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Compile Data Set for Download or QSAR

Found 66 hits from Allergan Inc   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Retinoic acid receptor RXR-alpha/gamma


(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/a 3n/an/an/an/an/an/a



Allergan Inc

Curated by ChEMBL


Assay Description
Binding affinity towards retinoic acid receptor alpha 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)
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 3n/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)
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 5n/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)
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
Retinoic acid receptor RXR-alpha/Retinoic acid receptor beta


(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/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)
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 X receptor gamma/retinoic acid receptor alpha


(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/a 31n/an/an/an/an/an/a



Allergan Inc

Curated by ChEMBL


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


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)
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 31n/an/an/an/an/an/a



Allergan Inc

Curated by ChEMBL


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


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)
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)
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
Retinoic acid receptor alpha/Retinoid X receptor alpha


(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/a 210n/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 X receptor gamma/retinoic acid receptor alpha


(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/a 220n/an/an/an/an/an/a



Allergan Inc

Curated by ChEMBL


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


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 X receptor gamma/retinoic acid receptor alpha


(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/a 225n/an/an/an/an/an/a



Allergan Inc

Curated by ChEMBL


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


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)
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 331n/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
Retinoic acid receptor alpha/Retinoid X receptor alpha


(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/a 875n/an/an/an/an/an/a



Allergan Inc

Curated by ChEMBL


Assay Description
Ability to inhibit TTNPB-induced transactivation at retinoic acid receptor alpha


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 alpha/Retinoid X receptor alpha


(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 136n/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
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/an/a 6n/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 alpha/Retinoid X receptor alpha


(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 17n/an/an/an/an/a



Allergan Inc

Curated by ChEMBL


Assay Description
Binding affinity towards retinoic acid receptor alpha 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)
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/an/a 8n/an/an/an/a



Allergan Inc

Curated by ChEMBL


Assay Description
Ability to inhibit TTNPB-induced transactivation 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
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
Retinoic acid receptor RXR-alpha/gamma


(Homo sapiens)
BDBM50097824
PNG
(4-[(E)-4-(2,6,6-Trimethyl-cyclohex-1-enyl)-but-3-e...)
Show SMILES CC1=C(\C=C\C#Cc2ccc(cc2)C(O)=O)C(C)(C)CCC1
Show InChI InChI=1S/C20H22O2/c1-15-7-6-14-20(2,3)18(15)9-5-4-8-16-10-12-17(13-11-16)19(21)22/h5,9-13H,6-7,14H2,1-3H3,(H,21,22)/b9-5+
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n/an/an/a 190n/an/an/an/an/a



Allergan Inc

Curated by ChEMBL


Assay Description
Ability to inhibit TTNPB-induced transactivation 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
Retinoic acid receptor RXR-alpha/Retinoic acid receptor beta


(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 inhibit TTNPB-induced transactivation 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
Retinoic acid receptor alpha/Retinoid X receptor alpha


(Homo sapiens)
BDBM50097824
PNG
(4-[(E)-4-(2,6,6-Trimethyl-cyclohex-1-enyl)-but-3-e...)
Show SMILES CC1=C(\C=C\C#Cc2ccc(cc2)C(O)=O)C(C)(C)CCC1
Show InChI InChI=1S/C20H22O2/c1-15-7-6-14-20(2,3)18(15)9-5-4-8-16-10-12-17(13-11-16)19(21)22/h5,9-13H,6-7,14H2,1-3H3,(H,21,22)/b9-5+
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n/an/an/an/a 435n/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
Retinoic acid receptor RXR-alpha/Retinoic acid receptor beta


(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 4n/an/an/an/an/a



Allergan Inc

Curated by ChEMBL


Assay Description
Ability to inhibit TTNPB-induced transactivation 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
Retinoic acid receptor RXR-alpha/gamma


(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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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)
BDBM50097824
PNG
(4-[(E)-4-(2,6,6-Trimethyl-cyclohex-1-enyl)-but-3-e...)
Show SMILES CC1=C(\C=C\C#Cc2ccc(cc2)C(O)=O)C(C)(C)CCC1
Show InChI InChI=1S/C20H22O2/c1-15-7-6-14-20(2,3)18(15)9-5-4-8-16-10-12-17(13-11-16)19(21)22/h5,9-13H,6-7,14H2,1-3H3,(H,21,22)/b9-5+
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n/an/an/an/a 7n/an/an/an/a



