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Compile Data Set for Download or QSAR

Found 36 hits of ic50 for UniProtKB: P10826   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
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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n/an/a 0.900n/an/an/an/an/an/a



Eisai Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]-ATRA-Hl60 binding to Retinoic acid receptor beta


Bioorg Med Chem Lett 10: 619-22 (2000)


Article DOI: 10.1016/s0960-894x(00)00066-4
BindingDB Entry DOI: 10.7270/Q23T9GFV
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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n/an/a 0.940n/an/an/an/an/an/a



Eisai Co., Ltd

Curated by ChEMBL


Assay Description
Binding affinity for Retinoic acid receptor beta


Bioorg Med Chem Lett 10: 623-5 (2000)


Article DOI: 10.1016/s0960-894x(00)00067-6
BindingDB Entry DOI: 10.7270/Q2028QSB
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha/Retinoic acid receptor beta


(Homo sapiens (Human))
BDBM50075879
PNG
(4-(2,2-Dimethyl-4-p-tolyl-2H-1-thia-anthracen-6-yl...)
Show SMILES Cc1ccc(cc1)C1=CC(C)(C)Sc2cc3ccc(cc3cc12)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C29H24O2S/c1-18-4-6-20(7-5-18)26-17-29(2,3)32-27-16-23-13-12-22(14-24(23)15-25(26)27)19-8-10-21(11-9-19)28(30)31/h4-17H,1-3H3,(H,30,31)
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n/an/a 2n/an/an/an/an/an/a



Allergan Inc

Curated by ChEMBL


Assay Description
Antagonistic activity against RAR beta in transcriptional activation assay with 10 nM TTNPB


Bioorg Med Chem Lett 9: 743-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00077-3
BindingDB Entry DOI: 10.7270/Q26Q1WFP
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50084834
PNG
(4-[5-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-quino...)
Show SMILES CC1(C)CCC(C)(C)c2nc(cnc12)-c1cc(co1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C23H24N2O3/c1-22(2)9-10-23(3,4)20-19(22)24-12-17(25-20)18-11-16(13-28-18)14-5-7-15(8-6-14)21(26)27/h5-8,11-13H,9-10H2,1-4H3,(H,26,27)
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n/an/a 2.5n/an/an/an/an/an/a



Eisai Co., Ltd

Curated by ChEMBL


Assay Description
Binding affinity for Retinoic Acid Receptor beta (RAR beta)


J Med Chem 43: 409-19 (2000)


Article DOI: 10.1021/jm990063w
BindingDB Entry DOI: 10.7270/Q28S4P4M
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50084832
PNG
(4-[5-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-quino...)
Show SMILES CC1(C)CCC(C)(C)c2nc(cnc12)-c1cc(cs1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C23H24N2O2S/c1-22(2)9-10-23(3,4)20-19(22)24-12-17(25-20)18-11-16(13-28-18)14-5-7-15(8-6-14)21(26)27/h5-8,11-13H,9-10H2,1-4H3,(H,26,27)
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n/an/a 4.5n/an/an/an/an/an/a



Eisai Co., Ltd

Curated by ChEMBL


Assay Description
Binding affinity for Retinoic Acid Receptor beta (RAR beta)


J Med Chem 43: 409-19 (2000)


Article DOI: 10.1021/jm990063w
BindingDB Entry DOI: 10.7270/Q28S4P4M
More data for this
Ligand-Target Pair
Retinoid receptor


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



Ligand Pharmaceuticals Inc

Curated by ChEMBL


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


J Med Chem 37: 408-14 (1994)


Article DOI: 10.1021/jm00029a013
BindingDB Entry DOI: 10.7270/Q20V8BT5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoid receptor


