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Compile Data Set for Download or QSAR

Found 279 hits with Last Name = 'd''arrigo' and Initial = 'j'   
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 RXR-beta


(Rattus norvegicus)
BDBM50133119
PNG
(5-{2-[3,5-Diisopropyl-2-(2,2,2-trifluoro-ethoxy)-p...)
Show SMILES CC(C)c1cc(C(C)C)c(OCC(F)(F)F)c(c1)C1=C(CCC1)\C=C\C(\C)=C\C(O)=O |t:19|
Show InChI InChI=1S/C25H31F3O3/c1-15(2)19-12-21(16(3)4)24(31-14-25(26,27)28)22(13-19)20-8-6-7-18(20)10-9-17(5)11-23(29)30/h9-13,15-16H,6-8,14H2,1-5H3,(H,29,30)/b10-9+,17-11+
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0.900n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for Retinoic acid receptor RXR-beta was determined by competing with 3[H]-9-cis-RA


J Med Chem 46: 4087-103 (2003)


Article DOI: 10.1021/jm020401k
BindingDB Entry DOI: 10.7270/Q2VM4BNR
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(RAT)
BDBM50133128
PNG
(5-{2-[2-(2,2-Difluoro-ethoxy)-3,5-diisopropyl-phen...)
Show SMILES CC(C)c1cc(C(C)C)c(OCC(F)F)c(c1)C1=C(CCC1)\C=C\C(\C)=C\C(O)=O |t:18|
Show InChI InChI=1S/C25H32F2O3/c1-15(2)19-12-21(16(3)4)25(30-14-23(26)27)22(13-19)20-8-6-7-18(20)10-9-17(5)11-24(28)29/h9-13,15-16,23H,6-8,14H2,1-5H3,(H,28,29)/b10-9+,17-11+
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0.900n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against Rhizopus chinensis pepsin


J Med Chem 46: 4087-103 (2003)


Article DOI: 10.1021/jm020401k
BindingDB Entry DOI: 10.7270/Q2VM4BNR
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(RAT)
BDBM50133119
PNG
(5-{2-[3,5-Diisopropyl-2-(2,2,2-trifluoro-ethoxy)-p...)
Show SMILES CC(C)c1cc(C(C)C)c(OCC(F)(F)F)c(c1)C1=C(CCC1)\C=C\C(\C)=C\C(O)=O |t:19|
Show InChI InChI=1S/C25H31F3O3/c1-15(2)19-12-21(16(3)4)24(31-14-25(26,27)28)22(13-19)20-8-6-7-18(20)10-9-17(5)11-23(29)30/h9-13,15-16H,6-8,14H2,1-5H3,(H,29,30)/b10-9+,17-11+
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1n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for Retinoic acid receptor RXR-alpha was determined by competing with 3[H]-9-cis-RA


J Med Chem 46: 4087-103 (2003)


Article DOI: 10.1021/jm020401k
BindingDB Entry DOI: 10.7270/Q2VM4BNR
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-beta


(Rattus norvegicus)
BDBM50133118
PNG
(5-{3-[2-(2,2-Difluoro-ethoxy)-3,5-diisopropyl-phen...)
Show SMILES CC(C)c1cc(C(C)C)c(OCC(F)F)c(c1)-c1ccsc1\C=C\C(\C)=C\C(O)=O
Show InChI InChI=1S/C24H28F2O3S/c1-14(2)17-11-19(15(3)4)24(29-13-22(25)26)20(12-17)18-8-9-30-21(18)7-6-16(5)10-23(27)28/h6-12,14-15,22H,13H2,1-5H3,(H,27,28)/b7-6+,16-10+
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1.60n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for Retinoic acid receptor RXR-beta was determined by competing with 3[H]-9-cis-RA


J Med Chem 46: 4087-103 (2003)


