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Compile Data Set for Download or QSAR

Found 142 hits Enz. Inhib. hit(s) with Target = 'Retinoid X receptor beta' AND taxid = 10090   
Target
(Institution)
LigandTarget
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 X receptor beta


(Mus musculus)
BDBM50290187
PNG
((2E,4E)-3-Methyl-5-[(1R,2S)-2-(5,5,8,8-tetramethyl...)
Show SMILES C\C(\C=C\[C@H]1CCC[C@@H]1c1ccc2c(c1)C(C)(C)CCC2(C)C)=C/C(O)=O
Show InChI InChI=1S/C25H34O2/c1-17(15-23(26)27)9-10-18-7-6-8-20(18)19-11-12-21-22(16-19)25(4,5)14-13-24(21,2)3/h9-12,15-16,18,20H,6-8,13-14H2,1-5H3,(H,26,27)/b10-9+,17-15+/t18-,20+/m1/s1
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6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Retinoid X receptor beta


(Mus musculus)
BDBM50290188
PNG
((2E,4E)-3-Methyl-5-[(1S,2R)-1-methyl-2-(5,5,8,8-te...)
Show SMILES C\C(\C=C\[C@]1(C)CCC[C@@H]1c1ccc2c(c1)C(C)(C)CCC2(C)C)=C/C(O)=O
Show InChI InChI=1S/C26H36O2/c1-18(16-23(27)28)11-13-26(6)12-7-8-20(26)19-9-10-21-22(17-19)25(4,5)15-14-24(21,2)3/h9-11,13,16-17,20H,7-8,12,14-15H2,1-6H3,(H,27,28)/b13-11+,18-16+/t20-,26+/m1/s1
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10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Retinoid X receptor beta


(Mus musculus)
BDBM50290192
PNG
(3-Methyl-5-[5-(5,5,8,8-tetramethyl-5,6,7,8-tetrahy...)
Show SMILES C\C(\C=C\[C@]12CC1(CCC2)c1ccc2c(c1)C(C)(C)CCC2(C)C)=C/C(O)=O
Show InChI InChI=1S/C26H34O2/c1-18(15-22(27)28)9-12-25-10-6-11-26(25,17-25)19-7-8-20-21(16-19)24(4,5)14-13-23(20,2)3/h7-9,12,15-16H,6,10-11,13-14,17H2,1-5H3,(H,27,28)/b12-9+,18-15+/t25-,26?/m1/s1
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10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Retinoid X receptor beta


(Mus musculus)
BDBM50290186
PNG
((2E,4E)-3-Methyl-5-[(1R,2R)-1-methyl-2-(5,5,8,8-te...)
Show SMILES C\C(\C=C\[C@@]1(C)CCC[C@@H]1c1ccc2c(c1)C(C)(C)CCC2(C)C)=C/C(O)=O
Show InChI InChI=1S/C26H36O2/c1-18(16-23(27)28)11-13-26(6)12-7-8-20(26)19-9-10-21-22(17-19)25(4,5)15-14-24(21,2)3/h9-11,13,16-17,20H,7-8,12,14-15H2,1-6H3,(H,27,28)/b13-11+,18-16+/t20-,26-/m1/s1
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10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Retinoid X receptor beta


(Mus musculus)
BDBM50290194
PNG
((2E,4E)-3-Methyl-5-[(1S,2S)-2-(5,5,8,8-tetramethyl...)
Show SMILES C\C(\C=C\[C@@H]1CCC[C@@H]1c1ccc2c(c1)C(C)(C)CCC2(C)C)=C/C(O)=O
Show InChI InChI=1S/C25H34O2/c1-17(15-23(26)27)9-10-18-7-6-8-20(18)19-11-12-21-22(16-19)25(4,5)14-13-24(21,2)3/h9-12,15-16,18,20H,6-8,13-14H2,1-5H3,(H,26,27)/b10-9+,17-15+/t18-,20-/m0/s1
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11n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Retinoid X receptor beta


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



TBA

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoid X receptor beta


(Mus musculus)
BDBM50290193
PNG
(3-Methyl-5-[2-(3,5,5,8,8-pentamethyl-5,6,7,8-tetra...)
Show SMILES C\C(\C=C\C1=C(CCC1)c1cc2c(cc1C)C(C)(C)CCC2(C)C)=C/C(O)=O
Show InChI InChI=1S/C26H34O2/c1-17(14-24(27)28)10-11-19-8-7-9-20(19)21-16-23-22(15-18(21)2)25(3,4)12-13-26(23,5)6/h10-11,14-16H,7-9,12-13H2,1-6H3,(H,27,28)/b11-10+,17-14+
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25n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Retinoid X receptor beta