(Homo sapiens (Human))
BDBM50075876
PNG
(4-[2,2-Dimethyl-4-(5-methyl-thiophen-2-yl)-2H-benz...)
Show SMILES Cc1ccc(s1)C1=CC(C)(C)Oc2cc3ccc(cc3cc12)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C27H22O3S/c1-16-4-11-25(31-16)23-15-27(2,3)30-24-14-20-10-9-19(12-21(20)13-22(23)24)17-5-7-18(8-6-17)26(28)29/h4-15H,1-3H3,(H,28,29)
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n/an/a 6.5n/an/an/an/an/an/a



Allergan Inc

Curated by ChEMBL


Assay Description
Antagonistic activity against RAR beta in transcriptional activation assay with 10 nM TTNPB


Bioorg Med Chem Lett 9: 743-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00077-3
BindingDB Entry DOI: 10.7270/Q26Q1WFP
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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n/an/a 7n/an/an/an/an/an/a



Ligand Pharmaceuticals Inc

Curated by ChEMBL


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


J Med Chem 37: 408-14 (1994)


Article DOI: 10.1021/jm00029a013
BindingDB Entry DOI: 10.7270/Q20V8BT5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoid receptor


(Homo sapiens (Human))
BDBM50075878
PNG
(4-(2,2-Dimethyl-4-p-tolyl-2H-benzo[g]chromen-7-yl)...)
Show SMILES Cc1ccc(cc1)C1=CC(C)(C)Oc2cc3ccc(cc3cc12)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C29H24O3/c1-18-4-6-20(7-5-18)26-17-29(2,3)32-27-16-23-13-12-22(14-24(23)15-25(26)27)19-8-10-21(11-9-19)28(30)31/h4-17H,1-3H3,(H,30,31)
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n/an/a 7.5n/an/an/an/an/an/a



Allergan Inc

Curated by ChEMBL


Assay Description
Antagonistic activity against RAR beta in transcriptional activation assay with 10 nM TTNPB


Bioorg Med Chem Lett 9: 743-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00077-3
BindingDB Entry DOI: 10.7270/Q26Q1WFP
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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n/an/a 13n/an/an/an/an/an/a



Ligand Pharmaceuticals Inc

Curated by ChEMBL


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


J Med Chem 37: 408-14 (1994)


Article DOI: 10.1021/jm00029a013
BindingDB Entry DOI: 10.7270/Q20V8BT5
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha/Retinoic acid receptor beta


(Homo sapiens (Human))
BDBM50075877
PNG
(4-[5,5-Dimethyl-8-(5-methyl-thiophen-2-yl)-5,6-dih...)
Show SMILES Cc1ccc(s1)C1=CCC(C)(C)c2cc3ccc(cc3cc12)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C28H24O2S/c1-17-4-11-26(31-17)23-12-13-28(2,3)25-16-21-10-9-20(14-22(21)15-24(23)25)18-5-7-19(8-6-18)27(29)30/h4-12,14-16H,13H2,1-3H3,(H,29,30)
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n/an/a 15n/an/an/an/an/an/a



Allergan Inc

Curated by ChEMBL


Assay Description
Antagonistic activity against RAR gamma in transcriptional activation assay with 3.2 nM TTNPB


Bioorg Med Chem Lett 9: 743-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00077-3
BindingDB Entry DOI: 10.7270/Q26Q1WFP
More data for this
Ligand-Target Pair
Retinoid receptor


(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
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/a 20n/an/an/an/an/an/a



Allergan Inc

Curated by ChEMBL


Assay Description
Antagonist activity of TTNPB (10 nM) function at retinoic acid receptor beta


Bioorg Med Chem Lett 11: 765-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00058-0
BindingDB Entry DOI: 10.7270/Q2348JN3
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50084830
PNG
(4-[4-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-quino...)
Show SMILES CC1(C)CCC(C)(C)c2nc(cnc12)-c1csc(n1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C22H23N3O2S/c1-21(2)9-10-22(3,4)18-17(21)23-11-15(24-18)16-12-28-19(25-16)13-5-7-14(8-6-13)20(26)27/h5-8,11-12H,9-10H2,1-4H3,(H,26,27)
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n/an/a 21n/an/an/an/an/an/a



