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Compile Data Set for Download or QSAR

Found 506 hits Enz. Inhib. hit(s) with Target = 'Retinoic acid receptor RXR-alpha/gamma'   
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)
BDBM50075367
PNG
((2E,4E)-3-Methyl-5-{2-[(E)-2-(2,6,6-trimethyl-cycl...)
Show SMILES C\C(\C=C\c1ccoc1\C=C\C1=C(C)CCCC1(C)C)=C/C(O)=O
Show InChI InChI=1S/C21H26O3/c1-15(14-20(22)23)7-8-17-11-13-24-19(17)10-9-18-16(2)6-5-12-21(18,3)4/h7-11,13-14H,5-6,12H2,1-4H3,(H,22,23)/b8-7+,10-9+,15-14+
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n/an/an/a>0.00100n/an/an/an/an/a



Allergan Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-RA binding to retinoic acid receptor RAR gamma


Bioorg Med Chem Lett 9: 589-94 (1999)


Article DOI: 10.1016/s0960-894x(99)00048-7
BindingDB Entry DOI: 10.7270/Q2J38RQ5
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens)
BDBM50075366
PNG
((2E,4E)-3-Methyl-5-{2-[(E)-2-(2,6,6-trimethyl-cycl...)
Show SMILES C\C(\C=C\c1ccccc1\C=C\C1=C(C)CCCC1(C)C)=C/C(O)=O
Show InChI InChI=1S/C23H28O2/c1-17(16-22(24)25)11-12-19-9-5-6-10-20(19)13-14-21-18(2)8-7-15-23(21,3)4/h5-6,9-14,16H,7-8,15H2,1-4H3,(H,24,25)/b12-11+,14-13+,17-16+
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n/an/an/a>0.00100n/an/an/an/an/a



Allergan Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-RA binding to retinoic acid receptor RAR gamma


Bioorg Med Chem Lett 9: 589-94 (1999)


Article DOI: 10.1016/s0960-894x(99)00048-7
BindingDB Entry DOI: 10.7270/Q2J38RQ5
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens)
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/an/a 0.200n/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Dissociation constant for Retinoic acid receptor gamma


J Med Chem 48: 6212-9 (2005)


Article DOI: 10.1021/jm050285w
BindingDB Entry DOI: 10.7270/Q26D5SJ6
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens)
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/an/a 0.300n/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Apparent binding constant against Retinoic acid receptor gamma in HeLa cell GAl-4 transactivation assay


J Med Chem 39: 2411-21 (1996)


Article DOI: 10.1021/jm9502293
BindingDB Entry DOI: 10.7270/Q2MS3RVK
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens)
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/an/a 0.800n/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Dissociation constant for Retinoic acid receptor gamma


J Med Chem 48: 6212-9 (2005)


Article DOI: 10.1021/jm050285w
BindingDB Entry DOI: 10.7270/Q26D5SJ6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoid receptor


(Homo sapiens)
BDBM50051553
PNG
(6-[1-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-napht...)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C(=C)c1ccc2cc(ccc2c1)C(O)=O
Show InChI InChI=1S/C27H28O2/c1-17(18-6-7-21-15-22(25(28)29)9-8-20(21)14-18)19-10-11-23-24(16-19)27(4,5)13-12-26(23,2)3/h6-11,14-16H,1,12-13H2,2-5H3,(H,28,29)
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n/an/an/a 1.30n/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Apparent binding constant against Retinoic acid receptor gamma in HeLa cell GAl-4 transactivation assay


J Med Chem 39: 2411-21 (1996)


Article DOI: 10.1021/jm9502293
BindingDB Entry DOI: 10.7270/Q2MS3RVK
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens)
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/an/a 3n/an/an/an/an/a



Università di Ferrara

Curated by ChEMBL


Assay Description
In vitro binding affinity for Retinoic acid receptor RAR gamma


J Med Chem 42: 4961-9 (2000)


Article DOI: 10.1021/jm991059n
BindingDB Entry DOI: 10.7270/Q24F1PX3
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens)
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/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)