Article DOI: 10.1021/jm020401k
BindingDB Entry DOI: 10.7270/Q2VM4BNR
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(RAT)
BDBM50133116
PNG
((2E,4E)-5-{3-[3,5-Di-tert-butyl-2-(3,3-difluoro-pr...)
Show SMILES C\C(\C=C\c1sccc1-c1cc(cc(c1OCCC(F)F)C(C)(C)C)C(C)(C)C)=C/C(O)=O
Show InChI InChI=1S/C27H34F2O3S/c1-17(14-24(30)31)8-9-22-19(11-13-33-22)20-15-18(26(2,3)4)16-21(27(5,6)7)25(20)32-12-10-23(28)29/h8-9,11,13-16,23H,10,12H2,1-7H3,(H,30,31)/b9-8+,17-14+
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1.90n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro transcriptional activation in CV-1 cells expressing RXR-alpha


J Med Chem 46: 4087-103 (2003)


Article DOI: 10.1021/jm020401k
BindingDB Entry DOI: 10.7270/Q2VM4BNR
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(RAT)
BDBM50133114
PNG
(5-{2-[2-(3-Fluoro-propoxy)-3,5-diisopropyl-phenyl]...)
Show SMILES CC(C)c1cc(C(C)C)c(OCCCF)c(c1)C1=C(CCC1)\C=C\C(\C)=C\C(O)=O |t:18|
Show InChI InChI=1S/C26H35FO3/c1-17(2)21-15-23(18(3)4)26(30-13-7-12-27)24(16-21)22-9-6-8-20(22)11-10-19(5)14-25(28)29/h10-11,14-18H,6-9,12-13H2,1-5H3,(H,28,29)/b11-10+,19-14+
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1.90n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for Retinoic acid receptor RXR-alpha was determined by competing with 3[H]-9-cis-RA


J Med Chem 46: 4087-103 (2003)


Article DOI: 10.1021/jm020401k
BindingDB Entry DOI: 10.7270/Q2VM4BNR
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-gamma


(Rattus norvegicus)
BDBM50133128
PNG
(5-{2-[2-(2,2-Difluoro-ethoxy)-3,5-diisopropyl-phen...)
Show SMILES CC(C)c1cc(C(C)C)c(OCC(F)F)c(c1)C1=C(CCC1)\C=C\C(\C)=C\C(O)=O |t:18|
Show InChI InChI=1S/C25H32F2O3/c1-15(2)19-12-21(16(3)4)25(30-14-23(26)27)22(13-19)20-8-6-7-18(20)10-9-17(5)11-24(28)29/h9-13,15-16,23H,6-8,14H2,1-5H3,(H,28,29)/b10-9+,17-11+
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1.90n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for Retinoic acid receptor RXR-gamma was determined by competing with 3[H]-9-cis-RA


J Med Chem 46: 4087-103 (2003)


Article DOI: 10.1021/jm020401k
BindingDB Entry DOI: 10.7270/Q2VM4BNR
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(RAT)
BDBM50133126
PNG
(5-[2-(3,5-Diisopropyl-2-propoxy-phenyl)-cyclopent-...)
Show SMILES CCCOc1c(cc(cc1C1=C(CCC1)\C=C\C(\C)=C\C(O)=O)C(C)C)C(C)C |t:11|
Show InChI InChI=1S/C26H36O3/c1-7-13-29-26-23(18(4)5)15-21(17(2)3)16-24(26)22-10-8-9-20(22)12-11-19(6)14-25(27)28/h11-12,14-18H,7-10,13H2,1-6H3,(H,27,28)/b12-11+,19-14+
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1.90n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for Retinoic acid receptor RXR-alpha was determined by competing with 3[H]-9-cis-RA


J Med Chem 46: 4087-103 (2003)


Article DOI: 10.1021/jm020401k
BindingDB Entry DOI: 10.7270/Q2VM4BNR
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(RAT)
BDBM50133118
PNG
(5-{3-[2-(2,2-Difluoro-ethoxy)-3,5-diisopropyl-phen...)
Show SMILES CC(C)c1cc(C(C)C)c(OCC(F)F)c(c1)-c1ccsc1\C=C\C(\C)=C\C(O)=O
Show InChI InChI=1S/C24H28F2O3S/c1-14(2)17-11-19(15(3)4)24(29-13-22(25)26)20(12-17)18-8-9-30-21(18)7-6-16(5)10-23(27)28/h6-12,14-15,22H,13H2,1-5H3,(H,27,28)/b7-6+,16-10+
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2.20n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for Retinoic acid receptor RXR-alpha was determined by competing with 3[H]-9-cis-RA