Eisai Co., Ltd

Curated by ChEMBL


Assay Description
Binding affinity for Retinoic Acid Receptor beta (RAR beta)


J Med Chem 43: 409-19 (2000)


Article DOI: 10.1021/jm990063w
BindingDB Entry DOI: 10.7270/Q28S4P4M
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha/Retinoic acid receptor beta


(Homo sapiens (Human))
BDBM50097823
PNG
(4-[(E)-4-(6,6-Dimethyl-2-p-tolyl-cyclohex-1-enyl)-...)
Show SMILES Cc1ccc(cc1)C1=C(\C=C\C#Cc2ccc(cc2)C(O)=O)C(C)(C)CCC1
Show InChI InChI=1S/C26H26O2/c1-19-10-14-21(15-11-19)23-8-6-18-26(2,3)24(23)9-5-4-7-20-12-16-22(17-13-20)25(27)28/h5,9-17H,6,8,18H2,1-3H3,(H,27,28)/b9-5+
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n/an/a 22n/an/an/an/an/an/a



Allergan Inc

Curated by ChEMBL


Assay Description
Binding affinity towards retinoic acid receptor beta was determined using [3H]-ATRA (5 nM) as radioligand


Bioorg Med Chem Lett 11: 765-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00058-0
BindingDB Entry DOI: 10.7270/Q2348JN3
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha/Retinoic acid receptor beta


(Homo sapiens (Human))
BDBM50075880
PNG
(4-(5,5-Dimethyl-8-p-tolyl-5,6-dihydro-anthracen-2-...)
Show SMILES Cc1ccc(cc1)C1=CCC(C)(C)c2cc3ccc(cc3cc12)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C30H26O2/c1-19-4-6-21(7-5-19)26-14-15-30(2,3)28-18-24-13-12-23(16-25(24)17-27(26)28)20-8-10-22(11-9-20)29(31)32/h4-14,16-18H,15H2,1-3H3,(H,31,32)
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n/an/a 22n/an/an/an/an/an/a



Allergan Inc

Curated by ChEMBL


Assay Description
Antagonistic activity against RAR beta in transcriptional activation assay with 10 nM TTNPB


Bioorg Med Chem Lett 9: 743-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00077-3
BindingDB Entry DOI: 10.7270/Q26Q1WFP
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha/Retinoic acid receptor beta


(Homo sapiens (Human))
BDBM50097822
PNG
(4-{(E)-4-[2-(4-tert-Butyl-phenyl)-6,6-dimethyl-cyc...)
Show SMILES CC(C)(C)c1ccc(cc1)C1=C(\C=C\C#Cc2ccc(cc2)C(O)=O)C(C)(C)CCC1
Show InChI InChI=1S/C29H32O2/c1-28(2,3)24-18-16-22(17-19-24)25-10-8-20-29(4,5)26(25)11-7-6-9-21-12-14-23(15-13-21)27(30)31/h7,11-19H,8,10,20H2,1-5H3,(H,30,31)/b11-7+
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n/an/a 25n/an/an/an/an/an/a



Allergan Inc

Curated by ChEMBL


Assay Description
Antagonist activity of TTNPB (10 nM) function at retinoic acid receptor gamma


Bioorg Med Chem Lett 11: 765-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00058-0
BindingDB Entry DOI: 10.7270/Q2348JN3
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50084829
PNG
(4-[5-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-quino...)
Show SMILES CC1(C)CCC(C)(C)c2nc(cnc12)-c1ccc(s1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C23H24N2O2S/c1-22(2)11-12-23(3,4)20-19(22)24-13-16(25-20)18-10-9-17(28-18)14-5-7-15(8-6-14)21(26)27/h5-10,13H,11-12H2,1-4H3,(H,26,27)
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n/an/a 36n/an/an/an/an/an/a