Article DOI: 10.1021/jm00024a003
BindingDB Entry DOI: 10.7270/Q22N5194
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens)
BDBM31886
PNG
(CD564 | CHEMBL309282)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C(=O)c1ccc2cc(ccc2c1)C(O)=O
Show InChI InChI=1S/C26H26O3/c1-25(2)11-12-26(3,4)22-15-19(9-10-21(22)25)23(27)18-7-5-17-14-20(24(28)29)8-6-16(17)13-18/h5-10,13-15H,11-12H2,1-4H3,(H,28,29)
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n/an/an/a 3n/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Apparent binding constant against Retinoic acid receptor gamma in HeLa cell GAl-4 transactivation assay


J Med Chem 39: 2411-21 (1996)


Article DOI: 10.1021/jm9502293
BindingDB Entry DOI: 10.7270/Q2MS3RVK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoid receptor


(Homo sapiens)
BDBM50051552
PNG
(6-[HYDROXYIMINO-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRA...)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C(N=O)c1ccc2cc(ccc2c1)C(O)=O
Show InChI InChI=1S/C26H27NO3/c1-25(2)11-12-26(3,4)22-15-19(9-10-21(22)25)23(27-30)18-7-5-17-14-20(24(28)29)8-6-16(17)13-18/h5-10,13-15,23H,11-12H2,1-4H3,(H,28,29)
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n/an/an/a 3.30n/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Apparent binding constant against Retinoic acid receptor gamma in HeLa cell GAl-4 transactivation assay


J Med Chem 39: 2411-21 (1996)


Article DOI: 10.1021/jm9502293
BindingDB Entry DOI: 10.7270/Q2MS3RVK
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens)
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/an/a 4n/an/an/an/an/a



Allergan Inc

Curated by ChEMBL


Assay Description
Binding affinity towards retinoic acid receptor gamma 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
Retinoid receptor


(Homo sapiens)
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/an/a 5n/an/an/an/an/a



Allergan Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity of [3H]- RA to baculovirus expressed human Retinoic acid receptor gamma


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/gamma


(Homo sapiens)
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/an/a 5n/an/an/an/an/a



Allergan Inc

Curated by ChEMBL


Assay Description
Binding affinity towards retinoic acid receptor gamma 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
Retinoid receptor


(Homo sapiens)
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/an/a 6n/an/an/an/an/a



Allergan Inc

Curated by ChEMBL


Assay Description
Binding affinity towards retinoic acid receptor gamma 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
Retinoid receptor


(Homo sapiens)
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/an/a 7n/an/an/an/an/a



Allergan Inc.

Curated by ChEMBL


Assay Description
Ability to displace 3[H]-(all-E)-retinoic acid (5 nM) from Retinoic acid receptor gamma using transactivation assay


Bioorg Med Chem Lett 9: 573-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00047-5
BindingDB Entry DOI: 10.7270/Q2SN084D
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens)
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/an/a 7n/an/an/an/an/a



Allergan Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity of [3H]- RA to baculovirus expressed human Retinoic acid receptor gamma


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)
BDBM50051554
PNG
(6-[2,2-Difluoro-1-(5,5,8,8-tetramethyl-5,6,7,8-tet...)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C(=C(F)F)c1ccc2cc(ccc2c1)C(O)=O
Show InChI InChI=1S/C27H26F2O2/c1-26(2)11-12-27(3,4)22-15-19(9-10-21(22)26)23(24(28)29)18-7-5-17-14-20(25(30)31)8-6-16(17)13-18/h5-10,13-15H,11-12H2,1-4H3,(H,30,31)
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n/an/an/a 7.5n/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Apparent binding constant against Retinoic acid receptor gamma in HeLa cell GAl-4 transactivation assay


J Med Chem 39: 2411-21 (1996)


Article DOI: 10.1021/jm9502293
BindingDB Entry DOI: 10.7270/Q2MS3RVK
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens)
BDBM50055112
PNG
(4-[(5,5-Dimethyl-8-thiophen-2-yl-5,6-dihydro-napht...)
Show SMILES CC1(C)CC=C(c2cccs2)c2cc(ccc12)C(=O)Nc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C24H21NO3S/c1-24(2)12-11-18(21-4-3-13-29-21)19-14-16(7-10-20(19)24)22(26)25-17-8-5-15(6-9-17)23(27)28/h3-11,13-14H,12H2,1-2H3,(H,25,26)(H,27,28)
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n/an/an/a>10n/an/an/an/an/a