Allergan Inc

Curated by ChEMBL


Assay Description
Binding affinity towards retinoic acid receptor alpha 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 alpha/Retinoid X receptor alpha


(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 14n/an/an/an/an/a



Allergan Inc

Curated by ChEMBL


Assay Description
Ability to inhibit TTNPB-induced transactivation 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
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
Retinoic acid receptor alpha/Retinoid X receptor alpha


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



Allergan Inc

Curated by ChEMBL


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


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 alpha/Retinoid X receptor alpha


(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 129n/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/Retinoic acid receptor beta


(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/an/a 38n/an/an/an/a



Allergan Inc

Curated by ChEMBL


Assay Description
Ability to inhibit TTNPB-induced transactivation at retinoic acid receptor alpha


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)
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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Allergan Inc

Curated by ChEMBL


Assay Description
Binding affinity towards retinoic acid receptor alpha 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 X receptor gamma/retinoic acid receptor alpha


(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 350n/an/an/an/an/a



Allergan Inc

Curated by ChEMBL


Assay Description
Binding affinity towards retinoic acid receptor alpha 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)
BDBM50097824
PNG
(4-[(E)-4-(2,6,6-Trimethyl-cyclohex-1-enyl)-but-3-e...)
Show SMILES CC1=C(\C=C\C#Cc2ccc(cc2)C(O)=O)C(C)(C)CCC1
Show InChI InChI=1S/C20H22O2/c1-15-7-6-14-20(2,3)18(15)9-5-4-8-16-10-12-17(13-11-16)19(21)22/h5,9-13H,6-7,14H2,1-3H3,(H,21,22)/b9-5+
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n/an/an/an/a 10n/an/an/an/a



Allergan Inc

Curated by ChEMBL


Assay Description
Ability to inhibit TTNPB-induced transactivation 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)
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 X receptor gamma/retinoic acid receptor alpha


(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 148n/an/an/an/an/a



Allergan Inc

Curated by ChEMBL


Assay Description
Binding affinity towards retinoic acid receptor alpha 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)
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 X receptor gamma/retinoic acid receptor alpha


(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/an/a 240n/an/an/an/a



Allergan Inc

Curated by ChEMBL


Assay Description
Ability to inhibit TTNPB-induced transactivation at retinoic acid receptor alpha


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)
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 27n/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 X receptor gamma/retinoic acid receptor alpha


(Homo sapiens)
BDBM50097824
PNG
(4-[(E)-4-(2,6,6-Trimethyl-cyclohex-1-enyl)-but-3-e...)
Show SMILES CC1=C(\C=C\C#Cc2ccc(cc2)C(O)=O)C(C)(C)CCC1
Show InChI InChI=1S/C20H22O2/c1-15-7-6-14-20(2,3)18(15)9-5-4-8-16-10-12-17(13-11-16)19(21)22/h5,9-13H,6-7,14H2,1-3H3,(H,21,22)/b9-5+
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n/an/an/a 135n/an/an/an/an/a



Allergan Inc

Curated by ChEMBL


Assay Description
Binding affinity towards retinoic acid receptor alpha 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)
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)
BDBM50097824
PNG
(4-[(E)-4-(2,6,6-Trimethyl-cyclohex-1-enyl)-but-3-e...)
Show SMILES CC1=C(\C=C\C#Cc2ccc(cc2)C(O)=O)C(C)(C)CCC1
Show InChI InChI=1S/C20H22O2/c1-15-7-6-14-20(2,3)18(15)9-5-4-8-16-10-12-17(13-11-16)19(21)22/h5,9-13H,6-7,14H2,1-3H3,(H,21,22)/b9-5+
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n/an/an/a 20n/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)
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 5n/an/an/an/an/a