Eisai Co., Ltd

Curated by ChEMBL


Assay Description
Binding affinity for Retinoic Acid Receptor beta (RAR beta)


J Med Chem 43: 409-19 (2000)


Article DOI: 10.1021/jm990063w
BindingDB Entry DOI: 10.7270/Q28S4P4M
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50084831
PNG
(4-[5-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-quino...)
Show SMILES CC1(C)CCC(C)(C)c2nc(cnc12)-c1ccc(o1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C23H24N2O3/c1-22(2)11-12-23(3,4)20-19(22)24-13-16(25-20)18-10-9-17(28-18)14-5-7-15(8-6-14)21(26)27/h5-10,13H,11-12H2,1-4H3,(H,26,27)
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n/an/a 39n/an/an/an/an/an/a



Eisai Co., Ltd

Curated by ChEMBL


Assay Description
Binding affinity for Retinoic Acid Receptor beta (RAR beta)


J Med Chem 43: 409-19 (2000)


Article DOI: 10.1021/jm990063w
BindingDB Entry DOI: 10.7270/Q28S4P4M
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50097821
PNG
(4-{(E)-4-[2-(4-Ethyl-phenyl)-6,6-dimethyl-cyclohex...)
Show SMILES CCc1ccc(cc1)C1=C(\C=C\C#Cc2ccc(cc2)C(O)=O)C(C)(C)CCC1
Show InChI InChI=1S/C27H28O2/c1-4-20-11-15-22(16-12-20)24-9-7-19-27(2,3)25(24)10-6-5-8-21-13-17-23(18-14-21)26(28)29/h6,10-18H,4,7,9,19H2,1-3H3,(H,28,29)/b10-6+
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n/an/a 40n/an/an/an/an/an/a



Allergan Inc

Curated by ChEMBL


Assay Description
Antagonist activity of TTNPB (10 nM) function at retinoic acid receptor beta


Bioorg Med Chem Lett 11: 765-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00058-0
BindingDB Entry DOI: 10.7270/Q2348JN3
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50296049
PNG
((2E,4E)-2,4-dimethyl-5-(6,6,9,9-tetramethyl-4-oxo-...)
Show SMILES C\C(\C=C(/C)C(O)=O)=C/c1coc2cc3c(cc2c1=O)C(C)(C)CCC3(C)C
Show InChI InChI=1S/C24H28O4/c1-14(9-15(2)22(26)27)10-16-13-28-20-12-19-18(11-17(20)21(16)25)23(3,4)7-8-24(19,5)6/h9-13H,7-8H2,1-6H3,(H,26,27)/b14-10+,15-9+
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n/an/a 40n/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Displacement of radioligand from RARbeta receptor


Bioorg Med Chem Lett 19: 4339-42 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.081
BindingDB Entry DOI: 10.7270/Q2N58MD3
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50097820
PNG
(4-[(E)-4-(3,3-Dimethyl-6-p-tolyl-cyclohexa-1,5-die...)
Show SMILES Cc1ccc(cc1)C1=CCC(C)(C)C=C1\C=C\C#Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C26H24O2/c1-19-8-12-21(13-9-19)24-16-17-26(2,3)18-23(24)7-5-4-6-20-10-14-22(15-11-20)25(27)28/h5,7-16,18H,17H2,1-3H3,(H,27,28)/b7-5+
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n/an/a 53n/an/an/an/an/an/a



Allergan Inc

Curated by ChEMBL


Assay Description
Antagonist activity of TTNPB (10 nM) function at retinoic acid receptor beta