Allergan Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-ATRA binding to baculovirus expressed Retinoic acid receptor RAR gamma


J Med Chem 39: 5027-30 (1997)


Article DOI: 10.1021/jm960687r
BindingDB Entry DOI: 10.7270/Q2TT4Q2F
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens)
BDBM50101446
PNG
((2E,4E)-3-Methyl-5-[(1R,2R)-2-methyl-2-(5,5,8,8-te...)
Show SMILES C\C(\C=C\[C@H]1C[C@@]1(C)c1ccc2c(c1)C(C)(C)CCC2(C)C)=C/C(O)=O
Show InChI InChI=1S/C24H32O2/c1-16(13-21(25)26)7-8-18-15-24(18,6)17-9-10-19-20(14-17)23(4,5)12-11-22(19,2)3/h7-10,13-14,18H,11-12,15H2,1-6H3,(H,25,26)/b8-7+,16-13+/t18-,24-/m0/s1
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n/an/an/a>10n/an/an/an/an/a



Allergan Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-ATRA binding to baculovirus expressed retinoic acid receptor RAR-gamma


J Med Chem 44: 2298-303 (2001)


Article DOI: 10.1021/jm0100584
BindingDB Entry DOI: 10.7270/Q2P84B41
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens)
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/an/a 11n/an/an/an/an/a



Allergan Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity of [3H]- RA to baculovirus expressed human Retinoic acid receptor gamma


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)
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/an/a 14n/an/an/an/an/a



Allergan Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity of [3H]- RA to baculovirus expressed human Retinoic acid receptor gamma


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)
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/an/a 16n/an/an/an/an/a



Allergan Inc.

Curated by ChEMBL


Assay Description
Binding affinity for retinoic acid receptor RAR gamma


Bioorg Med Chem Lett 12: 3145-8 (2002)


Article DOI: 10.1016/s0960-894x(02)00647-9
BindingDB Entry DOI: 10.7270/Q2WW7H0H
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens)
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/an/a 16n/an/an/an/an/a



Allergan Inc

Curated by ChEMBL


Assay Description
Binding affinity towards retinoic acid receptor gamma 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/gamma


(Homo sapiens)
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/an/a 17n/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-9-cis-RA binding to mouse Retinoid X receptor RXR beta


Bioorg Med Chem Lett 13: 261-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00924-1
BindingDB Entry DOI: 10.7270/Q29P310V
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha/gamma


(Homo sapiens)
BDBM50290179
PNG
(4-(1-Isopropyl-4,4-dimethyl-2-oxo-1,2,3,4-tetrahyd...)
Show SMILES CC(C)N1C(=O)CC(C)(C)c2cc(ccc12)C#Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C23H23NO3/c1-15(2)24-20-12-9-17(13-19(20)23(3,4)14-21(24)25)6-5-16-7-10-18(11-8-16)22(26)27/h7-13,15H,14H2,1-4H3,(H,26,27)
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n/an/an/a 17n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity of the compound was determined for Retinoic acid receptor beta


Bioorg Med Chem Lett 7: 2373-2378 (1997)


Article DOI: 10.1016/S0960-894X(97)00435-6
BindingDB Entry DOI: 10.7270/Q2K35TN8
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens)
BDBM50075881
PNG
(4-[2,2-Dimethyl-4-(5-methyl-thiophen-2-yl)-2H-1-th...)
Show SMILES Cc1ccc(s1)C1=CC(C)(C)Sc2cc3ccc(cc3cc12)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C27H22O2S2/c1-16-4-11-24(30-16)23-15-27(2,3)31-25-14-20-10-9-19(12-21(20)13-22(23)25)17-5-7-18(8-6-17)26(28)29/h4-15H,1-3H3,(H,28,29)
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n/an/an/a 18n/an/an/an/an/a



Allergan Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity of [3H]- RA to baculovirus expressed human Retinoic acid receptor gamma


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)
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/an/a 18n/an/an/an/an/a



Allergan Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-RA binding to retinoic acid receptor RAR gamma


Bioorg Med Chem Lett 9: 589-94 (1999)


Article DOI: 10.1016/s0960-894x(99)00048-7
BindingDB Entry DOI: 10.7270/Q2J38RQ5
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens)
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/an/a 18n/an/an/an/an/a



Allergan Inc.

