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Compile Data Set for Download or QSAR

Found 15 hits of ic50 for UniProtKB: P28702   
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
Retinoid receptor


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



Ligand Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Binding affinity against retinoic Acid X beta receptor using [3H]- -9-cis-Retinoic Acid in competitive binding assay


J Med Chem 37: 408-14 (1994)


BindingDB Entry DOI: 10.7270/Q20V8BT5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoid receptor


(Homo sapiens (Human))
BDBM50218464
PNG
((Z)-4-(5,7,7,10,10-pentamethyl-2-nitro-7,8,9,10-te...)
Show SMILES CN1c2ccc(cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C)[N+]([O-])=O |t:9|
Show InChI InChI=1S/C29H29N3O4/c1-28(2)12-13-29(3,4)22-16-25-20(15-21(22)28)26(17-6-8-18(9-7-17)27(33)34)30-23-14-19(32(35)36)10-11-24(23)31(25)5/h6-11,14-16H,12-13H2,1-5H3,(H,33,34)
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n/an/a 44n/an/an/an/an/an/a



Okayama University Graduate School of Medicine

Curated by ChEMBL


Assay Description
Antagonist activity at RXRbeta (unknown origin) expressed in african green monkey COS1 cells assessed as inhibition of LGD1069-induced agonist activi...


Bioorg Med Chem Lett 19: 1001-3 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.086
BindingDB Entry DOI: 10.7270/Q2TH8MJW
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50044098
PNG
(4-[(E)-2-(3-Isopropyl-5,5,8,8-tetramethyl-5,6,7,8-...)
Show SMILES CC(C)c1cc2c(cc1\C(C)=C\c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C27H34O2/c1-17(2)21-15-23-24(27(6,7)13-12-26(23,4)5)16-22(21)18(3)14-19-8-10-20(11-9-19)25(28)29/h8-11,14-17H,12-13H2,1-7H3,(H,28,29)/b18-14+
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n/an/a 50n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Binding affinity against retinoic Acid X beta receptor using [3H]- -9-cis-Retinoic Acid in competitive binding assay


J Med Chem 37: 408-14 (1994)


BindingDB Entry DOI: 10.7270/Q20V8BT5
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50044099
PNG
(4-[(E)-2-(3-Ethyl-5,5,8,8-tetramethyl-5,6,7,8-tetr...)
Show SMILES CCc1cc2c(cc1\C(C)=C\c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C26H32O2/c1-7-19-15-22-23(26(5,6)13-12-25(22,3)4)16-21(19)17(2)14-18-8-10-20(11-9-18)24(27)28/h8-11,14-16H,7,12-13H2,1-6H3,(H,27,28)/b17-14+
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n/an/a 50n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Binding affinity against retinoic Acid X beta receptor using [3H]- -9-cis-Retinoic Acid in competitive binding assay


J Med Chem 37: 408-14 (1994)


BindingDB Entry DOI: 10.7270/Q20V8BT5
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50256177
PNG
(6-(N-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphth...)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)N(c1ccc(cn1)C(O)=O)S(=O)(=O)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C27H27F3N2O4S/c1-25(2)13-14-26(3,4)22-15-19(8-11-21(22)25)32(23-12-5-17(16-31-23)24(33)34)37(35,36)20-9-6-18(7-10-20)27(28,29)30/h5-12,15-16H,13-14H2,1-4H3,(H,33,34)
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n/an/a 750n/an/an/an/an/an/a



Okayama University Graduate School of Medicine

Curated by ChEMBL


Assay Description
Antagonist activity at RXRbeta (unknown origin) expressed in african green monkey COS1 cells assessed as inhibition of LGD1069-induced agonist activi...


