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PubMed code 9435893

Compile data set for download or QSAR
Found 46 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
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
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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0.0400n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Agonistic activity of the compound towards retinoic acid receptor-gamma


J Med Chem 40: 4222-34 (1998)


Article DOI: 10.1021/jm9704309
BindingDB Entry DOI: 10.7270/Q21J98VC
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
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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1n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Agonistic activity of the compound towards retinoic acid receptor-gamma


J Med Chem 40: 4222-34 (1998)


Article DOI: 10.1021/jm9704309
BindingDB Entry DOI: 10.7270/Q21J98VC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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
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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3.30n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Agonistic activity of the compound towards retinoic acid receptor-alpha


J Med Chem 40: 4222-34 (1998)


Article DOI: 10.1021/jm9704309
BindingDB Entry DOI: 10.7270/Q21J98VC
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
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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3.80n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


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


J Med Chem 40: 4222-34 (1998)


Article DOI: 10.1021/jm9704309
BindingDB Entry DOI: 10.7270/Q21J98VC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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
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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4.10n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Agonistic activity of the compound towards retinoic acid receptor-beta


J Med Chem 40: 4222-34 (1998)


Article DOI: 10.1021/jm9704309
BindingDB Entry DOI: 10.7270/Q21J98VC
More data for this
Ligand-Target Pair
Retinoid receptor


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



University of Tokyo

Curated by ChEMBL


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


J Med Chem 40: 4222-34 (1998)


Article DOI: 10.1021/jm9704309
BindingDB Entry DOI: 10.7270/Q21J98VC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50061625
PNG
(4-[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthal...)
Show SMILES CC1(C)CCC(C)(C)c2cc(NC(=O)c3ccc(cc3)C(O)=O)ccc12
Show InChI InChI=1S/C22H25NO3/c1-21(2)11-12-22(3,4)18-13-16(9-10-17(18)21)23-19(24)14-5-7-15(8-6-14)20(25)26/h5-10,13H,11-12H2,1-4H3,(H,23,24)(H,25,26)
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6.5n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Agonistic activity of the compound towards retinoic acid receptor-alpha


J Med Chem 40: 4222-34 (1998)


Article DOI: 10.1021/jm9704309
BindingDB Entry DOI: 10.7270/Q21J98VC
More data for this
Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha


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



University of Tokyo

Curated by ChEMBL


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


J Med Chem 40: 4222-34 (1998)


Article DOI: 10.1021/jm9704309
BindingDB Entry DOI: 10.7270/Q21J98VC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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
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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11n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


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


J Med Chem 40: 4222-34 (1998)


Article DOI: 10.1021/jm9704309
BindingDB Entry DOI: 10.7270/Q21J98VC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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
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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12n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


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


J Med Chem 40: 4222-34 (1998)


Article DOI: 10.1021/jm9704309
BindingDB Entry DOI: 10.7270/Q21J98VC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoic acid receptor RXR-alpha


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



University of Tokyo

Curated by ChEMBL


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


J Med Chem 40: 4222-34 (1998)


Article DOI: 10.1021/jm9704309
BindingDB Entry DOI: 10.7270/Q21J98VC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoid receptor


(Homo sapiens (Human))
BDBM50061625
PNG
(4-[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthal...)
Show SMILES CC1(C)CCC(C)(C)c2cc(NC(=O)c3ccc(cc3)C(O)=O)ccc12
Show InChI InChI=1S/C22H25NO3/c1-21(2)11-12-22(3,4)18-13-16(9-10-17(18)21)23-19(24)14-5-7-15(8-6-14)20(25)26/h5-10,13H,11-12H2,1-4H3,(H,23,24)(H,25,26)
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30n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Agonistic activity of the compound towards retinoic acid receptor-beta


J Med Chem 40: 4222-34 (1998)


Article DOI: 10.1021/jm9704309
BindingDB Entry DOI: 10.7270/Q21J98VC
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50032675
PNG
(4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaph...)
Show SMILES Cc1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H28O2/c1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)22(25)26/h7-10,13-14H,2,11-12H2,1,3-6H3,(H,25,26)
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50n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Selective activity of the compound towards retinoic acid receptor-beta


