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Compile Data Set for Download or QSAR

Found 261 hits with Last Name = 'colon' and Initial = 'df'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Retinoic acid receptor beta


(Homo sapiens (Human))
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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Article
n/an/an/a 18n/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
Retinoic acid receptor alpha


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



TBA

Curated by ChEMBL


Assay Description
Transactivation potency of the compound was determined for Retinoic acid receptor alpha; Not active


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
Retinoic acid receptor beta


(Homo sapiens (Human))
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 18n/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
Retinoic acid receptor beta


(Homo sapiens (Human))
BDBM50290181
PNG
(4-(1-Heptyl-4,4-dimethyl-1,2,3,4-tetrahydro-quinol...)
Show SMILES CCCCCCCN1CCC(C)(C)c2cc(ccc12)C#Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C27H33NO2/c1-4-5-6-7-8-18-28-19-17-27(2,3)24-20-22(13-16-25(24)28)10-9-21-11-14-23(15-12-21)26(29)30/h11-16,20H,4-8,17-19H2,1-3H3,(H,29,30)
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n/an/an/a>1.00E+3n/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
Retinoic acid receptor alpha


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



TBA

Curated by ChEMBL


Assay Description
Transactivation potency of the compound was determined for Retinoic acid receptor alpha


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
Retinoic acid receptor gamma


(Homo sapiens (Human))
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/an/a 20n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Transactivation potency of the compound was determined 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
Retinoic acid receptor beta


(Homo sapiens (Human))
BDBM50290180
PNG
(4-(4,4-Dimethyl-1,2,3,4-tetrahydro-quinolin-7-ylet...)
Show SMILES CC1(C)CCNc2cc(ccc12)C#Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C20H19NO2/c1-20(2)11-12-21-18-13-15(7-10-17(18)20)4-3-14-5-8-16(9-6-14)19(22)23/h5-10,13,21H,11-12H2,1-2H3,(H,22,23)
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n/an/an/an/a 36n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Transactivation potency 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
Retinoic acid receptor gamma


(Homo sapiens (Human))
BDBM50290185
PNG
(4-(1-Isopropyl-4,4-dimethyl-1,2,3,4-tetrahydro-qui...)
Show SMILES CC(C)N1CCC(C)(C)c2cc(ccc12)C#Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C23H25NO2/c1-16(2)24-14-13-23(3,4)20-15-18(9-12-21(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/an/a 6n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Transactivation potency of the compound was determined 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
Retinoic acid receptor gamma


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



TBA

Curated by ChEMBL


Assay Description
Transactivation potency of the compound was determined 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
Retinoic acid receptor beta


(Homo sapiens (Human))
BDBM50290182
PNG
(4-(4,4-Dimethyl-2-oxo-1,2,3,4-tetrahydro-quinolin-...)
Show SMILES CC1(C)CC(=O)Nc2cc(ccc12)C#Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C20H17NO3/c1-20(2)12-18(22)21-17-11-14(7-10-16(17)20)4-3-13-5-8-15(9-6-13)19(23)24/h5-11H,12H2,1-2H3,(H,21,22)(H,23,24)
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n/an/an/an/a 1.00E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Transactivation potency 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
Retinoic acid receptor alpha


(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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Article
n/an/an/an/a 30n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Transactivation potency of the compound was determined for Retinoic acid receptor alpha


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)
Retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50290177
PNG
(4-(4,4-Dimethyl-1,2,3,4-tetrahydro-quinolin-6-ylet...)
Show SMILES CC1(C)CCNc2ccc(cc12)C#Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C20H19NO2/c1-20(2)11-12-21-18-10-7-15(13-17(18)20)4-3-14-5-8-16(9-6-14)19(22)23/h5-10,13,21H,11-12H2,1-2H3,(H,22,23)
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n/an/an/an/a 2.30E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Transactivation potency of the compound was determined for Retinoic acid receptor alpha


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
Retinoic acid receptor gamma