(Mus musculus)
BDBM50290191
PNG
(3-Methyl-5-[2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahy...)
Show SMILES C\C(\C=C\C1=C(CCC1)c1ccc2c(c1)C(C)(C)CCC2(C)C)=C/C(O)=O
Show InChI InChI=1S/C25H32O2/c1-17(15-23(26)27)9-10-18-7-6-8-20(18)19-11-12-21-22(16-19)25(4,5)14-13-24(21,2)3/h9-12,15-16H,6-8,13-14H2,1-5H3,(H,26,27)/b10-9+,17-15+
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36n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Retinoid X receptor beta


(Mus musculus)
BDBM50290190
PNG
((2E,4E)-3-Methyl-5-[(1R,2S)-4-methylene-2-(5,5,8,8...)
Show SMILES C\C(\C=C\[C@H]1CC(=C)C[C@@H]1c1ccc2c(c1)C(C)(C)CCC2(C)C)=C/C(O)=O
Show InChI InChI=1S/C26H34O2/c1-17(15-24(27)28)7-8-19-13-18(2)14-21(19)20-9-10-22-23(16-20)26(5,6)12-11-25(22,3)4/h7-10,15-16,19,21H,2,11-14H2,1,3-6H3,(H,27,28)/b8-7+,17-15+/t19-,21-/m0/s1
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252n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Retinoid X receptor beta


(Mus musculus)
BDBM50290189
PNG
((2E,4E)-3-Methyl-5-[(1S,2S)-4-methylene-2-(5,5,8,8...)
Show SMILES C\C(\C=C\[C@@H]1CC(=C)C[C@@H]1c1ccc2c(c1)C(C)(C)CCC2(C)C)=C/C(O)=O
Show InChI InChI=1S/C26H34O2/c1-17(15-24(27)28)7-8-19-13-18(2)14-21(19)20-9-10-22-23(16-20)26(5,6)12-11-25(22,3)4/h7-10,15-16,19,21H,2,11-14H2,1,3-6H3,(H,27,28)/b8-7+,17-15+/t19-,21+/m1/s1
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556n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Retinoid X receptor beta


(Mus musculus)
BDBM50129720
PNG
((2E,4E,6Z)-7-[3,5-Di-tert-butyl-2-(2,2-difluoro-et...)
Show SMILES C\C(\C=C\C=C(\C)c1cc(cc(c1OCC(F)F)C(C)(C)C)C(C)(C)C)=C/C(O)=O
Show InChI InChI=1S/C25H34F2O3/c1-16(12-22(28)29)10-9-11-17(2)19-13-18(24(3,4)5)14-20(25(6,7)8)23(19)30-15-21(26)27/h9-14,21H,15H2,1-8H3,(H,28,29)/b10-9+,16-12+,17-11-
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PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Binding affinity again retinoic acid receptor beta by [3H]-ATRA displacement.


Citation and Details
More data for this
Ligand-Target Pair
Retinoid X receptor beta


(Mus musculus)
BDBM50141594
PNG
((E)-3-{7-[3,5-Diisopropyl-2-(2,2,2-trifluoro-ethox...)
Show SMILES CC(C)c1cc(C(C)C)c(OCC(F)(F)F)c(c1)-c1cccc2cc(oc12)C(\C)=C\C(O)=O
Show InChI InChI=1S/C26H27F3O4/c1-14(2)18-10-20(15(3)4)25(32-13-26(27,28)29)21(11-18)19-8-6-7-17-12-22(33-24(17)19)16(5)9-23(30)31/h6-12,14-15H,13H2,1-5H3,(H,30,31)/b16-9+
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PubMed
2.70E+3n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Binding affinity again retinoic acid receptor beta by [3H]-ATRA displacement.


Citation and Details
More data for this
Ligand-Target Pair
Retinoid X receptor beta


(Mus musculus)
BDBM50032671
PNG
(6-[1-(3,5,5,8,8-PENTAMETHYL-5,6,7,8-TETRAHYDRONAPH...)
Show SMILES Cc1cc2c(cc1C1(CC1)c1ccc(cn1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H29NO2/c1-15-12-18-19(23(4,5)9-8-22(18,2)3)13-17(15)24(10-11-24)20-7-6-16(14-25-20)21(26)27/h6-7,12-14H,8-11H2,1-5H3,(H,26,27)
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3.52E+3n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Binding affinity again retinoic acid receptor beta by [3H]-ATRA displacement.