J Med Chem 40: 4222-34 (1998)


Article DOI: 10.1021/jm9704309
BindingDB Entry DOI: 10.7270/Q21J98VC
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
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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54n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


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


J Med Chem 40: 4222-34 (1998)


Article DOI: 10.1021/jm9704309
BindingDB Entry DOI: 10.7270/Q21J98VC
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
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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120n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


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


J Med Chem 40: 4222-34 (1998)


Article DOI: 10.1021/jm9704309
BindingDB Entry DOI: 10.7270/Q21J98VC
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50032675
PNG
(4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaph...)
Show SMILES Cc1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H28O2/c1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)22(25)26/h7-10,13-14H,2,11-12H2,1,3-6H3,(H,25,26)
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130n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Selective activity of the compound towards retinoic acid receptor-gamma


J Med Chem 40: 4222-34 (1998)


Article DOI: 10.1021/jm9704309
BindingDB Entry DOI: 10.7270/Q21J98VC
More data for this
Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50032675
PNG
(4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaph...)
Show SMILES Cc1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H28O2/c1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)22(25)26/h7-10,13-14H,2,11-12H2,1,3-6H3,(H,25,26)
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180n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Selective activity of the compound towards retinoic acid receptor-alpha


J Med Chem 40: 4222-34 (1998)


Article DOI: 10.1021/jm9704309
BindingDB Entry DOI: 10.7270/Q21J98VC
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50061616
PNG
(4-(5,7,7,10,10-Pentamethyl-7,8,9,10-tetrahydro-5H-...)
Show SMILES CN1c2cc3c(cc2N=C(c2ccc(cc2)C(O)=O)c2ccccc12)C(C)(C)CCC3(C)C
Show InChI InChI=1S/C29H30N2O2/c1-28(2)14-15-29(3,4)22-17-25-23(16-21(22)28)30-26(18-10-12-19(13-11-18)27(32)33)20-8-6-7-9-24(20)31(25)5/h6-13,16-17H,14-15H2,1-5H3,(H,32,33)
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220n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Antagonistic activity of the compound towards retinoic acid receptor-beta


J Med Chem 40: 4222-34 (1998)


Article DOI: 10.1021/jm9704309
BindingDB Entry DOI: 10.7270/Q21J98VC
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50061617
PNG
(4-(7,7,10,10-Tetramethyl-7,8,9,10-tetrahydro-5-oxa...)
Show SMILES CC1(C)CCC(C)(C)c2cc3c(Oc4ccccc4N=C3c3ccc(cc3)C(O)=O)cc12
Show InChI InChI=1S/C28H27NO3/c1-27(2)13-14-28(3,4)21-16-24-19(15-20(21)27)25(17-9-11-18(12-10-17)26(30)31)29-22-7-5-6-8-23(22)32-24/h5-12,15-16H,13-14H2,1-4H3,(H,30,31)
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320n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Synergistic activity of the compound towards retinoic acid receptor-beta


J Med Chem 40: 4222-34 (1998)


Article DOI: 10.1021/jm9704309
BindingDB Entry DOI: 10.7270/Q21J98VC
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50061618
PNG
(4-(7,7,10,10-Tetramethyl-7,8,9,10-tetrahydro-5-thi...)
Show SMILES CC1(C)CCC(C)(C)c2cc3c(Sc4ccccc4N=C3c3ccc(cc3)C(O)=O)cc12
Show InChI InChI=1S/C28H27NO2S/c1-27(2)13-14-28(3,4)21-16-24-19(15-20(21)27)25(17-9-11-18(12-10-17)26(30)31)29-22-7-5-6-8-23(22)32-24/h5-12,15-16H,13-14H2,1-4H3,(H,30,31)
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320n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Synergistic activity of the compound towards retinoic acid receptor-beta


J Med Chem 40: 4222-34 (1998)


Article DOI: 10.1021/jm9704309
BindingDB Entry DOI: 10.7270/Q21J98VC
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
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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330n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Agonisticactivity of the compound towards retinoid X receptor-alpha