(Homo sapiens (Human))
BDBM50290182
PNG
(4-(4,4-Dimethyl-2-oxo-1,2,3,4-tetrahydro-quinolin-...)
Show SMILES CC1(C)CC(=O)Nc2cc(ccc12)C#Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C20H17NO3/c1-20(2)12-18(22)21-17-11-14(7-10-16(17)20)4-3-13-5-8-15(9-6-13)19(23)24/h5-11H,12H2,1-2H3,(H,21,22)(H,23,24)
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n/an/an/an/a 200n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Transactivation potency of the compound was determined 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
Retinoic acid receptor gamma


(Homo sapiens (Human))
BDBM50290180
PNG
(4-(4,4-Dimethyl-1,2,3,4-tetrahydro-quinolin-7-ylet...)
Show SMILES CC1(C)CCNc2cc(ccc12)C#Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C20H19NO2/c1-20(2)11-12-21-18-13-15(7-10-17(18)20)4-3-14-5-8-16(9-6-14)19(22)23/h5-10,13,21H,11-12H2,1-2H3,(H,22,23)
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n/an/an/an/a 54n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Transactivation potency of the compound was determined 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
Retinoic acid receptor beta


(Homo sapiens (Human))
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
Retinoic acid receptor gamma


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


(Homo sapiens (Human))
BDBM50290177
PNG
(4-(4,4-Dimethyl-1,2,3,4-tetrahydro-quinolin-6-ylet...)
Show SMILES CC1(C)CCNc2ccc(cc12)C#Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C20H19NO2/c1-20(2)11-12-21-18-10-7-15(13-17(18)20)4-3-14-5-8-16(9-6-14)19(22)23/h5-10,13,21H,11-12H2,1-2H3,(H,22,23)
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n/an/an/an/a 170n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Transactivation potency 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
Retinoic acid receptor gamma


(Homo sapiens (Human))
BDBM50290181
PNG
(4-(1-Heptyl-4,4-dimethyl-1,2,3,4-tetrahydro-quinol...)
Show SMILES CCCCCCCN1CCC(C)(C)c2cc(ccc12)C#Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C27H33NO2/c1-4-5-6-7-8-18-28-19-17-27(2,3)24-20-22(13-16-25(24)28)10-9-21-11-14-23(15-12-21)26(29)30/h11-16,20H,4-8,17-19H2,1-3H3,(H,29,30)
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n/an/an/an/a 260n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Transactivation potency of the compound was determined 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
Retinoic acid receptor beta


(Homo sapiens (Human))
BDBM50032218
PNG
(5-[(E)-2-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro...)
Show SMILES C\C(=C/c1ccc(o1)C(O)=O)c1cc2c(cc1C)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C23H28O3/c1-14(11-16-7-8-20(26-16)21(24)25)17-13-19-18(12-15(17)2)22(3,4)9-10-23(19,5)6/h7-8,11-13H,9-10H2,1-6H3,(H,24,25)/b14-11+
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n/an/an/an/a>0.00100n/an/an/an/a



Allergan, Inc

Curated by ChEMBL


Assay Description
Transcriptional activation of Retinoic acid receptor RAR beta


J Med Chem 38: 2820-9 (1995)


BindingDB Entry DOI: 10.7270/Q2FN157S
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(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/an/an/a>0.00100n/an/an/an/a



Allergan, Inc

Curated by ChEMBL


Assay Description
Transcriptional activation of Retinoid X receptor RXR alpha


J Med Chem 38: 2820-9 (1995)


BindingDB Entry DOI: 10.7270/Q2FN157S
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50032220
PNG
(5-[(E)-2-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro...)
Show SMILES C\C(=C/c1ccc(s1)C(O)=O)c1cc2c(cc1C)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C23H28O2S/c1-14(11-16-7-8-20(26-16)21(24)25)17-13-19-18(12-15(17)2)22(3,4)9-10-23(19,5)6/h7-8,11-13H,9-10H2,1-6H3,(H,24,25)/b14-11+
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n/an/an/an/a 11n/an/an/an/a