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoid X receptor beta


(Mus musculus)
BDBM50141593
PNG
((E)-3-[7-(2-Ethoxy-3,5-diisopropyl-phenyl)-benzo[b...)
Show SMILES CCOc1c(cc(cc1-c1cccc2cc(sc12)C(\C)=C\C(O)=O)C(C)C)C(C)C
Show InChI InChI=1S/C26H30O3S/c1-7-29-25-21(16(4)5)12-19(15(2)3)13-22(25)20-10-8-9-18-14-23(30-26(18)20)17(6)11-24(27)28/h8-16H,7H2,1-6H3,(H,27,28)/b17-11+
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5.74E+3n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Binding affinity again retinoic acid receptor beta by [3H]-ATRA displacement.


Citation and Details
More data for this
Ligand-Target Pair
Retinoid X receptor beta


(Mus musculus)
BDBM50141590
PNG
((E)-3-[4-(2-Ethoxy-3,5-diisopropyl-phenyl)-benzo[b...)
Show SMILES CCOc1c(cc(cc1-c1cccc2sc(cc12)C(\C)=C\C(O)=O)C(C)C)C(C)C
Show InChI InChI=1S/C26H30O3S/c1-7-29-26-20(16(4)5)12-18(15(2)3)13-22(26)19-9-8-10-23-21(19)14-24(30-23)17(6)11-25(27)28/h8-16H,7H2,1-6H3,(H,27,28)/b17-11+
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5.94E+3n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Binding affinity again retinoic acid receptor beta by [3H]-ATRA displacement.


Citation and Details
More data for this
Ligand-Target Pair
Retinoid X receptor beta


(Mus musculus)
BDBM50141605
PNG
((E)-3-[7-(3,5-Diisopropyl-2-propoxy-phenyl)-benzof...)
Show SMILES CCCOc1c(cc(cc1-c1cccc2cc(oc12)C(\C)=C\C(O)=O)C(C)C)C(C)C
Show InChI InChI=1S/C27H32O4/c1-7-11-30-27-22(17(4)5)13-20(16(2)3)14-23(27)21-10-8-9-19-15-24(31-26(19)21)18(6)12-25(28)29/h8-10,12-17H,7,11H2,1-6H3,(H,28,29)/b18-12+
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9.20E+3n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Binding affinity again retinoic acid receptor beta by [3H]-ATRA displacement.


Citation and Details
More data for this
Ligand-Target Pair
Retinoid X receptor beta


(Mus musculus)
BDBM50141603
PNG
((E)-3-{7-[2-(2,2-Difluoro-ethoxy)-3,5-diisopropyl-...)
Show SMILES CC(C)c1cc(C(C)C)c(OCC(F)F)c(c1)-c1cccc2cc(oc12)C(\C)=C\C(O)=O
Show InChI InChI=1S/C26H28F2O4/c1-14(2)18-10-20(15(3)4)26(31-13-23(27)28)21(11-18)19-8-6-7-17-12-22(32-25(17)19)16(5)9-24(29)30/h6-12,14-15,23H,13H2,1-5H3,(H,29,30)/b16-9+
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>1.00E+4n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Binding affinity again retinoic acid receptor beta by [3H]-ATRA displacement.


Citation and Details
More data for this
Ligand-Target Pair
Retinoid X receptor beta


(Mus musculus)
BDBM50141591
PNG
((E)-3-[4-(3,5-Di-tert-butyl-2-heptyloxy-phenyl)-be...)
Show SMILES CCCCCCCOc1c(cc(cc1C(C)(C)C)C(C)(C)C)-c1cccc2sc(cc12)C(\C)=C\C(O)=O
Show InChI InChI=1S/C33H44O3S/c1-9-10-11-12-13-17-36-31-26(19-23(32(3,4)5)20-27(31)33(6,7)8)24-15-14-16-28-25(24)21-29(37-28)22(2)18-30(34)35/h14-16,18-21H,9-13,17H2,1-8H3,(H,34,35)/b22-18+
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>1.00E+4n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Binding affinity again retinoic acid receptor beta by [3H]-ATRA displacement.