Curated by ChEMBL


Assay Description
Ability to displace 3[H]-(all-E)-retinoic acid (5 nM) from Retinoic acid receptor gamma using transactivation assay


Bioorg Med Chem Lett 9: 573-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00047-5
BindingDB Entry DOI: 10.7270/Q2SN084D
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens)
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/an/a 18n/an/an/an/an/a



Allergan Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-ATRA binding to baculovirus expressed Retinoic acid receptor RAR gamma


J Med Chem 39: 5027-30 (1997)


Article DOI: 10.1021/jm960687r
BindingDB Entry DOI: 10.7270/Q2TT4Q2F
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens)
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/an/a 18n/an/an/an/an/a



Allergan Inc

Curated by ChEMBL


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


J Med Chem 39: 3035-8 (1996)


Article DOI: 10.1021/jm9603532
BindingDB Entry DOI: 10.7270/Q2W37VD3
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens)
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/an/a 18n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for Retinoic acid receptor gamma


Bioorg Med Chem Lett 7: 2373-2378 (1997)


Article DOI: 10.1016/S0960-894X(97)00435-6
BindingDB Entry DOI: 10.7270/Q2K35TN8
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens)
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/an/a 18n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity against retinoic acid receptor using 5 nM of [3H]-RA as a radioligand in baculovirus expressed receptor


Bioorg Med Chem Lett 6: 213-218 (1996)


Article DOI: 10.1016/0960-894X(95)00588-K
BindingDB Entry DOI: 10.7270/Q2BC3ZHZ
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens)
BDBM50075349
PNG
(4-[8-(4-Ethyl-phenyl)-5,5-dimethyl-5,6-dihydro-nap...)
Show SMILES CCc1ccc(cc1)C1=CCC(C)(C)c2ccc(cc12)C#Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C29H26O2/c1-4-20-7-12-23(13-8-20)25-17-18-29(2,3)27-16-11-22(19-26(25)27)6-5-21-9-14-24(15-10-21)28(30)31/h7-17,19H,4,18H2,1-3H3,(H,30,31)
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n/an/an/a 19n/an/an/an/an/a



Allergan Inc.

Curated by ChEMBL


Assay Description
Ability to displace 3[H]-(all-E)-retinoic acid (5 nM) from Retinoic acid receptor gamma using transactivation assay


Bioorg Med Chem Lett 9: 573-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00047-5
BindingDB Entry DOI: 10.7270/Q2SN084D
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens)
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/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)


Article DOI: 10.1021/jm00024a003
BindingDB Entry DOI: 10.7270/Q22N5194
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha/gamma


(Homo sapiens)
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/an/a 21n/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
Retinoid receptor


(Homo sapiens)
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/an/a 22n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity against retinoic acid receptor using 5 nM of [3H]-RA as a radioligand in baculovirus expressed receptor


Bioorg Med Chem Lett 6: 213-218 (1996)


Article DOI: 10.1016/0960-894X(95)00588-K
BindingDB Entry DOI: 10.7270/Q2BC3ZHZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoic acid receptor RXR-alpha/gamma


(Homo sapiens)
BDBM50290178
PNG
(4-(1-Isopropyl-4,4-dimethyl-2-oxo-1,2,3,4-tetrahyd...)
Show SMILES CC(C)N1C(=O)CC(C)(C)c2ccc(cc12)C#Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C23H23NO3/c1-15(2)24-20-13-17(9-12-19(20)23(3,4)14-21(24)25)6-5-16-7-10-18(11-8-16)22(26)27/h7-13,15H,14H2,1-4H3,(H,26,27)
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n/an/an/a 23n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for Retinoic acid receptor gamma


Bioorg Med Chem Lett 7: 2373-2378 (1997)


Article DOI: 10.1016/S0960-894X(97)00435-6
BindingDB Entry DOI: 10.7270/Q2K35TN8
More data for this
Ligand-Target Pair
Retinoid receptor


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



TBA

Curated by ChEMBL


Assay Description
Binding affinity for Retinoic acid receptor gamma


Bioorg Med Chem Lett 7: 2373-2378 (1997)