Allergan, Inc

Curated by ChEMBL


Assay Description
Transcriptional activation of Retinoid X receptor RXR alpha


J Med Chem 38: 2820-9 (1995)


BindingDB Entry DOI: 10.7270/Q2FN157S
More data for this
Ligand-Target Pair
Retinoic acid receptor gamma


(Homo sapiens (Human))
BDBM50032220
PNG
(5-[(E)-2-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro...)
Show SMILES C\C(=C/c1ccc(s1)C(O)=O)c1cc2c(cc1C)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C23H28O2S/c1-14(11-16-7-8-20(26-16)21(24)25)17-13-19-18(12-15(17)2)22(3,4)9-10-23(19,5)6/h7-8,11-13H,9-10H2,1-6H3,(H,24,25)/b14-11+
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n/an/an/an/a 37n/an/an/an/a



Allergan, Inc

Curated by ChEMBL


Assay Description
Transcriptional activation of Retinoic acid receptor RAR gamma


J Med Chem 38: 2820-9 (1995)


BindingDB Entry DOI: 10.7270/Q2FN157S
More data for this
Ligand-Target Pair
Retinoic acid receptor gamma


(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/an/an/a 152n/an/an/an/a



Allergan, Inc

Curated by ChEMBL


Assay Description
Transcriptional activation of Retinoic acid receptor RAR gamma


J Med Chem 38: 2820-9 (1995)


BindingDB Entry DOI: 10.7270/Q2FN157S
More data for this
Ligand-Target Pair
Retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50032222
PNG
(6-[(E)-2-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro...)
Show SMILES C\C(=C/c1ccc(cn1)C(O)=O)c1cc2c(cc1C)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H29NO2/c1-15(11-18-8-7-17(14-25-18)22(26)27)19-13-21-20(12-16(19)2)23(3,4)9-10-24(21,5)6/h7-8,11-14H,9-10H2,1-6H3,(H,26,27)/b15-11+
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n/an/an/an/a 2.69E+3n/an/an/an/a



Allergan, Inc

Curated by ChEMBL


Assay Description
Transcriptional activation of Retinoic acid receptor RAR alpha


J Med Chem 38: 2820-9 (1995)


BindingDB Entry DOI: 10.7270/Q2FN157S
More data for this
Ligand-Target Pair
Retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50032223
PNG
(4-[(E)-2-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro...)
Show SMILES C\C(=C/c1csc(c1)C(O)=O)c1cc2c(cc1C)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C23H28O2S/c1-14(9-16-11-20(21(24)25)26-13-16)17-12-19-18(10-15(17)2)22(3,4)7-8-23(19,5)6/h9-13H,7-8H2,1-6H3,(H,24,25)/b14-9+
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n/an/an/an/a>0.00100n/an/an/an/a



Allergan, Inc

Curated by ChEMBL


Assay Description
Transcriptional activation of Retinoic acid receptor RAR alpha


J Med Chem 38: 2820-9 (1995)


BindingDB Entry DOI: 10.7270/Q2FN157S
More data for this
Ligand-Target Pair
Retinoic acid receptor beta


(Homo sapiens (Human))
BDBM50032224
PNG
(3-[(E)-2-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro...)
Show SMILES C\C(=C/c1cccc(c1)C(O)=O)c1cc2c(cc1C)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C25H30O2/c1-16(12-18-8-7-9-19(14-18)23(26)27)20-15-22-21(13-17(20)2)24(3,4)10-11-25(22,5)6/h7-9,12-15H,10-11H2,1-6H3,(H,26,27)/b16-12+
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n/an/an/an/a>0.00100n/an/an/an/a



Allergan, Inc

Curated by ChEMBL


Assay Description
Transcriptional activation of Retinoic acid receptor RAR beta


J Med Chem 38: 2820-9 (1995)