Citation and Details
More data for this
Ligand-Target Pair
Retinoid X receptor beta


(Mus musculus)
BDBM50141600
PNG
((Z)-3-{7-[2-(2,2-Difluoro-ethoxy)-3,5-diisopropyl-...)
Show SMILES CC(C)c1cc(C(C)C)c(OCC(F)F)c(c1)-c1cccc2cc(oc12)C(\C)=C(/F)C(O)=O
Show InChI InChI=1S/C26H27F3O4/c1-13(2)17-9-19(14(3)4)25(32-12-22(27)28)20(10-17)18-8-6-7-16-11-21(33-24(16)18)15(5)23(29)26(30)31/h6-11,13-14,22H,12H2,1-5H3,(H,30,31)/b23-15-
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>1.00E+4n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Binding affinity again retinoic acid receptor beta by [3H]-ATRA displacement.


Citation and Details
More data for this
Ligand-Target Pair
Retinoid X receptor beta


(Mus musculus)
BDBM50452047
PNG
(CHEMBL2372524)
Show SMILES C[C@H](NC(=O)[C@H](Cc1ccccc1)NP(O)(O)=O)C(=O)NCC(N)=O
Show InChI InChI=1S/C14H21N4O6P/c1-9(13(20)16-8-12(15)19)17-14(21)11(18-25(22,23)24)7-10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3,(H2,15,19)(H,16,20)(H,17,21)(H3,18,22,23,24)/t9-,11-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Binding affinity again retinoic acid receptor beta by [3H]-ATRA displacement.


Citation and Details
More data for this
Ligand-Target Pair
Retinoid X receptor beta


(Mus musculus)
BDBM50141597
PNG
((E)-3-{4-[3,5-Di-tert-butyl-2-(3,3-difluoro-propox...)
Show SMILES C\C(=C/C(O)=O)c1cc2c(cccc2s1)-c1cc(cc(c1OCCC(F)F)C(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C29H34F2O3S/c1-17(13-26(32)33)24-16-20-19(9-8-10-23(20)35-24)21-14-18(28(2,3)4)15-22(29(5,6)7)27(21)34-12-11-25(30)31/h8-10,13-16,25H,11-12H2,1-7H3,(H,32,33)/b17-13+
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Ligand Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Binding affinity again retinoic acid receptor beta by [3H]-ATRA displacement.


Citation and Details
More data for this
Ligand-Target Pair
Retinoid X receptor beta


(Mus musculus)
BDBM50141592
PNG
((E)-3-[4-(3,5-Di-tert-butyl-2-methyl-phenyl)-benzo...)
Show SMILES C\C(=C/C(O)=O)c1cc2c(cccc2s1)-c1cc(cc(c1C)C(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C27H32O2S/c1-16(12-25(28)29)24-15-21-19(10-9-11-23(21)30-24)20-13-18(26(3,4)5)14-22(17(20)2)27(6,7)8/h9-15H,1-8H3,(H,28,29)/b16-12+
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Ligand Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Binding affinity again retinoic acid receptor beta by [3H]-ATRA displacement.


Citation and Details
More data for this
Ligand-Target Pair
Retinoid X receptor beta


(Mus musculus)
BDBM50141604
PNG
((E)-3-[4-(3,5-Diisopropyl-2-propoxy-phenyl)-benzo[...)
Show SMILES CCCOc1c(cc(cc1-c1cccc2sc(cc12)C(\C)=C\C(O)=O)C(C)C)C(C)C
Show InChI InChI=1S/C27H32O3S/c1-7-11-30-27-21(17(4)5)13-19(16(2)3)14-23(27)20-9-8-10-24-22(20)15-25(31-24)18(6)12-26(28)29/h8-10,12-17H,7,11H2,1-6H3,(H,28,29)/b18-12+
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Ligand Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Binding affinity again retinoic acid receptor beta by [3H]-ATRA displacement.


Citation and Details
More data for this
Ligand-Target Pair
Retinoid X receptor beta


(Mus musculus)
BDBM50141602
PNG
((E)-3-{7-[2-(3-Fluoro-propoxy)-3,5-diisopropyl-phe...)
Show SMILES CC(C)c1cc(C(C)C)c(OCCCF)c(c1)-c1cccc2cc(oc12)C(\C)=C\C(O)=O
Show InChI InChI=1S/C27H31FO4/c1-16(2)20-13-22(17(3)4)27(31-11-7-10-28)23(14-20)21-9-6-8-19-15-24(32-26(19)21)18(5)12-25(29)30/h6,8-9,12-17H,7,10-11H2,1-5H3,(H,29,30)/b18-12+
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Ligand Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Binding affinity again retinoic acid receptor beta by [3H]-ATRA displacement.