J Med Chem 40: 4222-34 (1998)


Article DOI: 10.1021/jm9704309
BindingDB Entry DOI: 10.7270/Q21J98VC
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50061618
PNG
(4-(7,7,10,10-Tetramethyl-7,8,9,10-tetrahydro-5-thi...)
Show SMILES CC1(C)CCC(C)(C)c2cc3c(Sc4ccccc4N=C3c3ccc(cc3)C(O)=O)cc12
Show InChI InChI=1S/C28H27NO2S/c1-27(2)13-14-28(3,4)21-16-24-19(15-20(21)27)25(17-9-11-18(12-10-17)26(30)31)29-22-7-5-6-8-23(22)32-24/h5-12,15-16H,13-14H2,1-4H3,(H,30,31)
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400n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


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


J Med Chem 40: 4222-34 (1998)


Article DOI: 10.1021/jm9704309
BindingDB Entry DOI: 10.7270/Q21J98VC
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50061615
PNG
(4-(10,10,13,13,15-Pentamethyl-11,12,13,15-tetrahyd...)
Show SMILES CN1c2cc3c(cc2N=C(c2ccc(cc2)C(O)=O)c2ccc4ccccc4c12)C(C)(C)CCC3(C)C
Show InChI InChI=1S/C33H32N2O2/c1-32(2)16-17-33(3,4)26-19-28-27(18-25(26)32)34-29(21-10-12-22(13-11-21)31(36)37)24-15-14-20-8-6-7-9-23(20)30(24)35(28)5/h6-15,18-19H,16-17H2,1-5H3,(H,36,37)
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490n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Antagonistic activity of the compound towards retinoic acid receptor-gamma


J Med Chem 40: 4222-34 (1998)


Article DOI: 10.1021/jm9704309
BindingDB Entry DOI: 10.7270/Q21J98VC
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50061615
PNG
(4-(10,10,13,13,15-Pentamethyl-11,12,13,15-tetrahyd...)
Show SMILES CN1c2cc3c(cc2N=C(c2ccc(cc2)C(O)=O)c2ccc4ccccc4c12)C(C)(C)CCC3(C)C
Show InChI InChI=1S/C33H32N2O2/c1-32(2)16-17-33(3,4)26-19-28-27(18-25(26)32)34-29(21-10-12-22(13-11-21)31(36)37)24-15-14-20-8-6-7-9-23(20)30(24)35(28)5/h6-15,18-19H,16-17H2,1-5H3,(H,36,37)
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500n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Antagonistic activity of the compound towards retinoic acid receptor-beta


J Med Chem 40: 4222-34 (1998)


Article DOI: 10.1021/jm9704309
BindingDB Entry DOI: 10.7270/Q21J98VC
More data for this
Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50061618
PNG
(4-(7,7,10,10-Tetramethyl-7,8,9,10-tetrahydro-5-thi...)
Show SMILES CC1(C)CCC(C)(C)c2cc3c(Sc4ccccc4N=C3c3ccc(cc3)C(O)=O)cc12
Show InChI InChI=1S/C28H27NO2S/c1-27(2)13-14-28(3,4)21-16-24-19(15-20(21)27)25(17-9-11-18(12-10-17)26(30)31)29-22-7-5-6-8-23(22)32-24/h5-12,15-16H,13-14H2,1-4H3,(H,30,31)
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620n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


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


J Med Chem 40: 4222-34 (1998)


Article DOI: 10.1021/jm9704309
BindingDB Entry DOI: 10.7270/Q21J98VC
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50061624
PNG
(4-(5,7,7,10,10-Pentamethyl-7,8,9,10-tetrahydro-5H-...)
Show SMILES CN1c2ccccc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C
Show InChI InChI=1S/C29H30N2O2/c1-28(2)14-15-29(3,4)22-17-25-20(16-21(22)28)26(18-10-12-19(13-11-18)27(32)33)30-23-8-6-7-9-24(23)31(25)5/h6-13,16-17H,14-15H2,1-5H3,(H,32,33)
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640n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


