)7-6-18(12,2)3)9-14(11)23-17-20-10-15(24-17)16(21)22/h8-10H,6-7H2,1-5H3,(H,21,22)
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n/an/an/an/a 2.30E+3n/an/an/an/a



Allergan, Inc

Curated by ChEMBL


Assay Description
Transcriptional activation of Retinoid X receptor RXR alpha


J Med Chem 39: 3556-63 (1996)


Article DOI: 10.1021/jm960386h
BindingDB Entry DOI: 10.7270/Q2959GNV
More data for this
Ligand-Target Pair
Retinoic acid receptor gamma


(Mus musculus)
BDBM50052959
PNG
(4-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES Cc1cc2c(cc1S(=O)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C22H26O3S/c1-14-12-17-18(22(4,5)11-10-21(17,2)3)13-19(14)26(25)16-8-6-15(7-9-16)20(23)24/h6-9,12-13H,10-11H2,1-5H3,(H,23,24)
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n/an/an/a 1.00E+4n/an/an/an/an/a



Allergan, Inc

Curated by ChEMBL


Assay Description
Dissociation constant for binding to Retinoic acid receptor gamma


J Med Chem 39: 3556-63 (1996)


Article DOI: 10.1021/jm960386h
BindingDB Entry DOI: 10.7270/Q2959GNV
More data for this
Ligand-Target Pair
Retinoid X receptor beta


(Mus musculus)
BDBM31892
PNG
(9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin...)
Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O |c:4|
Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+
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n/an/an/a 12n/an/an/an/an/a



Allergan, Inc

Curated by ChEMBL


Assay Description
Dissociation constant for binding to Retinoid X receptor beta


J Med Chem 39: 3556-63 (1996)


Article DOI: 10.1021/jm960386h
BindingDB Entry DOI: 10.7270/Q2959GNV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50052962
PNG
(6-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES Cc1cc2c(cc1Sc1ccc(cn1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C21H25NO2S/c1-13-10-15-16(21(4,5)9-8-20(15,2)3)11-17(13)25-18-7-6-14(12-22-18)19(23)24/h6-7,10-12H,8-9H2,1-5H3,(H,23,24)
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n/an/an/an/a 42n/an/an/an/a



Allergan, Inc

Curated by ChEMBL


Assay Description
Transcriptional activation of Retinoid X receptor RXR gamma


J Med Chem 39: 3556-63 (1996)


Article DOI: 10.1021/jm960386h
BindingDB Entry DOI: 10.7270/Q2959GNV
More data for this
Ligand-Target Pair
Retinoid X receptor gamma


(Mus musculus)
BDBM50052962
PNG
(6-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES Cc1cc2c(cc1Sc1ccc(cn1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C21H25NO2S/c1-13-10-15-16(21(4,5)9-8-20(15,2)3)11-17(13)25-18-7-6-14(12-22-18)19(23)24/h6-7,10-12H,8-9H2,1-5H3,(H,23,24)
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n/an/an/a 73n/an/an/an/an/a



Allergan, Inc

Curated by ChEMBL


Assay Description
Dissociation constant for binding to Retinoid X receptor gamma


J Med Chem 39: 3556-63 (1996)


Article DOI: 10.1021/jm960386h
BindingDB Entry DOI: 10.7270/Q2959GNV
More data for this
Ligand-Target Pair
Retinoid X receptor alpha


(Mus musculus)
BDBM50052962
PNG
(6-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES Cc1cc2c(cc1Sc1ccc(cn1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C21H25NO2S/c1-13-10-15-16(21(4,5)9-8-20(15,2)3)11-17(13)25-18-7-6-14(12-22-18)19(23)24/h6-7,10-12H,8-9H2,1-5H3,(H,23,24)
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n/an/an/a 32n/an/an/an/an/a



Allergan, Inc

Curated by ChEMBL


Assay Description
Dissociation constant for binding to Retinoid X receptor alpha


J Med Chem 39: 3556-63 (1996)