Bioorg Med Chem Lett 11: 765-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00058-0
BindingDB Entry DOI: 10.7270/Q2348JN3
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50044099
PNG
(4-[(E)-2-(3-Ethyl-5,5,8,8-tetramethyl-5,6,7,8-tetr...)
Show SMILES CCc1cc2c(cc1\C(C)=C\c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C26H32O2/c1-7-19-15-22-23(26(5,6)13-12-25(22,3)4)16-21(19)17(2)14-18-8-10-20(11-9-18)24(27)28/h8-11,14-16H,7,12-13H2,1-6H3,(H,27,28)/b17-14+
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n/an/a 75n/an/an/an/an/an/a



Ligand Pharmaceuticals Inc

Curated by ChEMBL


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


J Med Chem 37: 408-14 (1994)


Article DOI: 10.1021/jm00029a013
BindingDB Entry DOI: 10.7270/Q20V8BT5
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50084833
PNG
(4-[5-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-napht...)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)-c1ccc([nH]1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C25H27NO2/c1-24(2)13-14-25(3,4)20-15-18(9-10-19(20)24)22-12-11-21(26-22)16-5-7-17(8-6-16)23(27)28/h5-12,15,26H,13-14H2,1-4H3,(H,27,28)
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n/an/a 100n/an/an/an/an/an/a



Eisai Co., Ltd

Curated by ChEMBL


Assay Description
Binding affinity for Retinoic Acid Receptor beta (RAR beta)


J Med Chem 43: 409-19 (2000)


Article DOI: 10.1021/jm990063w
BindingDB Entry DOI: 10.7270/Q28S4P4M
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50084836
PNG
(4-[(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-quinoxa...)
Show SMILES CC1(C)CCC(C)(C)c2nc(cnc12)C(=O)Nc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C20H23N3O3/c1-19(2)9-10-20(3,4)16-15(19)21-11-14(23-16)17(24)22-13-7-5-12(6-8-13)18(25)26/h5-8,11H,9-10H2,1-4H3,(H,22,24)(H,25,26)
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n/an/a 140n/an/an/an/an/an/a



Eisai Co., Ltd

Curated by ChEMBL


Assay Description
Binding affinity for Retinoic Acid Receptor beta (RAR beta)


J Med Chem 43: 409-19 (2000)


Article DOI: 10.1021/jm990063w
BindingDB Entry DOI: 10.7270/Q28S4P4M
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50044098
PNG
(4-[(E)-2-(3-Isopropyl-5,5,8,8-tetramethyl-5,6,7,8-...)
Show SMILES CC(C)c1cc2c(cc1\C(C)=C\c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C27H34O2/c1-17(2)21-15-23-24(27(6,7)13-12-26(23,4)5)16-22(21)18(3)14-19-8-10-20(11-9-19)25(28)29/h8-11,14-17H,12-13H2,1-7H3,(H,28,29)/b18-14+
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n/an/a 150n/an/an/an/an/an/a



Ligand Pharmaceuticals Inc

Curated by ChEMBL


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


J Med Chem 37: 408-14 (1994)


Article DOI: 10.1021/jm00029a013
BindingDB Entry DOI: 10.7270/Q20V8BT5
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50084835
PNG
(4-[5-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-quino...)
Show SMILES CC1(C)CCC(C)(C)c2nc(cnc12)-c1ccc([nH]1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C23H25N3O2/c1-22(2)11-12-23(3,4)20-19(22)24-13-18(26-20)17-10-9-16(25-17)14-5-7-15(8-6-14)21(27)28/h5-10,13,25H,11-12H2,1-4H3,(H,27,28)
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n/an/a 230n/an/an/an/an/an/a



Eisai Co., Ltd

Curated by ChEMBL


Assay Description
Binding affinity for Retinoic Acid Receptor beta (RAR beta)


J Med Chem 43: 409-19 (2000)


Article DOI: 10.1021/jm990063w
BindingDB Entry DOI: 10.7270/Q28S4P4M
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50084828
PNG
(4-[5-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-quino...)
Show SMILES CC1(C)CCC(C)(C)c2nc(cnc12)-c1cc([nH]n1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C22H24N4O2/c1-21(2)9-10-22(3,4)19-18(21)23-12-17(24-19)16-11-15(25-26-16)13-5-7-14(8-6-13)20(27)28/h5-8,11-12H,9-10H2,1-4H3,(H,25,26)(H,27,28)
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n/an/a 290n/an/an/an/an/an/a



