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PubMed code 29439915

Compile data set for download or QSAR
Found 18 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Retinoic acid receptor alpha/Retinoid X receptor alpha


(Homo sapiens (Human))
BDBM50460100
PNG
(CHEMBL4226854)
Show SMILES CCOC(=O)c1ccc(cc1)-c1nc(c(C)s1)-c1ccc2c(c1)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C27H31NO2S/c1-7-30-25(29)19-10-8-18(9-11-19)24-28-23(17(2)31-24)20-12-13-21-22(16-20)27(5,6)15-14-26(21,3)4/h8-13,16H,7,14-15H2,1-6H3
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n/an/an/an/a 89n/an/an/an/a



Helwan University

Curated by ChEMBL


Assay Description
Transactivation of GST-tagged RARalpha LBD (unknown origin) assessed as fluorescein-labelled coactivator peptide recruitment measured after 4 hrs by ...


Bioorg Med Chem 26: 1560-1572 (2018)


Article DOI: 10.1016/j.bmc.2018.02.002
BindingDB Entry DOI: 10.7270/Q2WQ06F7
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha/gamma


(Homo sapiens (Human))
BDBM50413270
PNG
(CHEMBL512879)
Show SMILES CCOCCOc1nc(sc1C)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C15H17NO4S/c1-3-19-8-9-20-13-10(2)21-14(16-13)11-4-6-12(7-5-11)15(17)18/h4-7H,3,8-9H2,1-2H3,(H,17,18)
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n/an/an/an/a 141n/an/an/an/a



Helwan University

Curated by ChEMBL


Assay Description
Transactivation of GST-tagged RARgamma LBD (unknown origin) assessed as fluorescein-labelled coactivator peptide recruitment measured after 4 hrs by ...


Bioorg Med Chem 26: 1560-1572 (2018)


Article DOI: 10.1016/j.bmc.2018.02.002
BindingDB Entry DOI: 10.7270/Q2WQ06F7
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha/Retinoic acid receptor beta


(Homo sapiens (Human))
BDBM50460100
PNG
(CHEMBL4226854)
Show SMILES CCOC(=O)c1ccc(cc1)-c1nc(c(C)s1)-c1ccc2c(c1)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C27H31NO2S/c1-7-30-25(29)19-10-8-18(9-11-19)24-28-23(17(2)31-24)20-12-13-21-22(16-20)27(5,6)15-14-26(21,3)4/h8-13,16H,7,14-15H2,1-6H3
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n/an/an/an/a 12n/an/an/an/a



Helwan University

Curated by ChEMBL


Assay Description
Transactivation of GST-tagged RARbeta LBD (unknown origin) assessed as fluorescein-labelled coactivator peptide recruitment measured after 4 hrs by T...


Bioorg Med Chem 26: 1560-1572 (2018)


Article DOI: 10.1016/j.bmc.2018.02.002
BindingDB Entry DOI: 10.7270/Q2WQ06F7
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha/gamma


(Homo sapiens (Human))
BDBM50460102
PNG
(CHEMBL4224900)
Show SMILES Cc1sc(nc1-c1ccc2c(c1)C(C)(C)CCC2(C)C)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C25H27NO2S/c1-15-21(26-22(29-15)16-6-8-17(9-7-16)23(27)28)18-10-11-19-20(14-18)25(4,5)13-12-24(19,2)3/h6-11,14H,12-13H2,1-5H3,(H,27,28)
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n/an/an/an/a 99n/an/an/an/a



Helwan University

Curated by ChEMBL


Assay Description
Transactivation of GST-tagged RARgamma LBD (unknown origin) assessed as fluorescein-labelled coactivator peptide recruitment measured after 4 hrs by ...


Bioorg Med Chem 26: 1560-1572 (2018)


Article DOI: 10.1016/j.bmc.2018.02.002
BindingDB Entry DOI: 10.7270/Q2WQ06F7
More data for this
Ligand-Target Pair
Retinoic acid receptor alpha/Retinoid X receptor alpha


(Homo sapiens (Human))
BDBM50413270
PNG
(CHEMBL512879)
Show SMILES CCOCCOc1nc(sc1C)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C15H17NO4S/c1-3-19-8-9-20-13-10(2)21-14(16-13)11-4-6-12(7-5-11)15(17)18/h4-7H,3,8-9H2,1-2H3,(H,17,18)
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n/an/an/an/a 15n/an/an/an/a



Helwan University

Curated by ChEMBL


Assay Description
Transactivation of GST-tagged RARalpha LBD (unknown origin) assessed as fluorescein-labelled coactivator peptide recruitment measured after 4 hrs by ...