BindingDB Entry DOI: 10.7270/Q2FN157S
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(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/an/an/a 385n/an/an/an/a



Allergan, Inc

Curated by ChEMBL


Assay Description
Transcriptional activation of Retinoid X receptor RXR alpha


J Med Chem 38: 2820-9 (1995)


BindingDB Entry DOI: 10.7270/Q2FN157S
More data for this
Ligand-Target Pair
Retinoic acid receptor beta


(Homo sapiens (Human))
BDBM50032220
PNG
(5-[(E)-2-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro...)
Show SMILES C\C(=C/c1ccc(s1)C(O)=O)c1cc2c(cc1C)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C23H28O2S/c1-14(11-16-7-8-20(26-16)21(24)25)17-13-19-18(12-15(17)2)22(3,4)9-10-23(19,5)6/h7-8,11-13H,9-10H2,1-6H3,(H,24,25)/b14-11+
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n/an/an/an/a 23n/an/an/an/a



Allergan, Inc

Curated by ChEMBL


Assay Description
Transcriptional activation of Retinoic acid receptor RAR beta


J Med Chem 38: 2820-9 (1995)


BindingDB Entry DOI: 10.7270/Q2FN157S
More data for this
Ligand-Target Pair
Retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50032224
PNG
(3-[(E)-2-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro...)
Show SMILES C\C(=C/c1cccc(c1)C(O)=O)c1cc2c(cc1C)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C25H30O2/c1-16(12-18-8-7-9-19(14-18)23(26)27)20-15-22-21(13-17(20)2)24(3,4)10-11-25(22,5)6/h7-9,12-15H,10-11H2,1-6H3,(H,26,27)/b16-12+
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n/an/an/an/a>0.00100n/an/an/an/a



Allergan, Inc

Curated by ChEMBL


Assay Description
Transcriptional activation of Retinoic acid receptor RAR alpha


J Med Chem 38: 2820-9 (1995)


BindingDB Entry DOI: 10.7270/Q2FN157S
More data for this
Ligand-Target Pair
Retinoic acid receptor beta


(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/an/an/a 74n/an/an/an/a



Allergan, Inc

Curated by ChEMBL


Assay Description
Transcriptional activation of Retinoic acid receptor RAR beta


J Med Chem 38: 2820-9 (1995)


BindingDB Entry DOI: 10.7270/Q2FN157S
More data for this
Ligand-Target Pair
Retinoic acid receptor gamma


(Homo sapiens (Human))
BDBM50032225
PNG
(5-[(E)-2-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro...)
Show SMILES C\C(=C/c1cc(cs1)C(O)=O)c1cc2c(cc1C)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C23H28O2S/c1-14(9-17-11-16(13-26-17)21(24)25)18-12-20-19(10-15(18)2)22(3,4)7-8-23(20,5)6/h9-13H,7-8H2,1-6H3,(H,24,25)/b14-9+
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n/an/an/an/a>0.00100n/an/an/an/a



Allergan, Inc

Curated by ChEMBL


Assay Description
Transcriptional activation of Retinoic acid receptor RAR gamma


J Med Chem 38: 2820-9 (1995)


BindingDB Entry DOI: 10.7270/Q2FN157S
More data for this
Ligand-Target Pair
Retinoic acid receptor beta


(Homo sapiens (Human))
BDBM31883
PNG
(9-cis-retinoic acid (9cRA) | ALL-TRANS-RETINOIC AC...)
Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O |c:4|
Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+
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n/an/an/an/a 1.5n/an/an/an/a



Allergan, Inc

Curated by ChEMBL


Assay Description
Transcriptional activation of Retinoic acid receptor RAR beta


J Med Chem 38: 2820-9 (1995)


BindingDB Entry DOI: 10.7270/Q2FN157S
More data for this
Ligand-Target Pair
Retinoic acid receptor gamma