Bioorg Med Chem Lett 19: 1001-3 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.086
BindingDB Entry DOI: 10.7270/Q2TH8MJW
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50256176
PNG
(6-(4-chloro-N-(5,5,8,8-tetramethyl-5,6,7,8-tetrahy...)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)N(c1ccc(cn1)C(O)=O)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H27ClN2O4S/c1-25(2)13-14-26(3,4)22-15-19(8-11-21(22)25)29(23-12-5-17(16-28-23)24(30)31)34(32,33)20-9-6-18(27)7-10-20/h5-12,15-16H,13-14H2,1-4H3,(H,30,31)
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n/an/a 870n/an/an/an/an/an/a



Okayama University Graduate School of Medicine

Curated by ChEMBL


Assay Description
Antagonist activity at RXRbeta (unknown origin) expressed in african green monkey COS1 cells assessed as inhibition of LGD1069-induced agonist activi...


Bioorg Med Chem Lett 19: 1001-3 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.086
BindingDB Entry DOI: 10.7270/Q2TH8MJW
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50032219
PNG
((E)-4-(2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydrona...)
Show SMILES C\C(=C/c1ccc(cc1)C(O)=O)c1ccc2c(c1)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H28O2/c1-16(14-17-6-8-18(9-7-17)22(25)26)19-10-11-20-21(15-19)24(4,5)13-12-23(20,2)3/h6-11,14-15H,12-13H2,1-5H3,(H,25,26)/b16-14+
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n/an/a>1.00E+3n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Binding affinity against retinoic Acid X beta receptor using [3H]- -9-cis-Retinoic Acid in competitive binding assay


J Med Chem 37: 408-14 (1994)


BindingDB Entry DOI: 10.7270/Q20V8BT5
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50032221
PNG
(4-[(E)-2-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro...)
Show SMILES C\C(=C/c1ccc(cc1)C(O)=O)c1cc2c(cc1C)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C25H30O2/c1-16(13-18-7-9-19(10-8-18)23(26)27)20-15-22-21(14-17(20)2)24(3,4)11-12-25(22,5)6/h7-10,13-15H,11-12H2,1-6H3,(H,26,27)/b16-13+
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n/an/a>1.00E+3n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Binding affinity against retinoic Acid X beta receptor using [3H]- -9-cis-Retinoic Acid in competitive binding assay


J Med Chem 37: 408-14 (1994)


BindingDB Entry DOI: 10.7270/Q20V8BT5
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM31883
PNG
(9-cis-retinoic acid (9cRA) | ALL-TRANS-RETINOIC AC...)
Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O |c:4|
Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+
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n/an/a>1.00E+3n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Binding affinity against retinoic Acid X beta receptor using [3H]- -9-cis-Retinoic Acid in competitive binding assay


J Med Chem 37: 408-14 (1994)


BindingDB Entry DOI: 10.7270/Q20V8BT5
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50256174
PNG
(6-(4-methyl-N-(5,5,8,8-tetramethyl-5,6,7,8-tetrahy...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N(c1ccc2c(c1)C(C)(C)CCC2(C)C)c1ccc(cn1)C(O)=O
Show InChI InChI=1S/C27H30N2O4S/c1-18-6-10-21(11-7-18)34(32,33)29(24-13-8-19(17-28-24)25(30)31)20-9-12-22-23(16-20)27(4,5)15-14-26(22,2)3/h6-13,16-17H,14-15H2,1-5H3,(H,30,31)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Okayama University Graduate School of Medicine

Curated by ChEMBL


Assay Description
Antagonist activity at RXRbeta (unknown origin) expressed in african green monkey COS1 cells assessed as inhibition of LGD1069-induced agonist activi...


Bioorg Med Chem Lett 19: 1001-3 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.086
BindingDB Entry DOI: 10.7270/Q2TH8MJW
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50256175
PNG
(6-(4-methoxy-N-(5,5,8,8-tetramethyl-5,6,7,8-tetrah...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(c1ccc2c(c1)C(C)(C)CCC2(C)C)c1ccc(cn1)C(O)=O
Show InChI InChI=1S/C27H30N2O5S/c1-26(2)14-15-27(3,4)23-16-19(7-12-22(23)26)29(24-13-6-18(17-28-24)25(30)31)35(32,33)21-10-8-20(34-5)9-11-21/h6-13,16-17H,14-15H2,1-5H3,(H,30,31)
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n/an/a 3.90E+3n/an/an/an/an/an/a



Okayama University Graduate School of Medicine

Curated by ChEMBL


Assay Description
Antagonist activity at RXRbeta (unknown origin) expressed in african green monkey COS1 cells assessed as inhibition of LGD1069-induced agonist activi...