Article DOI: 10.1021/jm960386h
BindingDB Entry DOI: 10.7270/Q2959GNV
More data for this
Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM31883
PNG
(9-cis-retinoic acid (9cRA) | ALL-TRANS-RETINOIC AC...)
Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O |c:4|
Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+
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n/an/an/an/a 350n/an/an/an/a



Allergan, Inc

Curated by ChEMBL


Assay Description
Transcriptional activation of Retinoic acid receptor RAR alpha


J Med Chem 39: 3556-63 (1996)


Article DOI: 10.1021/jm960386h
BindingDB Entry DOI: 10.7270/Q2959GNV
More data for this
Ligand-Target Pair
Retinoid X receptor alpha


(Mus musculus)
BDBM50052961
PNG
(4-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-naphthal...)
Show SMILES CC1(C)CCC(C)(C)c2cc(Sc3ccc(cc3)C(O)=O)ccc12
Show InChI InChI=1S/C21H24O2S/c1-20(2)11-12-21(3,4)18-13-16(9-10-17(18)20)24-15-7-5-14(6-8-15)19(22)23/h5-10,13H,11-12H2,1-4H3,(H,22,23)
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n/an/an/a 3.87E+3n/an/an/an/an/a



Allergan, Inc

Curated by ChEMBL


Assay Description
Dissociation constant for binding to Retinoid X receptor alpha


J Med Chem 39: 3556-63 (1996)


Article DOI: 10.1021/jm960386h
BindingDB Entry DOI: 10.7270/Q2959GNV
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50052961
PNG
(4-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-naphthal...)
Show SMILES CC1(C)CCC(C)(C)c2cc(Sc3ccc(cc3)C(O)=O)ccc12
Show InChI InChI=1S/C21H24O2S/c1-20(2)11-12-21(3,4)18-13-16(9-10-17(18)20)24-15-7-5-14(6-8-15)19(22)23/h5-10,13H,11-12H2,1-4H3,(H,22,23)
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n/an/an/an/a 340n/an/an/an/a



Allergan, Inc

Curated by ChEMBL


Assay Description
Transcriptional activation of Retinoic acid receptor RAR gamma


J Med Chem 39: 3556-63 (1996)


Article DOI: 10.1021/jm960386h
BindingDB Entry DOI: 10.7270/Q2959GNV
More data for this
Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50052961
PNG
(4-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-naphthal...)
Show SMILES CC1(C)CCC(C)(C)c2cc(Sc3ccc(cc3)C(O)=O)ccc12
Show InChI InChI=1S/C21H24O2S/c1-20(2)11-12-21(3,4)18-13-16(9-10-17(18)20)24-15-7-5-14(6-8-15)19(22)23/h5-10,13H,11-12H2,1-4H3,(H,22,23)
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n/an/an/an/a 1.60E+3n/an/an/an/a



Allergan, Inc

Curated by ChEMBL


Assay Description
Transcriptional activation of Retinoid X receptor RXR gamma


J Med Chem 39: 3556-63 (1996)


Article DOI: 10.1021/jm960386h
BindingDB Entry DOI: 10.7270/Q2959GNV
More data for this
Ligand-Target Pair
Retinoic acid receptor gamma


(Mus musculus)
BDBM50052961
PNG
(4-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-naphthal...)
Show SMILES CC1(C)CCC(C)(C)c2cc(Sc3ccc(cc3)C(O)=O)ccc12
Show InChI InChI=1S/C21H24O2S/c1-20(2)11-12-21(3,4)18-13-16(9-10-17(18)20)24-15-7-5-14(6-8-15)19(22)23/h5-10,13H,11-12H2,1-4H3,(H,22,23)
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n/an/an/a>1.00E+4n/an/an/an/an/a



Allergan, Inc

Curated by ChEMBL


Assay Description
Dissociation constant for binding to Retinoic acid receptor gamma


J Med Chem 39: 3556-63 (1996)


Article DOI: 10.1021/jm960386h
BindingDB Entry DOI: 10.7270/Q2959GNV
More data for this
Ligand-Target Pair
Retinoid X receptor gamma