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


J Med Chem 40: 4222-34 (1998)


Article DOI: 10.1021/jm9704309
BindingDB Entry DOI: 10.7270/Q21J98VC
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50061624
PNG
(4-(5,7,7,10,10-Pentamethyl-7,8,9,10-tetrahydro-5H-...)
Show SMILES CN1c2ccccc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C
Show InChI InChI=1S/C29H30N2O2/c1-28(2)14-15-29(3,4)22-17-25-20(16-21(22)28)26(18-10-12-19(13-11-18)27(32)33)30-23-8-6-7-9-24(23)31(25)5/h6-13,16-17H,14-15H2,1-5H3,(H,32,33)
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680n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Synergistic activity of the compound towards retinoic acid receptor-beta


J Med Chem 40: 4222-34 (1998)


Article DOI: 10.1021/jm9704309
BindingDB Entry DOI: 10.7270/Q21J98VC
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50061619
PNG
(4-(7,7,10,10-Tetramethyl-7,8,9,10-tetrahydro-5H-13...)
Show SMILES CC1(C)CCC(C)(C)c2cc3c(Cc4ccccc4N=C3c3ccc(cc3)C(O)=O)cc12
Show InChI InChI=1S/C29H29NO2/c1-28(2)13-14-29(3,4)24-17-22-21(16-23(24)28)15-20-7-5-6-8-25(20)30-26(22)18-9-11-19(12-10-18)27(31)32/h5-12,16-17H,13-15H2,1-4H3,(H,31,32)
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790n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


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


J Med Chem 40: 4222-34 (1998)


Article DOI: 10.1021/jm9704309
BindingDB Entry DOI: 10.7270/Q21J98VC
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50061619
PNG
(4-(7,7,10,10-Tetramethyl-7,8,9,10-tetrahydro-5H-13...)
Show SMILES CC1(C)CCC(C)(C)c2cc3c(Cc4ccccc4N=C3c3ccc(cc3)C(O)=O)cc12
Show InChI InChI=1S/C29H29NO2/c1-28(2)13-14-29(3,4)24-17-22-21(16-23(24)28)15-20-7-5-6-8-25(20)30-26(22)18-9-11-19(12-10-18)27(31)32/h5-12,16-17H,13-15H2,1-4H3,(H,31,32)
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810n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Synergistic activity of the compound towards retinoic acid receptor-beta


J Med Chem 40: 4222-34 (1998)


Article DOI: 10.1021/jm9704309
BindingDB Entry DOI: 10.7270/Q21J98VC
More data for this
Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50061618
PNG
(4-(7,7,10,10-Tetramethyl-7,8,9,10-tetrahydro-5-thi...)
Show SMILES CC1(C)CCC(C)(C)c2cc3c(Sc4ccccc4N=C3c3ccc(cc3)C(O)=O)cc12
Show InChI InChI=1S/C28H27NO2S/c1-27(2)13-14-28(3,4)21-16-24-19(15-20(21)27)25(17-9-11-18(12-10-17)26(30)31)29-22-7-5-6-8-23(22)32-24/h5-12,15-16H,13-14H2,1-4H3,(H,30,31)
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900n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Synergistic activity of the compound towards retinoic acid receptor-alpha


J Med Chem 40: 4222-34 (1998)


Article DOI: 10.1021/jm9704309
BindingDB Entry DOI: 10.7270/Q21J98VC
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50061618
PNG
(4-(7,7,10,10-Tetramethyl-7,8,9,10-tetrahydro-5-thi...)
Show SMILES CC1(C)CCC(C)(C)c2cc3c(Sc4ccccc4N=C3c3ccc(cc3)C(O)=O)cc12
Show InChI InChI=1S/C28H27NO2S/c1-27(2)13-14-28(3,4)21-16-24-19(15-20(21)27)25(17-9-11-18(12-10-17)26(30)31)29-22-7-5-6-8-23(22)32-24/h5-12,15-16H,13-14H2,1-4H3,(H,30,31)
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900n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


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


J Med Chem 40: 4222-34 (1998)