Eisai Co., Ltd

Curated by ChEMBL


Assay Description
Binding affinity for Retinoic Acid Receptor beta (RAR beta)


J Med Chem 43: 409-19 (2000)


Article DOI: 10.1021/jm990063w
BindingDB Entry DOI: 10.7270/Q28S4P4M
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50032221
PNG
(4-[(E)-2-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro...)
Show SMILES C\C(=C/c1ccc(cc1)C(O)=O)c1cc2c(cc1C)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C25H30O2/c1-16(13-18-7-9-19(10-8-18)23(26)27)20-15-22-21(14-17(20)2)24(3,4)11-12-25(22,5)6/h7-10,13-15H,11-12H2,1-6H3,(H,26,27)/b16-13+
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n/an/a 1.17E+3n/an/an/an/an/an/a



Ligand Pharmaceuticals Inc

Curated by ChEMBL


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


J Med Chem 37: 408-14 (1994)


Article DOI: 10.1021/jm00029a013
BindingDB Entry DOI: 10.7270/Q20V8BT5
More data for this
Ligand-Target Pair
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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n/an/a 3.00E+3n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Displacement of [11,12-3H]ARTA from RARbeta


J Med Chem 47: 6716-29 (2004)


Article DOI: 10.1021/jm0401457
BindingDB Entry DOI: 10.7270/Q2K64HJV
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50099474
PNG
(4-[5-(8-Isopropyl-4-phenyl-quinolin-2-yl)-1H-pyrro...)
Show SMILES CC(C)c1cccc2c(cc(nc12)-c1ccc([nH]1)-c1ccc(cc1)C(O)=O)-c1ccccc1
Show InChI InChI=1S/C29H24N2O2/c1-18(2)22-9-6-10-23-24(19-7-4-3-5-8-19)17-27(31-28(22)23)26-16-15-25(30-26)20-11-13-21(14-12-20)29(32)33/h3-18,30H,1-2H3,(H,32,33)
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n/an/a>3.00E+3n/an/an/an/an/an/a



Eisai Co., Ltd

Curated by ChEMBL


Assay Description
Antagonistic activity of the compound was evaluated in terms of inhibition of Retinoic acid receptor beta transactivation by ATRA (50 nM); Not detect...


Bioorg Med Chem Lett 11: 1215-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00177-9
BindingDB Entry DOI: 10.7270/Q26M3643
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50158413
PNG
(CHEMBL388283 | N-(1H-1,2,4-triazol-1-yl)-(E)-retin...)
Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=CC(C)=CC(=O)n1cncn1
Show InChI InChI=1S/C22H29N3O/c1-17(11-12-20-19(3)10-7-13-22(20,4)5)8-6-9-18(2)14-21(26)25-16-23-15-24-25/h6,8-9,11-12,14-16H,7,10,13H2,1-5H3/b9-6?,12-11+,17-8+,18-14?
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n/an/a 9.00E+4n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Displacement of [11,12-3H]ARTA from RARbeta


J Med Chem 47: 6716-29 (2004)


Article DOI: 10.1021/jm0401457
BindingDB Entry DOI: 10.7270/Q2K64HJV
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50091698
PNG
((2E,4E,6E,8E)-9-(3-Imidazol-1-yl-2,6,6-trimethyl-c...)
Show SMILES C\C(\C=C\C1=C(C)C(CCC1(C)C)n1ccnc1)=C/C=C/C(/C)=C/C(O)=O
Show InChI InChI=1S/C23H30N2O2/c1-17(7-6-8-18(2)15-22(26)27)9-10-20-19(3)21(11-12-23(20,4)5)25-14-13-24-16-25/h6-10,13-16,21H,11-12H2,1-5H3,(H,26,27)/b8-6+,10-9+,17-7+,18-15+
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n/an/a 1.75E+5n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Displacement of [11,12-3H]ARTA from RARbeta