Bioorg Med Chem 26: 1560-1572 (2018)


Article DOI: 10.1016/j.bmc.2018.02.002
BindingDB Entry DOI: 10.7270/Q2WQ06F7
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha/gamma


(Homo sapiens (Human))
BDBM50460100
PNG
(CHEMBL4226854)
Show SMILES CCOC(=O)c1ccc(cc1)-c1nc(c(C)s1)-c1ccc2c(c1)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C27H31NO2S/c1-7-30-25(29)19-10-8-18(9-11-19)24-28-23(17(2)31-24)20-12-13-21-22(16-20)27(5,6)15-14-26(21,3)4/h8-13,16H,7,14-15H2,1-6H3
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n/an/an/an/a 847n/an/an/an/a



Helwan University

Curated by ChEMBL


Assay Description
Transactivation of GST-tagged RARgamma LBD (unknown origin) assessed as fluorescein-labelled coactivator peptide recruitment measured after 4 hrs by ...


Bioorg Med Chem 26: 1560-1572 (2018)


Article DOI: 10.1016/j.bmc.2018.02.002
BindingDB Entry DOI: 10.7270/Q2WQ06F7
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha/gamma


(Homo sapiens (Human))
BDBM50460101
PNG
(CHEMBL4226389)
Show SMILES Cc1sc(nc1-c1ccccc1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C17H13NO2S/c1-11-15(12-5-3-2-4-6-12)18-16(21-11)13-7-9-14(10-8-13)17(19)20/h2-10H,1H3,(H,19,20)
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n/an/an/an/a 109n/an/an/an/a



Helwan University

Curated by ChEMBL


Assay Description
Transactivation of GST-tagged RARgamma LBD (unknown origin) assessed as fluorescein-labelled coactivator peptide recruitment measured after 4 hrs by ...


Bioorg Med Chem 26: 1560-1572 (2018)


Article DOI: 10.1016/j.bmc.2018.02.002
BindingDB Entry DOI: 10.7270/Q2WQ06F7
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha/Retinoic acid receptor beta


(Homo sapiens (Human))
BDBM50413270
PNG
(CHEMBL512879)
Show SMILES CCOCCOc1nc(sc1C)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C15H17NO4S/c1-3-19-8-9-20-13-10(2)21-14(16-13)11-4-6-12(7-5-11)15(17)18/h4-7H,3,8-9H2,1-2H3,(H,17,18)
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n/an/an/an/a 57n/an/an/an/a



Helwan University

Curated by ChEMBL


Assay Description
Transactivation of GST-tagged RARbeta LBD (unknown origin) assessed as fluorescein-labelled coactivator peptide recruitment measured after 4 hrs by T...


Bioorg Med Chem 26: 1560-1572 (2018)


Article DOI: 10.1016/j.bmc.2018.02.002
BindingDB Entry DOI: 10.7270/Q2WQ06F7
More data for this
Ligand-Target Pair
Retinoic acid receptor alpha/Retinoid X receptor alpha


(Homo sapiens (Human))
BDBM50460101
PNG
(CHEMBL4226389)
Show SMILES Cc1sc(nc1-c1ccccc1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C17H13NO2S/c1-11-15(12-5-3-2-4-6-12)18-16(21-11)13-7-9-14(10-8-13)17(19)20/h2-10H,1H3,(H,19,20)
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n/an/an/an/a 78n/an/an/an/a



Helwan University

Curated by ChEMBL


Assay Description
Transactivation of GST-tagged RARalpha LBD (unknown origin) assessed as fluorescein-labelled coactivator peptide recruitment measured after 4 hrs by ...


Bioorg Med Chem 26: 1560-1572 (2018)


Article DOI: 10.1016/j.bmc.2018.02.002
BindingDB Entry DOI: 10.7270/Q2WQ06F7
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha/Retinoic acid receptor beta


(Homo sapiens (Human))
BDBM50460101
PNG
(CHEMBL4226389)
Show SMILES Cc1sc(nc1-c1ccccc1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C17H13NO2S/c1-11-15(12-5-3-2-4-6-12)18-16(21-11)13-7-9-14(10-8-13)17(19)20/h2-10H,1H3,(H,19,20)
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n/an/an/an/a 78n/an/an/an/a



Helwan University

Curated by ChEMBL


Assay Description
Transactivation of GST-tagged RARbeta LBD (unknown origin) assessed as fluorescein-labelled coactivator peptide recruitment measured after 4 hrs by T...