(Homo sapiens (Human))
BDBM50032224
PNG
(3-[(E)-2-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro...)
Show SMILES C\C(=C/c1cccc(c1)C(O)=O)c1cc2c(cc1C)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C25H30O2/c1-16(12-18-8-7-9-19(14-18)23(26)27)20-15-22-21(13-17(20)2)24(3,4)10-11-25(22,5)6/h7-9,12-15H,10-11H2,1-6H3,(H,26,27)/b16-12+
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n/an/an/an/a>0.00100n/an/an/an/a



Allergan, Inc

Curated by ChEMBL


Assay Description
Transcriptional activation of Retinoic acid receptor RAR gamma


J Med Chem 38: 2820-9 (1995)


BindingDB Entry DOI: 10.7270/Q2FN157S
More data for this
Ligand-Target Pair
Retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50032220
PNG
(5-[(E)-2-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro...)
Show SMILES C\C(=C/c1ccc(s1)C(O)=O)c1cc2c(cc1C)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C23H28O2S/c1-14(11-16-7-8-20(26-16)21(24)25)17-13-19-18(12-15(17)2)22(3,4)9-10-23(19,5)6/h7-8,11-13H,9-10H2,1-6H3,(H,24,25)/b14-11+
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n/an/an/an/a>0.00100n/an/an/an/a



Allergan, Inc

Curated by ChEMBL


Assay Description
Transcriptional activation of Retinoic acid receptor RAR alpha


J Med Chem 38: 2820-9 (1995)


BindingDB Entry DOI: 10.7270/Q2FN157S
More data for this
Ligand-Target Pair
Retinoic acid receptor beta


(Homo sapiens (Human))
BDBM31892
PNG
(9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin...)
Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O |c:4|
Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+
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n/an/an/an/a 3.30n/an/an/an/a



Allergan, Inc

Curated by ChEMBL


Assay Description
Transcriptional activation of Retinoic acid receptor RAR beta


J Med Chem 38: 2820-9 (1995)


BindingDB Entry DOI: 10.7270/Q2FN157S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoic acid receptor alpha


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



Allergan, Inc

Curated by ChEMBL


Assay Description
Transcriptional activation of Retinoic acid receptor RAR alpha


J Med Chem 38: 2820-9 (1995)


BindingDB Entry DOI: 10.7270/Q2FN157S
More data for this
Ligand-Target Pair
Retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50032225
PNG
(5-[(E)-2-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro...)
Show SMILES C\C(=C/c1cc(cs1)C(O)=O)c1cc2c(cc1C)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C23H28O2S/c1-14(9-17-11-16(13-26-17)21(24)25)18-12-20-19(10-15(18)2)22(3,4)7-8-23(20,5)6/h9-13H,7-8H2,1-6H3,(H,24,25)/b14-9+
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n/an/an/an/a>0.00100n/an/an/an/a



Allergan, Inc

Curated by ChEMBL


Assay Description
Transcriptional activation of Retinoic acid receptor RAR alpha


J Med Chem 38: 2820-9 (1995)


BindingDB Entry DOI: 10.7270/Q2FN157S
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


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



Allergan, Inc

Curated by ChEMBL


Assay Description
Transcriptional activation of Retinoid X receptor RXR alpha


J Med Chem 38: 2820-9 (1995)


BindingDB Entry DOI: 10.7270/Q2FN157S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoic acid receptor gamma


(Homo sapiens (Human))
BDBM50032223
PNG
(4-[(E)-2-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro...)
Show SMILES C\C(=C/c1csc(c1)C(O)=O)c1cc2c(cc1C)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C23H28O2S/c1-14(9-16-11-20(21(24)25)26-13-16)17-12-19-18(10-15(17)2)22(3,4)7-8-23(19,5)6/h9-13H,7-8H2,1-6H3,(H,24,25)/b14-9+
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n/an/an/an/a>0.00100n/an/an/an/a