(Mus musculus)
BDBM50052961
PNG
(4-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-naphthal...)
Show SMILES CC1(C)CCC(C)(C)c2cc(Sc3ccc(cc3)C(O)=O)ccc12
Show InChI InChI=1S/C21H24O2S/c1-20(2)11-12-21(3,4)18-13-16(9-10-17(18)20)24-15-7-5-14(6-8-15)19(22)23/h5-10,13H,11-12H2,1-4H3,(H,22,23)
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n/an/an/a 2.85E+3n/an/an/an/an/a



Allergan, Inc

Curated by ChEMBL


Assay Description
Dissociation constant for binding to Retinoid X receptor gamma


J Med Chem 39: 3556-63 (1996)


Article DOI: 10.1021/jm960386h
BindingDB Entry DOI: 10.7270/Q2959GNV
More data for this
Ligand-Target Pair
Retinoic acid receptor gamma


(Mus musculus)
BDBM50052960
PNG
(2-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES Cc1cc2c(cc1Sc1ncc(s1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C19H23NO2S2/c1-11-8-12-13(19(4,5)7-6-18(12,2)3)9-14(11)23-17-20-10-15(24-17)16(21)22/h8-10H,6-7H2,1-5H3,(H,21,22)
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n/an/an/a 1.00E+3n/an/an/an/an/a



Allergan, Inc

Curated by ChEMBL


Assay Description
Dissociation constant for binding to Retinoic acid receptor gamma


J Med Chem 39: 3556-63 (1996)


Article DOI: 10.1021/jm960386h
BindingDB Entry DOI: 10.7270/Q2959GNV
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM31883
PNG
(9-cis-retinoic acid (9cRA) | ALL-TRANS-RETINOIC AC...)
Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O |c:4|
Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+
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n/an/an/an/a 80n/an/an/an/a



Allergan, Inc

Curated by ChEMBL


Assay Description
Transcriptional activation of Retinoic acid receptor RAR beta


J Med Chem 39: 3556-63 (1996)


Article DOI: 10.1021/jm960386h
BindingDB Entry DOI: 10.7270/Q2959GNV
More data for this
Ligand-Target Pair
Retinoid X receptor gamma


(Mus musculus)
BDBM31883
PNG
(9-cis-retinoic acid (9cRA) | ALL-TRANS-RETINOIC AC...)
Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O |c:4|
Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+
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n/an/an/a 350n/an/an/an/an/a



Allergan, Inc

Curated by ChEMBL


Assay Description
Dissociation constant for binding to Retinoid X receptor gamma


J Med Chem 39: 3556-63 (1996)


Article DOI: 10.1021/jm960386h
BindingDB Entry DOI: 10.7270/Q2959GNV
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM31883
PNG
(9-cis-retinoic acid (9cRA) | ALL-TRANS-RETINOIC AC...)
Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O |c:4|
Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+
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n/an/an/an/a 900n/an/an/an/a



Allergan, Inc

Curated by ChEMBL


Assay Description
Transcriptional activation of Retinoid X receptor RXR alpha


J Med Chem 39: 3556-63 (1996)


Article DOI: 10.1021/jm960386h
BindingDB Entry DOI: 10.7270/Q2959GNV
More data for this
Ligand-Target Pair
Retinoic acid receptor beta


(Mus musculus)
BDBM50052959
PNG
(4-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES Cc1cc2c(cc1S(=O)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C22H26O3S/c1-14-12-17-18(22(4,5)11-10-21(17,2)3)13-19(14)26(25)16-8-6-15(7-9-16)20(23)24/h6-9,12-13H,10-11H2,1-5H3,(H,23,24)
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n/an/an/a 1.00E+4n/an/an/an/an/a



Allergan, Inc

Curated by ChEMBL


Assay Description
Dissociation constant for binding to Retinoic acid receptor beta


J Med Chem 39: 3556-63 (1996)