J Med Chem 47: 6716-29 (2004)


Article DOI: 10.1021/jm0401457
BindingDB Entry DOI: 10.7270/Q2K64HJV
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50158416
PNG
(4-((+/-)-(1H-imidazol-1-yl)-(13Z)-retinoic acid | ...)
Show SMILES C\C(\C=C\C1=C(C)C(CCC1(C)C)n1ccnc1)=C/C=C/C(/C)=C\C(O)=O
Show InChI InChI=1S/C23H30N2O2/c1-17(7-6-8-18(2)15-22(26)27)9-10-20-19(3)21(11-12-23(20,4)5)25-14-13-24-16-25/h6-10,13-16,21H,11-12H2,1-5H3,(H,26,27)/b8-6+,10-9+,17-7+,18-15-
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n/an/a 1.75E+5n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Displacement of [11,12-3H]ARTA from RARbeta


J Med Chem 47: 6716-29 (2004)


Article DOI: 10.1021/jm0401457
BindingDB Entry DOI: 10.7270/Q2K64HJV
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50091699
PNG
((2E,4E,6E,8E)-3,7-Dimethyl-9-(2,6,6-trimethyl-3-[1...)
Show SMILES C\C(\C=C\C1=C(C)C(CCC1(C)C)n1cnnc1)=C/C=C/C(/C)=C/C(O)=O
Show InChI InChI=1S/C22H29N3O2/c1-16(7-6-8-17(2)13-21(26)27)9-10-19-18(3)20(11-12-22(19,4)5)25-14-23-24-15-25/h6-10,13-15,20H,11-12H2,1-5H3,(H,26,27)/b8-6+,10-9+,16-7+,17-13+
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n/an/a 2.50E+5n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Displacement of [11,12-3H]ARTA from RARbeta


J Med Chem 47: 6716-29 (2004)


Article DOI: 10.1021/jm0401457
BindingDB Entry DOI: 10.7270/Q2K64HJV
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50158412
PNG
(CHEMBL388064 | N-(1H-imidazole-1-yl)-(E)-retinamid...)
Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(=O)n1ccnc1
Show InChI InChI=1S/C23H30N2O/c1-18(11-12-21-20(3)10-7-13-23(21,4)5)8-6-9-19(2)16-22(26)25-15-14-24-17-25/h6,8-9,11-12,14-17H,7,10,13H2,1-5H3/b9-6+,12-11+,18-8+,19-16+
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n/an/a 5.00E+5n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Displacement of [11,12-3H]ARTA from RARbeta


J Med Chem 47: 6716-29 (2004)


Article DOI: 10.1021/jm0401457
BindingDB Entry DOI: 10.7270/Q2K64HJV
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50091700
PNG
((2E,4E,6E,8E)-3,7-Dimethyl-9-(2,6,6-trimethyl-3-[1...)
Show SMILES C\C(\C=C\C1=C(C)C(CCC1(C)C)n1cncn1)=C/C=C/C(/C)=C/C(O)=O
Show InChI InChI=1S/C22H29N3O2/c1-16(7-6-8-17(2)13-21(26)27)9-10-19-18(3)20(11-12-22(19,4)5)25-15-23-14-24-25/h6-10,13-15,20H,11-12H2,1-5H3,(H,26,27)/b8-6+,10-9+,16-7+,17-13+
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n/an/a 1.00E+6n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Displacement of [11,12-3H]ARTA from RARbeta


J Med Chem 47: 6716-29 (2004)


Article DOI: 10.1021/jm0401457
BindingDB Entry DOI: 10.7270/Q2K64HJV
More data for this
Ligand-Target Pair