Citation and Details
More data for this
Ligand-Target Pair
Retinoid X receptor beta


(Mus musculus)
BDBM50141596
PNG
((E)-3-{4-[3,5-Di-tert-butyl-2-(2,2-difluoro-ethoxy...)
Show SMILES C\C(=C/C(O)=O)c1cc2c(cccc2s1)-c1cc(cc(c1OCC(F)F)C(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C28H32F2O3S/c1-16(11-25(31)32)23-14-19-18(9-8-10-22(19)34-23)20-12-17(27(2,3)4)13-21(28(5,6)7)26(20)33-15-24(29)30/h8-14,24H,15H2,1-7H3,(H,31,32)/b16-11+
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Ligand Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Binding affinity again retinoic acid receptor beta by [3H]-ATRA displacement.


Citation and Details
More data for this
Ligand-Target Pair
Retinoid X receptor beta


(Mus musculus)
BDBM50141589
PNG
((Z)-3-[7-(2-Butoxy-3,5-diisopropyl-phenyl)-benzofu...)
Show SMILES CCCCOc1c(cc(cc1-c1cccc2cc(oc12)C(\C)=C(/F)C(O)=O)C(C)C)C(C)C
Show InChI InChI=1S/C28H33FO4/c1-7-8-12-32-27-22(17(4)5)13-20(16(2)3)14-23(27)21-11-9-10-19-15-24(33-26(19)21)18(6)25(29)28(30)31/h9-11,13-17H,7-8,12H2,1-6H3,(H,30,31)/b25-18-
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Ligand Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Binding affinity again retinoic acid receptor beta by [3H]-ATRA displacement.


Citation and Details
More data for this
Ligand-Target Pair
Retinoid X receptor beta


(Mus musculus)
BDBM50141601
PNG
((E)-3-[7-(2-Ethoxy-3,5-diisopropyl-phenyl)-benzofu...)
Show SMILES CCOc1c(cc(cc1-c1cccc2cc(oc12)C(\C)=C\C(O)=O)C(C)C)C(C)C
Show InChI InChI=1S/C26H30O4/c1-7-29-26-21(16(4)5)12-19(15(2)3)13-22(26)20-10-8-9-18-14-23(30-25(18)20)17(6)11-24(27)28/h8-16H,7H2,1-6H3,(H,27,28)/b17-11+
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Ligand Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Binding affinity again retinoic acid receptor beta by [3H]-ATRA displacement.


Citation and Details
More data for this
Ligand-Target Pair
Retinoid X receptor beta


(Mus musculus)
BDBM50141595
PNG
((E)-3-{4-[3,5-Di-tert-butyl-2-(3-fluoro-propoxy)-p...)
Show SMILES C\C(=C/C(O)=O)c1cc2c(cccc2s1)-c1cc(cc(c1OCCCF)C(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C29H35FO3S/c1-18(14-26(31)32)25-17-21-20(10-8-11-24(21)34-25)22-15-19(28(2,3)4)16-23(29(5,6)7)27(22)33-13-9-12-30/h8,10-11,14-17H,9,12-13H2,1-7H3,(H,31,32)/b18-14+
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Ligand Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Binding affinity again retinoic acid receptor beta by [3H]-ATRA displacement.


Citation and Details
More data for this
Ligand-Target Pair
Retinoid X receptor beta


(Mus musculus)
BDBM50141599
PNG
((E)-3-{4-[3,5-Di-tert-butyl-2-(2,2,2-trifluoro-eth...)
Show SMILES C\C(=C/C(O)=O)c1cc2c(cccc2s1)-c1cc(cc(c1OCC(F)(F)F)C(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C28H31F3O3S/c1-16(11-24(32)33)23-14-19-18(9-8-10-22(19)35-23)20-12-17(26(2,3)4)13-21(27(5,6)7)25(20)34-15-28(29,30)31/h8-14H,15H2,1-7H3,(H,32,33)/b16-11+
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Ligand Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Binding affinity again retinoic acid receptor beta by [3H]-ATRA displacement.