Allergan, Inc

Curated by ChEMBL


Assay Description
Transcriptional activation of Retinoic acid receptor RAR gamma


J Med Chem 38: 2820-9 (1995)


BindingDB Entry DOI: 10.7270/Q2FN157S
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50032222
PNG
(6-[(E)-2-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro...)
Show SMILES C\C(=C/c1ccc(cn1)C(O)=O)c1cc2c(cc1C)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H29NO2/c1-15(11-18-8-7-17(14-25-18)22(26)27)19-13-21-20(12-16(19)2)23(3,4)9-10-24(21,5)6/h7-8,11-14H,9-10H2,1-6H3,(H,26,27)/b15-11+
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n/an/an/an/a 105n/an/an/an/a



Allergan, Inc

Curated by ChEMBL


Assay Description
Transcriptional activation of Retinoid X receptor RXR alpha


J Med Chem 38: 2820-9 (1995)


BindingDB Entry DOI: 10.7270/Q2FN157S
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50032218
PNG
(5-[(E)-2-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro...)
Show SMILES C\C(=C/c1ccc(o1)C(O)=O)c1cc2c(cc1C)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C23H28O3/c1-14(11-16-7-8-20(26-16)21(24)25)17-13-19-18(12-15(17)2)22(3,4)9-10-23(19,5)6/h7-8,11-13H,9-10H2,1-6H3,(H,24,25)/b14-11+
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n/an/an/an/a 592n/an/an/an/a



Allergan, Inc

Curated by ChEMBL


Assay Description
Transcriptional activation of Retinoid X receptor RXR alpha


J Med Chem 38: 2820-9 (1995)


BindingDB Entry DOI: 10.7270/Q2FN157S
More data for this
Ligand-Target Pair
Retinoic acid receptor beta


(Homo sapiens (Human))
BDBM50032222
PNG
(6-[(E)-2-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro...)
Show SMILES C\C(=C/c1ccc(cn1)C(O)=O)c1cc2c(cc1C)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H29NO2/c1-15(11-18-8-7-17(14-25-18)22(26)27)19-13-21-20(12-16(19)2)23(3,4)9-10-24(21,5)6/h7-8,11-14H,9-10H2,1-6H3,(H,26,27)/b15-11+
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n/an/an/an/a 21n/an/an/an/a



Allergan, Inc

Curated by ChEMBL


Assay Description
Transcriptional activation of Retinoic acid receptor RAR beta


J Med Chem 38: 2820-9 (1995)


BindingDB Entry DOI: 10.7270/Q2FN157S
More data for this
Ligand-Target Pair
Retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50032218
PNG
(5-[(E)-2-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro...)
Show SMILES C\C(=C/c1ccc(o1)C(O)=O)c1cc2c(cc1C)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C23H28O3/c1-14(11-16-7-8-20(26-16)21(24)25)17-13-19-18(12-15(17)2)22(3,4)9-10-23(19,5)6/h7-8,11-13H,9-10H2,1-6H3,(H,24,25)/b14-11+
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n/an/an/an/a>0.00100n/an/an/an/a



Allergan, Inc

Curated by ChEMBL


Assay Description
Transcriptional activation of Retinoic acid receptor RAR alpha


J Med Chem 38: 2820-9 (1995)


BindingDB Entry DOI: 10.7270/Q2FN157S
More data for this
Ligand-Target Pair
Retinoic acid receptor alpha


(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/an/an/a 4.58E+3n/an/an/an/a



Allergan, Inc

Curated by ChEMBL


Assay Description
Transcriptional activation of Retinoic acid receptor RAR alpha


J Med Chem 38: 2820-9 (1995)


BindingDB Entry DOI: 10.7270/Q2FN157S
More data for this
Ligand-Target Pair
Retinoic acid receptor beta