Article DOI: 10.1016/S0960-894X(97)00435-6
BindingDB Entry DOI: 10.7270/Q2K35TN8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoid receptor


(Homo sapiens)
BDBM50045268
PNG
(4-[(Z)-2-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-n...)
Show SMILES C\C(=C\c1ccc(cc1)C(O)=O)c1ccc2c(c1)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H28O2/c1-16(14-17-6-8-18(9-7-17)22(25)26)19-10-11-20-21(15-19)24(4,5)13-12-23(20,2)3/h6-11,14-15H,12-13H2,1-5H3,(H,25,26)/b16-14-
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n/an/an/a 26n/an/an/an/an/a



Allergan Inc

Curated by ChEMBL


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


J Med Chem 39: 3035-8 (1996)


Article DOI: 10.1021/jm9603532
BindingDB Entry DOI: 10.7270/Q2W37VD3
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens)
BDBM50097819
PNG
(4-[(E)-3-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-n...)
Show SMILES CC1(C)CCC(C)(C)c2cc(C\C=C\c3ccc(cc3)C(O)=O)ccc12
Show InChI InChI=1S/C24H28O2/c1-23(2)14-15-24(3,4)21-16-18(10-13-20(21)23)7-5-6-17-8-11-19(12-9-17)22(25)26/h5-6,8-13,16H,7,14-15H2,1-4H3,(H,25,26)/b6-5+
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n/an/an/a 26n/an/an/an/an/a



Allergan Inc

Curated by ChEMBL


Assay Description
Binding affinity towards retinoic acid receptor gamma 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
Retinoid receptor


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



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Dissociation constant for Retinoic acid receptor gamma


J Med Chem 48: 6212-9 (2005)


Article DOI: 10.1021/jm050285w
BindingDB Entry DOI: 10.7270/Q26D5SJ6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoid receptor


(Homo sapiens)
BDBM50075352
PNG
(4-[8-(4-Chloro-phenyl)-5,5-dimethyl-5,6-dihydro-na...)
Show SMILES CC1(C)CC=C(c2ccc(Cl)cc2)c2cc(ccc12)C#Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C27H21ClO2/c1-27(2)16-15-23(20-10-12-22(28)13-11-20)24-17-19(7-14-25(24)27)4-3-18-5-8-21(9-6-18)26(29)30/h5-15,17H,16H2,1-2H3,(H,29,30)
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n/an/an/a 27n/an/an/an/an/a



Allergan Inc.

Curated by ChEMBL


Assay Description
Ability to displace 3[H]-(all-E)-retinoic acid (5 nM) from Retinoic acid receptor gamma using transactivation assay


Bioorg Med Chem Lett 9: 573-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00047-5
BindingDB Entry DOI: 10.7270/Q2SN084D
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens)
BDBM50101445
PNG
((2E,4E)-3-Methyl-5-[(1S,2S)-2-methyl-2-(5,5,8,8-te...)
Show SMILES C\C(\C=C\[C@@H]1C[C@]1(C)c1ccc2c(c1)C(C)(C)CCC2(C)C)=C/C(O)=O
Show InChI InChI=1S/C24H32O2/c1-16(13-21(25)26)7-8-18-15-24(18,6)17-9-10-19-20(14-17)23(4,5)12-11-22(19,2)3/h7-10,13-14,18H,11-12,15H2,1-6H3,(H,25,26)/b8-7+,16-13+/t18-,24-/m1/s1
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n/an/an/a>30n/an/an/an/an/a



Allergan Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-ATRA binding to baculovirus expressed retinoic acid receptor RAR-gamma


J Med Chem 44: 2298-303 (2001)


Article DOI: 10.1021/jm0100584
BindingDB Entry DOI: 10.7270/Q2P84B41
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens)
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/an/a 33n/an/an/an/an/a



Allergan Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity of [3H]- RA to baculovirus expressed human Retinoic acid receptor gamma


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)
BDBM50075351
PNG
(4-(5,5-Dimethyl-8-o-tolyl-5,6-dihydro-naphthalen-2...)
Show SMILES Cc1ccccc1C1=CCC(C)(C)c2ccc(cc12)C#Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C28H24O2/c1-19-6-4-5-7-23(19)24-16-17-28(2,3)26-15-12-21(18-25(24)26)9-8-20-10-13-22(14-11-20)27(29)30/h4-7,10-16,18H,17H2,1-3H3,(H,29,30)
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n/an/an/a 35n/an/an/an/an/a



Allergan Inc.