Citation and Details
More data for this
Ligand-Target Pair
Retinoid X receptor beta


(Mus musculus)
BDBM50031458
PNG
((2Z,5E)-7-Methyl-3-[(E)-2-(2,6,6-trimethyl-cyclohe...)
Show SMILES CCC(C)\C=C\C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C(O)=O
Show InChI InChI=1S/C21H32O2/c1-6-16(2)9-7-11-18(15-20(22)23)12-13-19-17(3)10-8-14-21(19,4)5/h7,9,12-13,15-16H,6,8,10-11,14H2,1-5H3,(H,22,23)/b9-7+,13-12+,18-15-
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n/an/a 117n/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
Inhibition of binding to murine Retinoid X receptor RXR beta


J Med Chem 38: 2302-10 (1995)

More data for this
Ligand-Target Pair
Retinoid X receptor beta


(Mus musculus)
BDBM50031457
PNG
((2Z,5E)-3-{(E)-3-[3-Ethyl-2-isopropyl-cyclohex-2-e...)
Show SMILES CCC1=C(C(C)C)\C(CCC1)=C\C(\C)=C\C(\C\C(C)=C\C)=C/C(O)=O
Show InChI InChI=1S/C23H34O2/c1-7-17(5)12-19(15-22(24)25)13-18(6)14-21-11-9-10-20(8-2)23(21)16(3)4/h7,13-16H,8-12H2,1-6H3,(H,24,25)/b17-7+,18-13+,19-15-,21-14+
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n/an/a 640n/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
Inhibition of binding to murine Retinoid X receptor RXR beta


J Med Chem 38: 2302-10 (1995)

More data for this
Ligand-Target Pair
Retinoid X receptor beta


(Mus musculus)
BDBM50031459
PNG
((2Z,4E6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcycloh...)
Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C\C(O)=O
Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14-
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
Inhibition of binding to murine Retinoid X receptor RXR beta


J Med Chem 38: 2302-10 (1995)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoid X receptor beta


(Mus musculus)
BDBM31883
PNG
(9-cis-retinoic acid (9cRA) | ALL-TRANS-RETINOIC AC...)
Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O
Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
Inhibition of binding to murine Retinoid X receptor RXR beta


J Med Chem 38: 2302-10 (1995)

More data for this
Ligand-Target Pair
Retinoid X receptor beta


(Mus musculus)
BDBM50040010
PNG
(4-(3-Ethyl-5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-...)
Show SMILES CCc1cc2c(cc1C(=O)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H28O3/c1-6-15-13-19-20(24(4,5)12-11-23(19,2)3)14-18(15)21(25)16-7-9-17(10-8-16)22(26)27/h7-10,13-14H,6,11-12H2,1-5H3,(H,26,27)
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n/an/an/a 232n/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-9-cis-RA binding to baculovirus expressed retinoid receptor RXR beta


J Med Chem 37: 2930-41 (1994)

More data for this
Ligand-Target Pair
Retinoid X receptor beta


(Mus musculus)
BDBM50040011
PNG
(4-(3-Bromo-5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-...)
Show SMILES CC1(C)CCC(C)(C)c2cc(C(=O)c3ccc(cc3)C(O)=O)c(Br)cc12
Show InChI InChI=1S/C22H23BrO3/c1-21(2)9-10-22(3,4)17-12-18(23)15(11-16(17)21)19(24)13-5-7-14(8-6-13)20(25)26/h5-8,11-12H,9-10H2,1-4H3,(H,25,26)
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n/an/an/a 150n/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-9-cis-RA binding to baculovirus expressed retinoid receptor RXR beta


J Med Chem 37: 2930-41 (1994)

More data for this
Ligand-Target Pair
Retinoid X receptor beta


(Mus musculus)
BDBM50040023
PNG
(4-(3-Fluoro-5,5,8,8-tetramethyl-5,6,7,8-tetrahydro...)
Show SMILES CC1(C)CCC(C)(C)c2cc(C(=O)c3ccc(cc3)C(O)=O)c(F)cc12
Show InChI InChI=1S/C22H23FO3/c1-21(2)9-10-22(3,4)17-12-18(23)15(11-16(17)21)19(24)13-5-7-14(8-6-13)20(25)26/h5-8,11-12H,9-10H2,1-4H3,(H,25,26)
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n/an/an/a 902n/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-9-cis-RA binding to baculovirus expressed retinoid receptor RXR beta


J Med Chem 37: 2930-41 (1994)

More data for this
Ligand-Target Pair
Retinoid X receptor beta


(Mus musculus)
BDBM50040020
PNG
(4-[1-(5,5,8,8-Tetramethyl-3-propyl-5,6,7,8-tetrahy...)
Show SMILES CCCc1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C26H32O2/c1-7-8-20-15-22-23(26(5,6)14-13-25(22,3)4)16-21(20)17(2)18-9-11-19(12-10-18)24(27)28/h9-12,15-16H,2,7-8,13-14H2,1,3-6H3,(H,27,28)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Effective concentration against retinoid receptor isoform (RXR beta) expressed in CV-1 cells