J Med Chem 46: 4087-103 (2003)


Article DOI: 10.1021/jm020401k
BindingDB Entry DOI: 10.7270/Q2VM4BNR
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-gamma


(Rattus norvegicus)
BDBM50133118
PNG
(5-{3-[2-(2,2-Difluoro-ethoxy)-3,5-diisopropyl-phen...)
Show SMILES CC(C)c1cc(C(C)C)c(OCC(F)F)c(c1)-c1ccsc1\C=C\C(\C)=C\C(O)=O
Show InChI InChI=1S/C24H28F2O3S/c1-14(2)17-11-19(15(3)4)24(29-13-22(25)26)20(12-17)18-8-9-30-21(18)7-6-16(5)10-23(27)28/h6-12,14-15,22H,13H2,1-5H3,(H,27,28)/b7-6+,16-10+
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2.5n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for Retinoic acid receptor RXR-gamma was determined by competing with 3[H]-9-cis-RA


J Med Chem 46: 4087-103 (2003)


Article DOI: 10.1021/jm020401k
BindingDB Entry DOI: 10.7270/Q2VM4BNR
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-beta


(Rattus norvegicus)
BDBM50133128
PNG
(5-{2-[2-(2,2-Difluoro-ethoxy)-3,5-diisopropyl-phen...)
Show SMILES CC(C)c1cc(C(C)C)c(OCC(F)F)c(c1)C1=C(CCC1)\C=C\C(\C)=C\C(O)=O |t:18|
Show InChI InChI=1S/C25H32F2O3/c1-15(2)19-12-21(16(3)4)25(30-14-23(26)27)22(13-19)20-8-6-7-18(20)10-9-17(5)11-24(28)29/h9-13,15-16,23H,6-8,14H2,1-5H3,(H,28,29)/b10-9+,17-11+
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2.5n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for Retinoic acid receptor RXR-beta was determined by competing with 3[H]-9-cis-RA


J Med Chem 46: 4087-103 (2003)


Article DOI: 10.1021/jm020401k
BindingDB Entry DOI: 10.7270/Q2VM4BNR
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-beta


(Rattus norvegicus)
BDBM50133127
PNG
(5-{3-[2-(3-Fluoro-propoxy)-3,5-diisopropyl-phenyl]...)
Show SMILES CC(C)c1cc(C(C)C)c(OCCCF)c(c1)-c1ccsc1\C=C\C(\C)=C\C(O)=O
Show InChI InChI=1S/C25H31FO3S/c1-16(2)19-14-21(17(3)4)25(29-11-6-10-26)22(15-19)20-9-12-30-23(20)8-7-18(5)13-24(27)28/h7-9,12-17H,6,10-11H2,1-5H3,(H,27,28)/b8-7+,18-13+
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2.90n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for Retinoic acid receptor RXR-beta was determined by competing with 3[H]-9-cis-RA


J Med Chem 46: 4087-103 (2003)


Article DOI: 10.1021/jm020401k
BindingDB Entry DOI: 10.7270/Q2VM4BNR
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


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



Ligand Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Binding affinity against Retinoic acid receptor RXR-alpha by [3H]-9-cis-RA displacement.


Bioorg Med Chem Lett 14: 1593-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.089
BindingDB Entry DOI: 10.7270/Q2B857JF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoic acid receptor RXR-alpha


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



Ligand Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Antagonist activity for Retinoic X receptor alpha in CV1 cells


Bioorg Med Chem Lett 14: 1593-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.089
BindingDB Entry DOI: 10.7270/Q2B857JF
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


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



Ligand Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Binding affinity against Retinoic acid receptor RXR-alpha by [3H]-9-cis-RA displacement.