Article DOI: 10.1021/jm9704309
BindingDB Entry DOI: 10.7270/Q21J98VC
More data for this
Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50061617
PNG
(4-(7,7,10,10-Tetramethyl-7,8,9,10-tetrahydro-5-oxa...)
Show SMILES CC1(C)CCC(C)(C)c2cc3c(Oc4ccccc4N=C3c3ccc(cc3)C(O)=O)cc12
Show InChI InChI=1S/C28H27NO3/c1-27(2)13-14-28(3,4)21-16-24-19(15-20(21)27)25(17-9-11-18(12-10-17)26(30)31)29-22-7-5-6-8-23(22)32-24/h5-12,15-16H,13-14H2,1-4H3,(H,30,31)
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980n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Synergistic activity of the compound towards retinoic acid receptor-alpha


J Med Chem 40: 4222-34 (1998)


Article DOI: 10.1021/jm9704309
BindingDB Entry DOI: 10.7270/Q21J98VC
More data for this
Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50061624
PNG
(4-(5,7,7,10,10-Pentamethyl-7,8,9,10-tetrahydro-5H-...)
Show SMILES CN1c2ccccc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C
Show InChI InChI=1S/C29H30N2O2/c1-28(2)14-15-29(3,4)22-17-25-20(16-21(22)28)26(18-10-12-19(13-11-18)27(32)33)30-23-8-6-7-9-24(23)31(25)5/h6-13,16-17H,14-15H2,1-5H3,(H,32,33)
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1.00E+3n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


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


J Med Chem 40: 4222-34 (1998)


Article DOI: 10.1021/jm9704309
BindingDB Entry DOI: 10.7270/Q21J98VC
More data for this
Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50061619
PNG
(4-(7,7,10,10-Tetramethyl-7,8,9,10-tetrahydro-5H-13...)
Show SMILES CC1(C)CCC(C)(C)c2cc3c(Cc4ccccc4N=C3c3ccc(cc3)C(O)=O)cc12
Show InChI InChI=1S/C29H29NO2/c1-28(2)13-14-29(3,4)24-17-22-21(16-23(24)28)15-20-7-5-6-8-25(20)30-26(22)18-9-11-19(12-10-18)27(31)32/h5-12,16-17H,13-15H2,1-4H3,(H,31,32)
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1.00E+3n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


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


J Med Chem 40: 4222-34 (1998)


Article DOI: 10.1021/jm9704309
BindingDB Entry DOI: 10.7270/Q21J98VC
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50061617
PNG
(4-(7,7,10,10-Tetramethyl-7,8,9,10-tetrahydro-5-oxa...)
Show SMILES CC1(C)CCC(C)(C)c2cc3c(Oc4ccccc4N=C3c3ccc(cc3)C(O)=O)cc12
Show InChI InChI=1S/C28H27NO3/c1-27(2)13-14-28(3,4)21-16-24-19(15-20(21)27)25(17-9-11-18(12-10-17)26(30)31)29-22-7-5-6-8-23(22)32-24/h5-12,15-16H,13-14H2,1-4H3,(H,30,31)
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1.20E+3n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


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


J Med Chem 40: 4222-34 (1998)


Article DOI: 10.1021/jm9704309
BindingDB Entry DOI: 10.7270/Q21J98VC
More data for this
Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50061615
PNG
(4-(10,10,13,13,15-Pentamethyl-11,12,13,15-tetrahyd...)
Show SMILES CN1c2cc3c(cc2N=C(c2ccc(cc2)C(O)=O)c2ccc4ccccc4c12)C(C)(C)CCC3(C)C
Show InChI InChI=1S/C33H32N2O2/c1-32(2)16-17-33(3,4)26-19-28-27(18-25(26)32)34-29(21-10-12-22(13-11-21)31(36)37)24-15-14-20-8-6-7-9-23(20)30(24)35(28)5/h6-15,18-19H,16-17H2,1-5H3,(H,36,37)
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1.30E+3n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Antagonistic activity of the compound towards retinoic acid receptor-alpha


J Med Chem 40: 4222-34 (1998)