J Med Chem 37: 2930-41 (1994)

More data for this
Ligand-Target Pair
Retinoid X receptor beta


(Mus musculus)
BDBM50040024
PNG
(4-[1-(3-Hydroxy-5,5,8,8-tetramethyl-5,6,7,8-tetrah...)
Show SMILES CC1(C)CCC(C)(C)c2cc(C(=C)c3ccc(cc3)C(O)=O)c(O)cc12
Show InChI InChI=1S/C23H26O3/c1-14(15-6-8-16(9-7-15)21(25)26)17-12-18-19(13-20(17)24)23(4,5)11-10-22(18,2)3/h6-9,12-13,24H,1,10-11H2,2-5H3,(H,25,26)
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n/an/an/an/a 202n/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Effective concentration against retinoid receptor isoform (RXR beta) expressed in CV-1 cells


J Med Chem 37: 2930-41 (1994)

More data for this
Ligand-Target Pair
Retinoid X receptor beta


(Mus musculus)
BDBM50040013
PNG
(4-(3-Chloro-5,5,8,8-tetramethyl-5,6,7,8-tetrahydro...)
Show SMILES CC1(C)CCC(C)(C)c2cc(C(=O)c3ccc(cc3)C(O)=O)c(Cl)cc12
Show InChI InChI=1S/C22H23ClO3/c1-21(2)9-10-22(3,4)17-12-18(23)15(11-16(17)21)19(24)13-5-7-14(8-6-13)20(25)26/h5-8,11-12H,9-10H2,1-4H3,(H,25,26)
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n/an/an/a 110n/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-9-cis-RA binding to baculovirus expressed retinoid receptor RXR beta


J Med Chem 37: 2930-41 (1994)

More data for this
Ligand-Target Pair
Retinoid X receptor beta


(Mus musculus)
BDBM50033066
PNG
(4-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-naphthal...)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C(=O)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C22H24O3/c1-21(2)11-12-22(3,4)18-13-16(9-10-17(18)21)19(23)14-5-7-15(8-6-14)20(24)25/h5-10,13H,11-12H2,1-4H3,(H,24,25)
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n/an/an/an/a 937n/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Effective concentration against retinoid receptor isoform (RXR beta) expressed in CV-1 cells


J Med Chem 37: 2930-41 (1994)

More data for this
Ligand-Target Pair
Retinoid X receptor beta


(Mus musculus)
BDBM50040018
PNG
(4-(3-Isopropyl-5,5,8,8-tetramethyl-5,6,7,8-tetrahy...)
Show SMILES CC(C)c1cc2c(cc1C(=O)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C25H30O3/c1-15(2)18-13-20-21(25(5,6)12-11-24(20,3)4)14-19(18)22(26)16-7-9-17(10-8-16)23(27)28/h7-10,13-15H,11-12H2,1-6H3,(H,27,28)
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n/an/an/an/a 313n/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Effective concentration against retinoid receptor isoform (RXR beta) expressed in CV-1 cells


J Med Chem 37: 2930-41 (1994)

More data for this
Ligand-Target Pair
Retinoid X receptor beta


(Mus musculus)
BDBM50040019
PNG
(4-(5,5,8,8-Tetramethyl-3-propyl-5,6,7,8-tetrahydro...)
Show SMILES CCCc1cc2c(cc1C(=O)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C25H30O3/c1-6-7-18-14-20-21(25(4,5)13-12-24(20,2)3)15-19(18)22(26)16-8-10-17(11-9-16)23(27)28/h8-11,14-15H,6-7,12-13H2,1-5H3,(H,27,28)
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n/an/an/a 371n/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-9-cis-RA binding to baculovirus expressed retinoid receptor RXR beta


J Med Chem 37: 2930-41 (1994)

More data for this
Ligand-Target Pair
Retinoid X receptor beta


(Mus musculus)
BDBM50032667
PNG
(4-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES Cc1cc2c(cc1C(=O)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C23H26O3/c1-14-12-18-19(23(4,5)11-10-22(18,2)3)13-17(14)20(24)15-6-8-16(9-7-15)21(25)26/h6-9,12-13H,10-11H2,1-5H3,(H,25,26)
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n/an/an/a 232n/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-9-cis-RA binding to baculovirus expressed retinoid receptor RXR beta


J Med Chem 37: 2930-41 (1994)