Bioorg Med Chem Lett 19: 1001-3 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.086
BindingDB Entry DOI: 10.7270/Q2TH8MJW
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50256123
PNG
(6-(N-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphth...)
Show SMILES CCCCS(=O)(=O)N(c1ccc2c(c1)C(C)(C)CCC2(C)C)c1ccc(cn1)C(O)=O
Show InChI InChI=1S/C24H32N2O4S/c1-6-7-14-31(29,30)26(21-11-8-17(16-25-21)22(27)28)18-9-10-19-20(15-18)24(4,5)13-12-23(19,2)3/h8-11,15-16H,6-7,12-14H2,1-5H3,(H,27,28)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Okayama University Graduate School of Medicine

Curated by ChEMBL


Assay Description
Antagonist activity at RXRbeta (unknown origin) expressed in african green monkey COS1 cells assessed as inhibition of LGD1069-induced agonist activi...


Bioorg Med Chem Lett 19: 1001-3 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.086
BindingDB Entry DOI: 10.7270/Q2TH8MJW
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50256124
PNG
(6-(N-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphth...)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)N(c1ccc(cn1)C(O)=O)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C26H28N2O4S/c1-25(2)14-15-26(3,4)22-16-19(11-12-21(22)25)28(23-13-10-18(17-27-23)24(29)30)33(31,32)20-8-6-5-7-9-20/h5-13,16-17H,14-15H2,1-4H3,(H,29,30)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Okayama University Graduate School of Medicine

Curated by ChEMBL


Assay Description
Antagonist activity at RXRbeta (unknown origin) expressed in african green monkey COS1 cells assessed as inhibition of LGD1069-induced agonist activi...


Bioorg Med Chem Lett 19: 1001-3 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.086
BindingDB Entry DOI: 10.7270/Q2TH8MJW
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50256275
PNG
(6-(4-nitro-N-(5,5,8,8-tetramethyl-5,6,7,8-tetrahyd...)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)N(c1ccc(cn1)C(O)=O)S(=O)(=O)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C26H27N3O6S/c1-25(2)13-14-26(3,4)22-15-19(8-11-21(22)25)28(23-12-5-17(16-27-23)24(30)31)36(34,35)20-9-6-18(7-10-20)29(32)33/h5-12,15-16H,13-14H2,1-4H3,(H,30,31)
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Okayama University Graduate School of Medicine

Curated by ChEMBL


Assay Description
Antagonist activity at RXRbeta (unknown origin) expressed in african green monkey COS1 cells assessed as inhibition of LGD1069-induced agonist activi...


Bioorg Med Chem Lett 19: 1001-3 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.086
BindingDB Entry DOI: 10.7270/Q2TH8MJW
More data for this
Ligand-Target Pair
Retinoid X receptor


(Homo sapiens (Human))
BDBM50177015
PNG
(CHEMBL3814206 | US10144715, Compound 19-1)
Show SMILES CC(C)[C@@H]1CN(CCN1c1ncc(CO)c(n1)C(F)(F)F)c1ccc(CO)c(c1)S(C)(=O)=O |r|
Show InChI InChI=1/C21H27F3N4O4S/c1-13(2)17-10-27(16-5-4-14(11-29)18(8-16)33(3,31)32)6-7-28(17)20-25-9-15(12-30)19(26-20)21(22,23)24/h4-5,8-9,13,17,29-30H,6-7,10-12H2,1-3H3/t17-/s2
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Vitae Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of RXR (unknown origin)


J Med Chem 59: 3264-71 (2016)


BindingDB Entry DOI: 10.7270/Q2XP76V7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)