Allergan Inc

Curated by ChEMBL


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


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)
BDBM50052412
PNG
(4-[(4-Bromo-3-hydroxy-5,5,8,8-tetramethyl-5,6,7,8-...)
Show SMILES CC1(C)CCC(C)(C)c2c(Br)c(O)c(cc12)C(=O)Nc1cc(F)c(C(O)=O)c(F)c1
Show InChI InChI=1S/C22H22BrF2NO4/c1-21(2)5-6-22(3,4)16-12(21)9-11(18(27)17(16)23)19(28)26-10-7-13(24)15(20(29)30)14(25)8-10/h7-9,27H,5-6H2,1-4H3,(H,26,28)(H,29,30)
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n/an/an/a>3.00E+4n/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)
BDBM50052412
PNG
(4-[(4-Bromo-3-hydroxy-5,5,8,8-tetramethyl-5,6,7,8-...)
Show SMILES CC1(C)CCC(C)(C)c2c(Br)c(O)c(cc12)C(=O)Nc1cc(F)c(C(O)=O)c(F)c1
Show InChI InChI=1S/C22H22BrF2NO4/c1-21(2)5-6-22(3,4)16-12(21)9-11(18(27)17(16)23)19(28)26-10-7-13(24)15(20(29)30)14(25)8-10/h7-9,27H,5-6H2,1-4H3,(H,26,28)(H,29,30)
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n/an/an/a 1.74E+4n/an/an/an/an/a



Allergan Inc

Curated by ChEMBL


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


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)
BDBM50052413
PNG
(4-[(4-Bromo-3-hydroxy-5,5,8,8-tetramethyl-5,6,7,8-...)
Show SMILES CC1(C)CCC(C)(C)c2c(Br)c(O)c(cc12)C(=O)Nc1ccc(C(O)=O)c(F)c1
Show InChI InChI=1S/C22H23BrFNO4/c1-21(2)7-8-22(3,4)16-14(21)10-13(18(26)17(16)23)19(27)25-11-5-6-12(20(28)29)15(24)9-11/h5-6,9-10,26H,7-8H2,1-4H3,(H,25,27)(H,28,29)
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n/an/an/a 3.04E+3n/an/an/an/an/a



Allergan Inc

Curated by ChEMBL


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


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)
BDBM50052413
PNG
(4-[(4-Bromo-3-hydroxy-5,5,8,8-tetramethyl-5,6,7,8-...)
Show SMILES CC1(C)CCC(C)(C)c2c(Br)c(O)c(cc12)C(=O)Nc1ccc(C(O)=O)c(F)c1
Show InChI InChI=1S/C22H23BrFNO4/c1-21(2)7-8-22(3,4)16-14(21)10-13(18(26)17(16)23)19(27)25-11-5-6-12(20(28)29)15(24)9-11/h5-6,9-10,26H,7-8H2,1-4H3,(H,25,27)(H,28,29)
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n/an/an/a>3.00E+4n/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 X receptor gamma/retinoic acid receptor alpha


(Homo sapiens)
BDBM50052412
PNG
(4-[(4-Bromo-3-hydroxy-5,5,8,8-tetramethyl-5,6,7,8-...)
Show SMILES CC1(C)CCC(C)(C)c2c(Br)c(O)c(cc12)C(=O)Nc1cc(F)c(C(O)=O)c(F)c1
Show InChI InChI=1S/C22H22BrF2NO4/c1-21(2)5-6-22(3,4)16-12(21)9-11(18(27)17(16)23)19(28)26-10-7-13(24)15(20(29)30)14(25)8-10/h7-9,27H,5-6H2,1-4H3,(H,26,28)(H,29,30)
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n/an/an/a 8.40n/an/an/an/an/a



Allergan Inc

Curated by ChEMBL


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


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 13n/an/an/an/an/a



Allergan Inc

Curated by ChEMBL


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


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)
BDBM50052414
PNG
(4-(1,1,4,4-tetramethyl-1,2,3,4-tetrahydronaphthale...)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C(=O)Nc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C22H25NO3/c1-21(2)11-12-22(3,4)18-13-15(7-10-17(18)21)19(24)23-16-8-5-14(6-9-16)20(25)26/h5-10,13H,11-12H2,1-4H3,(H,23,24)(H,25,26)
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n/an/an/a 3.82E+3n/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
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