Article DOI: 10.1021/jm960386h
BindingDB Entry DOI: 10.7270/Q2959GNV
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50052958
PNG
(4-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES Cc1cc2c(cc1Sc1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C22H26O2S/c1-14-12-17-18(22(4,5)11-10-21(17,2)3)13-19(14)25-16-8-6-15(7-9-16)20(23)24/h6-9,12-13H,10-11H2,1-5H3,(H,23,24)
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n/an/an/an/a 280n/an/an/an/a



Allergan, Inc

Curated by ChEMBL


Assay Description
Transcriptional activation of Retinoid X receptor RXR alpha;NA=not active


J Med Chem 39: 3556-63 (1996)


Article DOI: 10.1021/jm960386h
BindingDB Entry DOI: 10.7270/Q2959GNV
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM31892
PNG
(9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin...)
Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O |c:4|
Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+
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n/an/an/an/a 45n/an/an/an/a



Allergan, Inc

Curated by ChEMBL


Assay Description
Transcriptional activation of Retinoic acid receptor RAR gamma


J Med Chem 39: 3556-63 (1996)


Article DOI: 10.1021/jm960386h
BindingDB Entry DOI: 10.7270/Q2959GNV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoic acid receptor beta


(Mus musculus)
BDBM50052957
PNG
(4-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES Cc1cc2c(cc1S(=O)(=O)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C22H26O4S/c1-14-12-17-18(22(4,5)11-10-21(17,2)3)13-19(14)27(25,26)16-8-6-15(7-9-16)20(23)24/h6-9,12-13H,10-11H2,1-5H3,(H,23,24)
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n/an/an/a 1.00E+4n/an/an/an/an/a



Allergan, Inc

Curated by ChEMBL


Assay Description
Dissociation constant for binding to Retinoic acid receptor beta


J Med Chem 39: 3556-63 (1996)


Article DOI: 10.1021/jm960386h
BindingDB Entry DOI: 10.7270/Q2959GNV
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50052958
PNG
(4-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES Cc1cc2c(cc1Sc1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C22H26O2S/c1-14-12-17-18(22(4,5)11-10-21(17,2)3)13-19(14)25-16-8-6-15(7-9-16)20(23)24/h6-9,12-13H,10-11H2,1-5H3,(H,23,24)
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n/an/an/an/a 300n/an/an/an/a



Allergan, Inc

Curated by ChEMBL


Assay Description
Transcriptional activation of Retinoid X receptor RXR beta


J Med Chem 39: 3556-63 (1996)


Article DOI: 10.1021/jm960386h
BindingDB Entry DOI: 10.7270/Q2959GNV
More data for this
Ligand-Target Pair
Retinoid X receptor gamma


(Mus musculus)
BDBM50052959
PNG
(4-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES Cc1cc2c(cc1S(=O)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C22H26O3S/c1-14-12-17-18(22(4,5)11-10-21(17,2)3)13-19(14)26(25)16-8-6-15(7-9-16)20(23)24/h6-9,12-13H,10-11H2,1-5H3,(H,23,24)
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n/an/an/a 1.00E+4n/an/an/an/an/a



Allergan, Inc

Curated by ChEMBL


Assay Description
Dissociation constant for binding to Retinoid X receptor gamma


J Med Chem 39: 3556-63 (1996)


Article DOI: 10.1021/jm960386h
BindingDB Entry DOI: 10.7270/Q2959GNV
More data for this
Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50052960
PNG
(2-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES Cc1cc2c(cc1Sc1ncc(s1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C19H23NO2S2/c1-11-8-12-13(19(4,5)7-6-18(12,2)3)9-14(11)23-17-20-10-15(24-17)16(21)22/h8-10H,6-7H2,1-5H3,(H,21,22)
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n/an/an/an/a 1.90E+3n/an/an/an/a



Allergan, Inc

Curated by ChEMBL


Assay Description
Transcriptional activation of Retinoid X receptor RXR gamma


J Med Chem 39: 3556-63 (1996)


Article DOI: 10.1021/jm960386h
BindingDB Entry DOI: 10.7270/Q2959GNV
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%