More data for this
Ligand-Target Pair
Retinoid X receptor beta


(Mus musculus)
BDBM50040017
PNG
(4-[1-(3-Ethyl-5,5,8,8-tetramethyl-5,6,7,8-tetrahyd...)
Show SMILES CCc1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C25H30O2/c1-7-17-14-21-22(25(5,6)13-12-24(21,3)4)15-20(17)16(2)18-8-10-19(11-9-18)23(26)27/h8-11,14-15H,2,7,12-13H2,1,3-6H3,(H,26,27)
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n/an/an/a 44n/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-9-cis-RA binding to baculovirus expressed retinoid receptor RXR beta


J Med Chem 37: 2930-41 (1994)

More data for this
Ligand-Target Pair
Retinoid X receptor beta


(Mus musculus)
BDBM50040021
PNG
(4-[1-(3-Isopropyl-5,5,8,8-tetramethyl-5,6,7,8-tetr...)
Show SMILES CC(C)c1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C26H32O2/c1-16(2)20-14-22-23(26(6,7)13-12-25(22,4)5)15-21(20)17(3)18-8-10-19(11-9-18)24(27)28/h8-11,14-16H,3,12-13H2,1-2,4-7H3,(H,27,28)
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n/an/an/a 75n/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-9-cis-RA binding to baculovirus expressed retinoid receptor RXR beta


J Med Chem 37: 2930-41 (1994)

More data for this
Ligand-Target Pair
Retinoid X receptor beta


(Mus musculus)
BDBM50040014
PNG
(4-[1-(3-Fluoro-5,5,8,8-tetramethyl-5,6,7,8-tetrahy...)
Show SMILES CC1(C)CCC(C)(C)c2cc(C(=C)c3ccc(cc3)C(O)=O)c(F)cc12
Show InChI InChI=1S/C23H25FO2/c1-14(15-6-8-16(9-7-15)21(25)26)17-12-18-19(13-20(17)24)23(4,5)11-10-22(18,2)3/h6-9,12-13H,1,10-11H2,2-5H3,(H,25,26)
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n/an/an/an/a 189n/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Effective concentration against retinoid receptor isoform (RXR beta) expressed in CV-1 cells


J Med Chem 37: 2930-41 (1994)

More data for this
Ligand-Target Pair
Retinoid X receptor beta


(Mus musculus)
BDBM50040025
PNG
(4-(3-Methoxy-5,5,8,8-tetramethyl-5,6,7,8-tetrahydr...)
Show SMILES COc1cc2c(cc1C(=O)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C23H26O4/c1-22(2)10-11-23(3,4)18-13-19(27-5)16(12-17(18)22)20(24)14-6-8-15(9-7-14)21(25)26/h6-9,12-13H,10-11H2,1-5H3,(H,25,26)
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n/an/an/a>1.00E+3n/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-9-cis-RA binding to baculovirus expressed retinoid receptor RXR beta


J Med Chem 37: 2930-41 (1994)

More data for this
Ligand-Target Pair
Retinoid X receptor beta


(Mus musculus)
BDBM50040022
PNG
(4-(3-Hydroxy-5,5,8,8-tetramethyl-5,6,7,8-tetrahydr...)
Show SMILES CC1(C)CCC(C)(C)c2cc(C(=O)c3ccc(cc3)C(O)=O)c(O)cc12
Show InChI InChI=1S/C22H24O4/c1-21(2)9-10-22(3,4)17-12-18(23)15(11-16(17)21)19(24)13-5-7-14(8-6-13)20(25)26/h5-8,11-12,23H,9-10H2,1-4H3,(H,25,26)
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n/an/an/a>1.00E+3n/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-9-cis-RA binding to baculovirus expressed retinoid receptor RXR beta


J Med Chem 37: 2930-41 (1994)

More data for this
Ligand-Target Pair
Retinoid X receptor beta


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



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Effective concentration against retinoid receptor isoform (RXR beta) expressed in CV-1 cells


J Med Chem 37: 2930-41 (1994)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoid X receptor beta


(Mus musculus)
BDBM50033079
PNG
(4-[1-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-napht...)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C(=C)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C23H26O2/c1-15(16-6-8-17(9-7-16)21(24)25)18-10-11-19-20(14-18)23(4,5)13-12-22(19,2)3/h6-11,14H,1,12-13H2,2-5H3,(H,24,25)
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n/an/an/an/a 486n/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Effective concentration against retinoid receptor isoform (RXR beta) expressed in CV-1 cells


J Med Chem 37: 2930-41 (1994)

More data for this
Ligand-Target Pair
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