Bioorg Med Chem Lett 14: 1593-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.089
BindingDB Entry DOI: 10.7270/Q2B857JF
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(RAT)
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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3n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for Retinoic acid receptor RXR-alpha was determined by competing with 3[H]-9-cis-RA


J Med Chem 46: 4087-103 (2003)


Article DOI: 10.1021/jm020401k
BindingDB Entry DOI: 10.7270/Q2VM4BNR
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(RAT)
BDBM50133121
PNG
(5-{3-[3-tert-Butyl-2-(2,2-difluoro-ethoxy)-5-ethyl...)
Show SMILES CCc1cc(-c2ccsc2\C=C\C(\C)=C\C(O)=O)c(OCC(F)F)c(c1)C(C)(C)C
Show InChI InChI=1S/C24H28F2O3S/c1-6-16-12-18(23(29-14-21(25)26)19(13-16)24(3,4)5)17-9-10-30-20(17)8-7-15(2)11-22(27)28/h7-13,21H,6,14H2,1-5H3,(H,27,28)/b8-7+,15-11+
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3.20n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for Retinoic acid receptor RXR-alpha was determined by competing with 3[H]-9-cis-RA


J Med Chem 46: 4087-103 (2003)


Article DOI: 10.1021/jm020401k
BindingDB Entry DOI: 10.7270/Q2VM4BNR
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(RAT)
BDBM50133127
PNG
(5-{3-[2-(3-Fluoro-propoxy)-3,5-diisopropyl-phenyl]...)
Show SMILES CC(C)c1cc(C(C)C)c(OCCCF)c(c1)-c1ccsc1\C=C\C(\C)=C\C(O)=O
Show InChI InChI=1S/C25H31FO3S/c1-16(2)19-14-21(17(3)4)25(29-11-6-10-26)22(15-19)20-9-12-30-23(20)8-7-18(5)13-24(27)28/h7-9,12-17H,6,10-11H2,1-5H3,(H,27,28)/b8-7+,18-13+
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3.40n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against R. chinensis pepsin


J Med Chem 46: 4087-103 (2003)


Article DOI: 10.1021/jm020401k
BindingDB Entry DOI: 10.7270/Q2VM4BNR
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-beta


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



Ligand Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]-9-cis-RA from Retinoic X receptor beta


Bioorg Med Chem Lett 14: 1593-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.089
BindingDB Entry DOI: 10.7270/Q2B857JF
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-gamma


(Rattus norvegicus)
BDBM50133126
PNG
(5-[2-(3,5-Diisopropyl-2-propoxy-phenyl)-cyclopent-...)
Show SMILES CCCOc1c(cc(cc1C1=C(CCC1)\C=C\C(\C)=C\C(O)=O)C(C)C)C(C)C |t:11|
Show InChI InChI=1S/C26H36O3/c1-7-13-29-26-23(18(4)5)15-21(17(2)3)16-24(26)22-10-8-9-20(22)12-11-19(6)14-25(27)28/h11-12,14-18H,7-10,13H2,1-6H3,(H,27,28)/b12-11+,19-14+
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4.90n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for Retinoic acid receptor RXR-gamma was determined by competing with 3[H]-9-cis-RA


J Med Chem 46: 4087-103 (2003)


Article DOI: 10.1021/jm020401k
BindingDB Entry DOI: 10.7270/Q2VM4BNR
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-gamma


(Rattus norvegicus)
BDBM50133123
PNG
(5-{3-[3-tert-Butyl-5-ethyl-2-(3-fluoro-propoxy)-ph...)
Show SMILES CCc1cc(-c2ccsc2\C=C\C(\C)=C\C(O)=O)c(OCCCF)c(c1)C(C)(C)C
Show InChI InChI=1S/C25H31FO3S/c1-6-18-15-20(24(29-12-7-11-26)21(16-18)25(3,4)5)19-10-13-30-22(19)9-8-17(2)14-23(27)28/h8-10,13-16H,6-7,11-12H2,1-5H3,(H,27,28)/b9-8+,17-14+
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4.90n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for Retinoic acid receptor RXR-gamma was determined by competing with 3[H]-9-cis-RA


J Med Chem 46: 4087-103 (2003)


Article DOI: 10.1021/jm020401k
BindingDB Entry DOI: 10.7270/Q2VM4BNR
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


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



Ligand Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Binding affinity against Retinoic acid receptor RXR-alpha by [3H]-9-cis-RA displacement.