Curated by ChEMBL


Assay Description
Ability to displace 3[H]-(all-E)-retinoic acid (5 nM) from Retinoic acid receptor gamma using transactivation assay


Bioorg Med Chem Lett 9: 573-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00047-5
BindingDB Entry DOI: 10.7270/Q2SN084D
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens)
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/an/a 36n/an/an/an/an/a



Allergan Inc

Curated by ChEMBL


Assay Description
Binding affinity towards retinoic acid receptor gamma 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
Retinoid receptor


(Homo sapiens)
BDBM50075346
PNG
(4-[8-(4-Methoxy-phenyl)-5,5-dimethyl-5,6-dihydro-n...)
Show SMILES COc1ccc(cc1)C1=CCC(C)(C)c2ccc(cc12)C#Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C28H24O3/c1-28(2)17-16-24(21-11-13-23(31-3)14-12-21)25-18-20(8-15-26(25)28)5-4-19-6-9-22(10-7-19)27(29)30/h6-16,18H,17H2,1-3H3,(H,29,30)
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n/an/an/a 36n/an/an/an/an/a



Allergan Inc.

Curated by ChEMBL


Assay Description
Ability to displace 3[H]-(all-E)-retinoic acid (5 nM) from Retinoic acid receptor gamma using transactivation assay


Bioorg Med Chem Lett 9: 573-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00047-5
BindingDB Entry DOI: 10.7270/Q2SN084D
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens)
BDBM50075345
PNG
(4-(5,5-Dimethyl-8-phenyl-5,6-dihydro-naphthalen-2-...)
Show SMILES CC1(C)CC=C(c2ccccc2)c2cc(ccc12)C#Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C27H22O2/c1-27(2)17-16-23(21-6-4-3-5-7-21)24-18-20(12-15-25(24)27)9-8-19-10-13-22(14-11-19)26(28)29/h3-7,10-16,18H,17H2,1-2H3,(H,28,29)
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n/an/an/a 42n/an/an/an/an/a



Allergan Inc.

Curated by ChEMBL


Assay Description
Ability to displace 3[H]-(all-E)-retinoic acid (5 nM) from Retinoic acid receptor gamma using transactivation assay


Bioorg Med Chem Lett 9: 573-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00047-5
BindingDB Entry DOI: 10.7270/Q2SN084D
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens)
BDBM50075353
PNG
(4-[8-(4-Cyano-phenyl)-5,5-dimethyl-5,6-dihydro-nap...)
Show SMILES CC1(C)CC=C(c2ccc(cc2)C#N)c2cc(ccc12)C#Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C28H21NO2/c1-28(2)16-15-24(22-10-7-21(18-29)8-11-22)25-17-20(9-14-26(25)28)4-3-19-5-12-23(13-6-19)27(30)31/h5-15,17H,16H2,1-2H3,(H,30,31)
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n/an/an/a 51n/an/an/an/an/a



Allergan Inc.

Curated by ChEMBL


Assay Description
Ability to displace 3[H]-(all-E)-retinoic acid (5 nM) from Retinoic acid receptor gamma using transactivation assay


Bioorg Med Chem Lett 9: 573-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00047-5
BindingDB Entry DOI: 10.7270/Q2SN084D
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens)
BDBM50290184
PNG
(4-(1-Isopropyl-4,4-dimethyl-1,2,3,4-tetrahydro-qui...)
Show SMILES CC(C)N1CCC(C)(C)c2ccc(cc12)C#Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C23H25NO2/c1-16(2)24-14-13-23(3,4)20-12-9-18(15-21(20)24)6-5-17-7-10-19(11-8-17)22(25)26/h7-12,15-16H,13-14H2,1-4H3,(H,25,26)
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n/an/an/a 52n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for Retinoic acid receptor gamma


Bioorg Med Chem Lett 7: 2373-2378 (1997)


Article DOI: 10.1016/S0960-894X(97)00435-6
BindingDB Entry DOI: 10.7270/Q2K35TN8
More data for this
Ligand-Target Pair
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