Article DOI: 10.1021/jm9704309
BindingDB Entry DOI: 10.7270/Q21J98VC
More data for this
Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50061616
PNG
(4-(5,7,7,10,10-Pentamethyl-7,8,9,10-tetrahydro-5H-...)
Show SMILES CN1c2cc3c(cc2N=C(c2ccc(cc2)C(O)=O)c2ccccc12)C(C)(C)CCC3(C)C
Show InChI InChI=1S/C29H30N2O2/c1-28(2)14-15-29(3,4)22-17-25-23(16-21(22)28)30-26(18-10-12-19(13-11-18)27(32)33)20-8-6-7-9-24(20)31(25)5/h6-13,16-17H,14-15H2,1-5H3,(H,32,33)
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1.40E+3n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Antagonistic activity of the compound towards retinoic acid receptor-alpha


J Med Chem 40: 4222-34 (1998)


Article DOI: 10.1021/jm9704309
BindingDB Entry DOI: 10.7270/Q21J98VC
More data for this
Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50061615
PNG
(4-(10,10,13,13,15-Pentamethyl-11,12,13,15-tetrahyd...)
Show SMILES CN1c2cc3c(cc2N=C(c2ccc(cc2)C(O)=O)c2ccc4ccccc4c12)C(C)(C)CCC3(C)C
Show InChI InChI=1S/C33H32N2O2/c1-32(2)16-17-33(3,4)26-19-28-27(18-25(26)32)34-29(21-10-12-22(13-11-21)31(36)37)24-15-14-20-8-6-7-9-23(20)30(24)35(28)5/h6-15,18-19H,16-17H2,1-5H3,(H,36,37)
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1.50E+3n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


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


J Med Chem 40: 4222-34 (1998)


Article DOI: 10.1021/jm9704309
BindingDB Entry DOI: 10.7270/Q21J98VC
More data for this
Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50061619
PNG
(4-(7,7,10,10-Tetramethyl-7,8,9,10-tetrahydro-5H-13...)
Show SMILES CC1(C)CCC(C)(C)c2cc3c(Cc4ccccc4N=C3c3ccc(cc3)C(O)=O)cc12
Show InChI InChI=1S/C29H29NO2/c1-28(2)13-14-29(3,4)24-17-22-21(16-23(24)28)15-20-7-5-6-8-25(20)30-26(22)18-9-11-19(12-10-18)27(31)32/h5-12,16-17H,13-15H2,1-4H3,(H,31,32)
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1.60E+3n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Synergistic activity of the compound towards retinoic acid receptor-alpha


J Med Chem 40: 4222-34 (1998)


Article DOI: 10.1021/jm9704309
BindingDB Entry DOI: 10.7270/Q21J98VC
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50061615
PNG
(4-(10,10,13,13,15-Pentamethyl-11,12,13,15-tetrahyd...)
Show SMILES CN1c2cc3c(cc2N=C(c2ccc(cc2)C(O)=O)c2ccc4ccccc4c12)C(C)(C)CCC3(C)C
Show InChI InChI=1S/C33H32N2O2/c1-32(2)16-17-33(3,4)26-19-28-27(18-25(26)32)34-29(21-10-12-22(13-11-21)31(36)37)24-15-14-20-8-6-7-9-23(20)30(24)35(28)5/h6-15,18-19H,16-17H2,1-5H3,(H,36,37)
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1.70E+3n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


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


J Med Chem 40: 4222-34 (1998)


Article DOI: 10.1021/jm9704309
BindingDB Entry DOI: 10.7270/Q21J98VC
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50061619
PNG
(4-(7,7,10,10-Tetramethyl-7,8,9,10-tetrahydro-5H-13...)
Show SMILES CC1(C)CCC(C)(C)c2cc3c(Cc4ccccc4N=C3c3ccc(cc3)C(O)=O)cc12
Show InChI InChI=1S/C29H29NO2/c1-28(2)13-14-29(3,4)24-17-22-21(16-23(24)28)15-20-7-5-6-8-25(20)30-26(22)18-9-11-19(12-10-18)27(31)32/h5-12,16-17H,13-15H2,1-4H3,(H,31,32)
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1.80E+3n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