Bioorg Med Chem Lett 14: 1593-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.089
BindingDB Entry DOI: 10.7270/Q2B857JF
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-beta


(Rattus norvegicus)
BDBM50133121
PNG
(5-{3-[3-tert-Butyl-2-(2,2-difluoro-ethoxy)-5-ethyl...)
Show SMILES CCc1cc(-c2ccsc2\C=C\C(\C)=C\C(O)=O)c(OCC(F)F)c(c1)C(C)(C)C
Show InChI InChI=1S/C24H28F2O3S/c1-6-16-12-18(23(29-14-21(25)26)19(13-16)24(3,4)5)17-9-10-30-20(17)8-7-15(2)11-22(27)28/h7-13,21H,6,14H2,1-5H3,(H,27,28)/b8-7+,15-11+
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5.20n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for Retinoic acid receptor RXR-beta was determined by competing with 3[H]-9-cis-RA


J Med Chem 46: 4087-103 (2003)


Article DOI: 10.1021/jm020401k
BindingDB Entry DOI: 10.7270/Q2VM4BNR
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-beta


(Rattus norvegicus)
BDBM50133116
PNG
((2E,4E)-5-{3-[3,5-Di-tert-butyl-2-(3,3-difluoro-pr...)
Show SMILES C\C(\C=C\c1sccc1-c1cc(cc(c1OCCC(F)F)C(C)(C)C)C(C)(C)C)=C/C(O)=O
Show InChI InChI=1S/C27H34F2O3S/c1-17(14-24(30)31)8-9-22-19(11-13-33-22)20-15-18(26(2,3)4)16-21(27(5,6)7)25(20)32-12-10-23(28)29/h8-9,11,13-16,23H,10,12H2,1-7H3,(H,30,31)/b9-8+,17-14+
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5.30n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for Retinoic acid receptor RXR-beta was determined by competing with 3[H]-9-cis-RA


J Med Chem 46: 4087-103 (2003)


Article DOI: 10.1021/jm020401k
BindingDB Entry DOI: 10.7270/Q2VM4BNR
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-beta


(Rattus norvegicus)
BDBM50133114
PNG
(5-{2-[2-(3-Fluoro-propoxy)-3,5-diisopropyl-phenyl]...)
Show SMILES CC(C)c1cc(C(C)C)c(OCCCF)c(c1)C1=C(CCC1)\C=C\C(\C)=C\C(O)=O |t:18|
Show InChI InChI=1S/C26H35FO3/c1-17(2)21-15-23(18(3)4)26(30-13-7-12-27)24(16-21)22-9-6-8-20(22)11-10-19(5)14-25(28)29/h10-11,14-18H,6-9,12-13H2,1-5H3,(H,28,29)/b11-10+,19-14+
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5.70n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for Retinoic acid receptor RXR-beta was determined by competing with 3[H]-9-cis-RA


J Med Chem 46: 4087-103 (2003)


Article DOI: 10.1021/jm020401k
BindingDB Entry DOI: 10.7270/Q2VM4BNR
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-beta


(Rattus norvegicus)
BDBM50133126
PNG
(5-[2-(3,5-Diisopropyl-2-propoxy-phenyl)-cyclopent-...)
Show SMILES CCCOc1c(cc(cc1C1=C(CCC1)\C=C\C(\C)=C\C(O)=O)C(C)C)C(C)C |t:11|
Show InChI InChI=1S/C26H36O3/c1-7-13-29-26-23(18(4)5)15-21(17(2)3)16-24(26)22-10-8-9-20(22)12-11-19(6)14-25(27)28/h11-12,14-18H,7-10,13H2,1-6H3,(H,27,28)/b12-11+,19-14+
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6n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for Retinoic acid receptor RXR-beta was determined by competing with 3[H]-9-cis-RA


J Med Chem 46: 4087-103 (2003)


Article DOI: 10.1021/jm020401k
BindingDB Entry DOI: 10.7270/Q2VM4BNR
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


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



Ligand Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Binding affinity against Retinoic acid receptor RXR-alpha by [3H]-9-cis-RA displacement.