(Homo sapiens (Human))
BDBM50032223
PNG
(4-[(E)-2-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro...)
Show SMILES C\C(=C/c1csc(c1)C(O)=O)c1cc2c(cc1C)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C23H28O2S/c1-14(9-16-11-20(21(24)25)26-13-16)17-12-19-18(10-15(17)2)22(3,4)7-8-23(19,5)6/h9-13H,7-8H2,1-6H3,(H,24,25)/b14-9+
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n/an/an/an/a 1.08E+3n/an/an/an/a



Allergan, Inc

Curated by ChEMBL


Assay Description
Transcriptional activation of Retinoic acid receptor RAR beta


J Med Chem 38: 2820-9 (1995)


BindingDB Entry DOI: 10.7270/Q2FN157S
More data for this
Ligand-Target Pair
Retinoic acid receptor gamma


(Homo sapiens (Human))
BDBM50032222
PNG
(6-[(E)-2-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro...)
Show SMILES C\C(=C/c1ccc(cn1)C(O)=O)c1cc2c(cc1C)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H29NO2/c1-15(11-18-8-7-17(14-25-18)22(26)27)19-13-21-20(12-16(19)2)23(3,4)9-10-24(21,5)6/h7-8,11-14H,9-10H2,1-6H3,(H,26,27)/b15-11+
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n/an/an/an/a 374n/an/an/an/a



Allergan, Inc

Curated by ChEMBL


Assay Description
Transcriptional activation of Retinoic acid receptor RAR gamma


J Med Chem 38: 2820-9 (1995)


BindingDB Entry DOI: 10.7270/Q2FN157S
More data for this
Ligand-Target Pair
Retinoic acid receptor gamma


(Homo sapiens (Human))
BDBM31883
PNG
(9-cis-retinoic acid (9cRA) | ALL-TRANS-RETINOIC AC...)
Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O |c:4|
Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+
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n/an/an/an/a 0.5n/an/an/an/a



Allergan, Inc

Curated by ChEMBL


Assay Description
Transcriptional activation of Retinoic acid receptor RAR gamma


J Med Chem 38: 2820-9 (1995)


BindingDB Entry DOI: 10.7270/Q2FN157S
More data for this
Ligand-Target Pair
Retinoic acid receptor gamma


(Homo sapiens (Human))
BDBM50032218
PNG
(5-[(E)-2-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro...)
Show SMILES C\C(=C/c1ccc(o1)C(O)=O)c1cc2c(cc1C)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C23H28O3/c1-14(11-16-7-8-20(26-16)21(24)25)17-13-19-18(12-15(17)2)22(3,4)9-10-23(19,5)6/h7-8,11-13H,9-10H2,1-6H3,(H,24,25)/b14-11+
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n/an/an/an/a>0.00100n/an/an/an/a



Allergan, Inc

Curated by ChEMBL


Assay Description
Transcriptional activation of Retinoic acid receptor RAR gamma


J Med Chem 38: 2820-9 (1995)


BindingDB Entry DOI: 10.7270/Q2FN157S
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50032225
PNG
(5-[(E)-2-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro...)
Show SMILES C\C(=C/c1cc(cs1)C(O)=O)c1cc2c(cc1C)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C23H28O2S/c1-14(9-17-11-16(13-26-17)21(24)25)18-12-20-19(10-15(18)2)22(3,4)7-8-23(20,5)6/h9-13H,7-8H2,1-6H3,(H,24,25)/b14-9+
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n/an/an/an/a 201n/an/an/an/a



Allergan, Inc

Curated by ChEMBL


Assay Description
Transcriptional activation of Retinoid X receptor RXR alpha


J Med Chem 38: 2820-9 (1995)


BindingDB Entry DOI: 10.7270/Q2FN157S
More data for this
Ligand-Target Pair
Retinoic acid receptor gamma


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



Allergan, Inc

Curated by ChEMBL


Assay Description
Transcriptional activation of Retinoic acid receptor RAR gamma


J Med Chem 38: 2820-9 (1995)


BindingDB Entry DOI: 10.7270/Q2FN157S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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