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


J Med Chem 40: 4222-34 (1998)


Article DOI: 10.1021/jm9704309
BindingDB Entry DOI: 10.7270/Q21J98VC
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50061624
PNG
(4-(5,7,7,10,10-Pentamethyl-7,8,9,10-tetrahydro-5H-...)
Show SMILES CN1c2ccccc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C
Show InChI InChI=1S/C29H30N2O2/c1-28(2)14-15-29(3,4)22-17-25-20(16-21(22)28)26(18-10-12-19(13-11-18)27(32)33)30-23-8-6-7-9-24(23)31(25)5/h6-13,16-17H,14-15H2,1-5H3,(H,32,33)
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1.90E+3n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


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


J Med Chem 40: 4222-34 (1998)


Article DOI: 10.1021/jm9704309
BindingDB Entry DOI: 10.7270/Q21J98VC
More data for this
Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50061621
PNG
(4-(5,7,7,10,10-Pentamethyl-7,8,9,10-tetrahydro-5H-...)
Show SMILES CC1c2ccccc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C
Show InChI InChI=1/C30H31NO2/c1-18-21-8-6-7-9-26(21)31-27(19-10-12-20(13-11-19)28(32)33)23-17-25-24(16-22(18)23)29(2,3)14-15-30(25,4)5/h6-13,16-18H,14-15H2,1-5H3,(H,32,33)
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2.00E+3n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Synergistic activity of the compound towards retinoic acid receptor-alpha


J Med Chem 40: 4222-34 (1998)


Article DOI: 10.1021/jm9704309
BindingDB Entry DOI: 10.7270/Q21J98VC
More data for this
Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50061617
PNG
(4-(7,7,10,10-Tetramethyl-7,8,9,10-tetrahydro-5-oxa...)
Show SMILES CC1(C)CCC(C)(C)c2cc3c(Oc4ccccc4N=C3c3ccc(cc3)C(O)=O)cc12
Show InChI InChI=1S/C28H27NO3/c1-27(2)13-14-28(3,4)21-16-24-19(15-20(21)27)25(17-9-11-18(12-10-17)26(30)31)29-22-7-5-6-8-23(22)32-24/h5-12,15-16H,13-14H2,1-4H3,(H,30,31)
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2.10E+3n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


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


J Med Chem 40: 4222-34 (1998)


Article DOI: 10.1021/jm9704309
BindingDB Entry DOI: 10.7270/Q21J98VC
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50061617
PNG
(4-(7,7,10,10-Tetramethyl-7,8,9,10-tetrahydro-5-oxa...)
Show SMILES CC1(C)CCC(C)(C)c2cc3c(Oc4ccccc4N=C3c3ccc(cc3)C(O)=O)cc12
Show InChI InChI=1S/C28H27NO3/c1-27(2)13-14-28(3,4)21-16-24-19(15-20(21)27)25(17-9-11-18(12-10-17)26(30)31)29-22-7-5-6-8-23(22)32-24/h5-12,15-16H,13-14H2,1-4H3,(H,30,31)
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3.80E+3n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


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


J Med Chem 40: 4222-34 (1998)


Article DOI: 10.1021/jm9704309
BindingDB Entry DOI: 10.7270/Q21J98VC
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50061615
PNG
(4-(10,10,13,13,15-Pentamethyl-11,12,13,15-tetrahyd...)
Show SMILES CN1c2cc3c(cc2N=C(c2ccc(cc2)C(O)=O)c2ccc4ccccc4c12)C(C)(C)CCC3(C)C
Show InChI InChI=1S/C33H32N2O2/c1-32(2)16-17-33(3,4)26-19-28-27(18-25(26)32)34-29(21-10-12-22(13-11-21)31(36)37)24-15-14-20-8-6-7-9-23(20)30(24)35(28)5/h6-15,18-19H,16-17H2,1-5H3,(H,36,37)
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3.80E+3n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


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


J Med Chem 40: 4222-34 (1998)


Article DOI: 10.1021/jm9704309
BindingDB Entry DOI: 10.7270/Q21J98VC
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%