Bioorg Med Chem Lett 14: 1593-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.089
BindingDB Entry DOI: 10.7270/Q2B857JF
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(RAT)
BDBM50133117
PNG
(5-{2-[2-(3-Fluoro-propoxy)-3,5-diisopropyl-phenyl]...)
Show SMILES CC(C)c1cc(C(C)C)c(OCCCF)c(c1)-c1occc1\C=C\C(\C)=C\C(O)=O
Show InChI InChI=1S/C25H31FO4/c1-16(2)20-14-21(17(3)4)25(29-11-6-10-26)22(15-20)24-19(9-12-30-24)8-7-18(5)13-23(27)28/h7-9,12-17H,6,10-11H2,1-5H3,(H,27,28)/b8-7+,18-13+
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6.20n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for Retinoic acid receptor RXR-alpha was determined by competing with 3[H]-9-cis-RA


J Med Chem 46: 4087-103 (2003)


Article DOI: 10.1021/jm020401k
BindingDB Entry DOI: 10.7270/Q2VM4BNR
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-gamma


(Rattus norvegicus)
BDBM50133117
PNG
(5-{2-[2-(3-Fluoro-propoxy)-3,5-diisopropyl-phenyl]...)
Show SMILES CC(C)c1cc(C(C)C)c(OCCCF)c(c1)-c1occc1\C=C\C(\C)=C\C(O)=O
Show InChI InChI=1S/C25H31FO4/c1-16(2)20-14-21(17(3)4)25(29-11-6-10-26)22(15-20)24-19(9-12-30-24)8-7-18(5)13-23(27)28/h7-9,12-17H,6,10-11H2,1-5H3,(H,27,28)/b8-7+,18-13+
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6.60n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for Retinoic acid receptor RXR-gamma was determined by competing with 3[H]-9-cis-RA


J Med Chem 46: 4087-103 (2003)


Article DOI: 10.1021/jm020401k
BindingDB Entry DOI: 10.7270/Q2VM4BNR
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-gamma


(Rattus norvegicus)
BDBM50133121
PNG
(5-{3-[3-tert-Butyl-2-(2,2-difluoro-ethoxy)-5-ethyl...)
Show SMILES CCc1cc(-c2ccsc2\C=C\C(\C)=C\C(O)=O)c(OCC(F)F)c(c1)C(C)(C)C
Show InChI InChI=1S/C24H28F2O3S/c1-6-16-12-18(23(29-14-21(25)26)19(13-16)24(3,4)5)17-9-10-30-20(17)8-7-15(2)11-22(27)28/h7-13,21H,6,14H2,1-5H3,(H,27,28)/b8-7+,15-11+
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6.90n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for Retinoic acid receptor RXR-gamma was determined by competing with 3[H]-9-cis-RA


J Med Chem 46: 4087-103 (2003)


Article DOI: 10.1021/jm020401k
BindingDB Entry DOI: 10.7270/Q2VM4BNR
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-beta


(Rattus norvegicus)
BDBM50133123
PNG
(5-{3-[3-tert-Butyl-5-ethyl-2-(3-fluoro-propoxy)-ph...)
Show SMILES CCc1cc(-c2ccsc2\C=C\C(\C)=C\C(O)=O)c(OCCCF)c(c1)C(C)(C)C
Show InChI InChI=1S/C25H31FO3S/c1-6-18-15-20(24(29-12-7-11-26)21(16-18)25(3,4)5)19-10-13-30-22(19)9-8-17(2)14-23(27)28/h8-10,13-16H,6-7,11-12H2,1-5H3,(H,27,28)/b9-8+,17-14+
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6.90n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for Retinoic acid receptor RXR-beta was determined by competing with 3[H]-9-cis-RA


J Med Chem 46: 4087-103 (2003)


Article DOI: 10.1021/jm020401k
BindingDB Entry DOI: 10.7270/Q2VM4BNR
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


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



Ligand Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Antagonist activity for Retinoic X receptor alpha in CV1 cells


Bioorg Med Chem Lett 14: 1593-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.089
BindingDB Entry DOI: 10.7270/Q2B857JF
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


