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Compile Data Set for Download or QSAR

Found 116 hits with Last Name = 'song' and Initial = 'tk'   
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 beta


(Homo sapiens (Human))
BDBM50286562
PNG
(6-(2,6,6-Trimethyl-cyclohex-1-enylethynyl)-naphtha...)
Show SMILES CC1=C(C#Cc2ccc3cc(ccc3c2)C(O)=O)C(C)(C)CCC1 |c:1|
Show InChI InChI=1S/C22H22O2/c1-15-5-4-12-22(2,3)20(15)11-7-16-6-8-18-14-19(21(23)24)10-9-17(18)13-16/h6,8-10,13-14H,4-5,12H2,1-3H3,(H,23,24)
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n/an/an/an/a 355n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Transcriptional activation of retinoic acid receptor RAR beta


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


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


(Homo sapiens (Human))
BDBM50029774
PNG
(4-(5,5-Dimethyl-8-p-tolyl-5,6-dihydro-naphthalen-2...)
Show SMILES Cc1ccc(cc1)C1=CCC(C)(C)c2ccc(cc12)C#Cc1ccc(cc1)C(O)=O |t:8|
Show InChI InChI=1S/C28H24O2/c1-19-4-11-22(12-5-19)24-16-17-28(2,3)26-15-10-21(18-25(24)26)7-6-20-8-13-23(14-9-20)27(29)30/h4-5,8-16,18H,17H2,1-3H3,(H,29,30)
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n/an/an/a 2n/an/an/an/an/a



Allergan Inc.

Curated by ChEMBL


Assay Description
Binding constant for baculovirus-expressed Retinoic acid receptor RAR alpha


J Med Chem 38: 4764-7 (1996)


BindingDB Entry DOI: 10.7270/Q22N5194
More data for this
Ligand-Target Pair
Retinoic acid receptor gamma


(Homo sapiens (Human))
BDBM50029774
PNG
(4-(5,5-Dimethyl-8-p-tolyl-5,6-dihydro-naphthalen-2...)
Show SMILES Cc1ccc(cc1)C1=CCC(C)(C)c2ccc(cc12)C#Cc1ccc(cc1)C(O)=O |t:8|
Show InChI InChI=1S/C28H24O2/c1-19-4-11-22(12-5-19)24-16-17-28(2,3)26-15-10-21(18-25(24)26)7-6-20-8-13-23(14-9-20)27(29)30/h4-5,8-16,18H,17H2,1-3H3,(H,29,30)
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n/an/an/a 3n/an/an/an/an/a



Allergan Inc.

Curated by ChEMBL


Assay Description
Binding constant for baculovirus-expressed Retinoic acid receptor RAR gamma


J Med Chem 38: 4764-7 (1996)


BindingDB Entry DOI: 10.7270/Q22N5194
More data for this
Ligand-Target Pair
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 7n/an/an/an/a



Allergan Inc.

Curated by ChEMBL


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


J Med Chem 38: 4764-7 (1996)


BindingDB Entry DOI: 10.7270/Q22N5194
More data for this
Ligand-Target Pair
Retinoic acid receptor beta


(Homo sapiens (Human))
BDBM50029774
PNG
(4-(5,5-Dimethyl-8-p-tolyl-5,6-dihydro-naphthalen-2...)
Show SMILES Cc1ccc(cc1)C1=CCC(C)(C)c2ccc(cc12)C#Cc1ccc(cc1)C(O)=O |t:8|
Show InChI InChI=1S/C28H24O2/c1-19-4-11-22(12-5-19)24-16-17-28(2,3)26-15-10-21(18-25(24)26)7-6-20-8-13-23(14-9-20)27(29)30/h4-5,8-16,18H,17H2,1-3H3,(H,29,30)
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n/an/an/a 2n/an/an/an/an/a



Allergan Inc.

Curated by ChEMBL


Assay Description
Binding constant for baculovirus-expressed Retinoic acid receptor RAR beta


J Med Chem 38: 4764-7 (1996)


BindingDB Entry DOI: 10.7270/Q22N5194
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/a 9n/an/an/an/an/a



Allergan Inc.

Curated by ChEMBL


Assay Description
Relative activity against Retinoid X receptor RXR-alpha compared to 9-cis-RA


J Med Chem 38: 4764-7 (1996)


BindingDB Entry DOI: 10.7270/Q22N5194
More data for this
Ligand-Target Pair
Retinoic acid receptor gamma


(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 0.700n/an/an/an/a



Allergan Inc.

Curated by ChEMBL


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


J Med Chem 38: 4764-7 (1996)


BindingDB Entry DOI: 10.7270/Q22N5194
More data for this
Ligand-Target Pair
Retinoic acid receptor beta


(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 1n/an/an/an/a



Allergan Inc.

Curated by ChEMBL


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


J Med Chem 38: 4764-7 (1996)


BindingDB Entry DOI: 10.7270/Q22N5194
More data for this
Ligand-Target Pair
Retinoic acid receptor beta


(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/a 12n/an/an/an/an/a



Allergan Inc.

Curated by ChEMBL


Assay Description
Binding constant for baculovirus-expressed Retinoic acid receptor RAR beta


J Med Chem 38: 4764-7 (1996)


BindingDB Entry DOI: 10.7270/Q22N5194
More data for this
Ligand-Target Pair
Retinoic acid receptor gamma


(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/a 19n/an/an/an/an/a



Allergan Inc.

Curated by ChEMBL


Assay Description
Binding constant for baculovirus-expressed Retinoic acid receptor RAR gamma


J Med Chem 38: 4764-7 (1996)


BindingDB Entry DOI: 10.7270/Q22N5194
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-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
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
Retinoic acid receptor RXR-beta


(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
Retinoic acid receptor RXR-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


(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 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 RXR-beta


(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 RXR-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
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 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 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
Retinoic acid receptor gamma


(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
Retinoic acid receptor RXR-gamma


(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 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


(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
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
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 RXR-gamma


(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
Retinoic acid receptor RXR-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 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
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
Retinoic acid receptor beta


(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)
Retinoic acid receptor gamma


(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 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
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 RXR-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
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
Retinoic acid receptor RXR-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)
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
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
Retinoic acid receptor RXR-beta


(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
Retinoic acid receptor RXR-gamma


(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
Retinoic acid receptor RXR-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
Retinoic acid receptor RXR-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 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)
Retinoic acid receptor RXR-beta


(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
Retinoic acid receptor RXR-gamma


(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
Retinoic acid receptor gamma


(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 RXR-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-beta


(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
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