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



Ligand Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Antagonist activity for Retinoic X receptor alpha in CV1 cells


Bioorg Med Chem Lett 14: 1593-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.089
BindingDB Entry DOI: 10.7270/Q2B857JF
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-beta


(Rattus norvegicus)
BDBM50133117
PNG
(5-{2-[2-(3-Fluoro-propoxy)-3,5-diisopropyl-phenyl]...)
Show SMILES CC(C)c1cc(C(C)C)c(OCCCF)c(c1)-c1occc1\C=C\C(\C)=C\C(O)=O
Show InChI InChI=1S/C25H31FO4/c1-16(2)20-14-21(17(3)4)25(29-11-6-10-26)22(15-20)24-19(9-12-30-24)8-7-18(5)13-23(27)28/h7-9,12-17H,6,10-11H2,1-5H3,(H,27,28)/b8-7+,18-13+
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7.20n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for Retinoic acid receptor RXR-beta was determined by competing with 3[H]-9-cis-RA


J Med Chem 46: 4087-103 (2003)


Article DOI: 10.1021/jm020401k
BindingDB Entry DOI: 10.7270/Q2VM4BNR
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-beta


(Homo sapiens (Human))
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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7.5n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]-9-cis-RA from Retinoic X receptor beta


Bioorg Med Chem Lett 14: 1593-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.089
BindingDB Entry DOI: 10.7270/Q2B857JF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoic acid receptor RXR-gamma


(Rattus norvegicus)
BDBM50133114
PNG
(5-{2-[2-(3-Fluoro-propoxy)-3,5-diisopropyl-phenyl]...)
Show SMILES CC(C)c1cc(C(C)C)c(OCCCF)c(c1)C1=C(CCC1)\C=C\C(\C)=C\C(O)=O |t:18|
Show InChI InChI=1S/C26H35FO3/c1-17(2)21-15-23(18(3)4)26(30-13-7-12-27)24(16-21)22-9-6-8-20(22)11-10-19(5)14-25(28)29/h10-11,14-18H,6-9,12-13H2,1-5H3,(H,28,29)/b11-10+,19-14+
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7.60n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for Retinoic acid receptor RXR-gamma was determined by competing with 3[H]-9-cis-RA


J Med Chem 46: 4087-103 (2003)


Article DOI: 10.1021/jm020401k
BindingDB Entry DOI: 10.7270/Q2VM4BNR
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(RAT)
BDBM50133120
PNG
(5-{3-[3,5-Diisopropyl-2-(2,2,2-trifluoro-ethoxy)-p...)
Show SMILES CC(C)c1cc(C(C)C)c(OCC(F)(F)F)c(c1)-c1ccsc1\C=C\C(\C)=C\C(O)=O
Show InChI InChI=1S/C24H27F3O3S/c1-14(2)17-11-19(15(3)4)23(30-13-24(25,26)27)20(12-17)18-8-9-31-21(18)7-6-16(5)10-22(28)29/h6-12,14-15H,13H2,1-5H3,(H,28,29)/b7-6+,16-10+
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8.70n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for Retinoic acid receptor RXR-alpha was determined by competing with 3[H]-9-cis-RA


J Med Chem 46: 4087-103 (2003)


Article DOI: 10.1021/jm020401k
BindingDB Entry DOI: 10.7270/Q2VM4BNR
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-beta


(Rattus norvegicus)
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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9n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for Retinoic acid receptor RXR-beta was determined by competing with 3[H]-9-cis-RA


J Med Chem 46: 4087-103 (2003)


Article DOI: 10.1021/jm020401k
BindingDB Entry DOI: 10.7270/Q2VM4BNR
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(RAT)
BDBM50133123
PNG
(5-{3-[3-tert-Butyl-5-ethyl-2-(3-fluoro-propoxy)-ph...)
Show SMILES CCc1cc(-c2ccsc2\C=C\C(\C)=C\C(O)=O)c(OCCCF)c(c1)C(C)(C)C
Show InChI InChI=1S/C25H31FO3S/c1-6-18-15-20(24(29-12-7-11-26)21(16-18)25(3,4)5)19-10-13-30-22(19)9-8-17(2)14-23(27)28/h8-10,13-16H,6-7,11-12H2,1-5H3,(H,27,28)/b9-8+,17-14+
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9.90n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for Retinoic acid receptor RXR-alpha was determined by competing with 3[H]-9-cis-RA


J Med Chem 46: 4087-103 (2003)


Article DOI: 10.1021/jm020401k
BindingDB Entry DOI: 10.7270/Q2VM4BNR
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-gamma


(Rattus norvegicus)
BDBM50133127
PNG
(5-{3-[2-(3-Fluoro-propoxy)-3,5-diisopropyl-phenyl]...)
Show SMILES CC(C)c1cc(C(C)C)c(OCCCF)c(c1)-c1ccsc1\C=C\C(\C)=C\C(O)=O
Show InChI InChI=1S/C25H31FO3S/c1-16(2)19-14-21(17(3)4)25(29-11-6-10-26)22(15-19)20-9-12-30-23(20)8-7-18(5)13-24(27)28/h7-9,12-17H,6,10-11H2,1-5H3,(H,27,28)/b8-7+,18-13+
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10n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for Retinoic acid receptor RXR-gamma was determined by competing with 3[H]-9-cis-RA


J Med Chem 46: 4087-103 (2003)


Article DOI: 10.1021/jm020401k
BindingDB Entry DOI: 10.7270/Q2VM4BNR
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-beta


(Homo sapiens (Human))
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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10n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]-9-cis-RA from Retinoic X receptor beta


Bioorg Med Chem Lett 14: 1593-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.089
BindingDB Entry DOI: 10.7270/Q2B857JF
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-beta


(Homo sapiens (Human))
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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10n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]-9-cis-RA from Retinoic X receptor beta


Bioorg Med Chem Lett 14: 1593-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.089
BindingDB Entry DOI: 10.7270/Q2B857JF
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-beta


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



Ligand Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]-9-cis-RA from Retinoic X receptor beta


Bioorg Med Chem Lett 14: 1593-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.089
BindingDB Entry DOI: 10.7270/Q2B857JF
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-beta


(Homo sapiens (Human))
BDBM50452047
PNG
(CHEMBL2372524)
Show SMILES C[C@H](NC(=O)[C@H](Cc1ccccc1)NP(O)(O)=O)C(=O)NCC(N)=O |r|
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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12n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]-9-cis-RA from Retinoic X receptor beta


Bioorg Med Chem Lett 14: 1593-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.089
BindingDB Entry DOI: 10.7270/Q2B857JF
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-gamma


(Rattus norvegicus)
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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12n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for Retinoic acid receptor RXR-gamma was determined by competing with 3[H]-9-cis-RA


J Med Chem 46: 4087-103 (2003)


Article DOI: 10.1021/jm020401k
BindingDB Entry DOI: 10.7270/Q2VM4BNR
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-beta


(Homo sapiens (Human))
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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12n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]-9-cis-RA from Retinoic X receptor beta


Bioorg Med Chem Lett 14: 1593-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.089
BindingDB Entry DOI: 10.7270/Q2B857JF
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-gamma


(Homo sapiens (Human))
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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12n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]-9-cis-RA from retinoic X receptor gamma


Bioorg Med Chem Lett 14: 1593-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.089
BindingDB Entry DOI: 10.7270/Q2B857JF
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-beta


(Homo sapiens (Human))
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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12n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]-9-cis-RA from Retinoic X receptor beta


Bioorg Med Chem Lett 14: 1593-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.089
BindingDB Entry DOI: 10.7270/Q2B857JF
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-gamma


(Homo sapiens (Human))
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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12n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]-9-cis-RA from retinoic X receptor gamma


Bioorg Med Chem Lett 14: 1593-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.089
BindingDB Entry DOI: 10.7270/Q2B857JF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
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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12n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Binding affinity against Retinoic acid receptor RXR-alpha by [3H]-9-cis-RA displacement.


Bioorg Med Chem Lett 14: 1593-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.089
BindingDB Entry DOI: 10.7270/Q2B857JF
More data for this
Ligand-Target Pair
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