Bioorg Med Chem 26: 1560-1572 (2018)


Article DOI: 10.1016/j.bmc.2018.02.002
BindingDB Entry DOI: 10.7270/Q2WQ06F7
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha/Retinoic acid receptor beta


(Homo sapiens (Human))
BDBM50460102
PNG
(CHEMBL4224900)
Show SMILES Cc1sc(nc1-c1ccc2c(c1)C(C)(C)CCC2(C)C)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C25H27NO2S/c1-15-21(26-22(29-15)16-6-8-17(9-7-16)23(27)28)18-10-11-19-20(14-18)25(4,5)13-12-24(19,2)3/h6-11,14H,12-13H2,1-5H3,(H,27,28)
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n/an/an/an/a 11n/an/an/an/a



Helwan University

Curated by ChEMBL


Assay Description
Transactivation of GST-tagged RARbeta LBD (unknown origin) assessed as fluorescein-labelled coactivator peptide recruitment measured after 4 hrs by T...


Bioorg Med Chem 26: 1560-1572 (2018)


Article DOI: 10.1016/j.bmc.2018.02.002
BindingDB Entry DOI: 10.7270/Q2WQ06F7
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha/Retinoic acid receptor beta


(Homo sapiens (Human))
BDBM31883
PNG
(9-cis-retinoic acid (9cRA) | ALL-TRANS-RETINOIC AC...)
Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O
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 18n/an/an/an/a



Helwan University

Curated by ChEMBL


Assay Description
Transactivation of GST-tagged RARbeta LBD (unknown origin) assessed as fluorescein-labelled coactivator peptide recruitment measured after 4 hrs by T...


Bioorg Med Chem 26: 1560-1572 (2018)


Article DOI: 10.1016/j.bmc.2018.02.002
BindingDB Entry DOI: 10.7270/Q2WQ06F7
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha/Retinoic acid receptor beta


(Homo sapiens (Human))
BDBM50460103
PNG
(CHEMBL4226012)
Show SMILES CCOC(=O)c1ccc(cc1)-c1nc(c(C)s1)-c1ccccc1
Show InChI InChI=1S/C19H17NO2S/c1-3-22-19(21)16-11-9-15(10-12-16)18-20-17(13(2)23-18)14-7-5-4-6-8-14/h4-12H,3H2,1-2H3
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n/an/an/an/a 136n/an/an/an/a



Helwan University

Curated by ChEMBL


Assay Description
Transactivation of GST-tagged RARbeta LBD (unknown origin) assessed as fluorescein-labelled coactivator peptide recruitment measured after 4 hrs by T...


Bioorg Med Chem 26: 1560-1572 (2018)


Article DOI: 10.1016/j.bmc.2018.02.002
BindingDB Entry DOI: 10.7270/Q2WQ06F7
More data for this
Ligand-Target Pair
Retinoic acid receptor alpha/Retinoid X receptor alpha


(Homo sapiens (Human))
BDBM50460102
PNG
(CHEMBL4224900)
Show SMILES Cc1sc(nc1-c1ccc2c(c1)C(C)(C)CCC2(C)C)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C25H27NO2S/c1-15-21(26-22(29-15)16-6-8-17(9-7-16)23(27)28)18-10-11-19-20(14-18)25(4,5)13-12-24(19,2)3/h6-11,14H,12-13H2,1-5H3,(H,27,28)
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n/an/an/an/a 8.20n/an/an/an/a



Helwan University

Curated by ChEMBL


Assay Description
Transactivation of GST-tagged RARalpha LBD (unknown origin) assessed as fluorescein-labelled coactivator peptide recruitment measured after 4 hrs by ...


Bioorg Med Chem 26: 1560-1572 (2018)


Article DOI: 10.1016/j.bmc.2018.02.002
BindingDB Entry DOI: 10.7270/Q2WQ06F7
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha/gamma


(Homo sapiens (Human))
BDBM50460103
PNG
(CHEMBL4226012)
Show SMILES CCOC(=O)c1ccc(cc1)-c1nc(c(C)s1)-c1ccccc1
Show InChI InChI=1S/C19H17NO2S/c1-3-22-19(21)16-11-9-15(10-12-16)18-20-17(13(2)23-18)14-7-5-4-6-8-14/h4-12H,3H2,1-2H3
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n/an/an/an/a 383n/an/an/an/a



Helwan University

Curated by ChEMBL


Assay Description
Transactivation of GST-tagged RARgamma LBD (unknown origin) assessed as fluorescein-labelled coactivator peptide recruitment measured after 4 hrs by ...


Bioorg Med Chem 26: 1560-1572 (2018)


Article DOI: 10.1016/j.bmc.2018.02.002
BindingDB Entry DOI: 10.7270/Q2WQ06F7
More data for this
Ligand-Target Pair
Retinoic acid receptor alpha/Retinoid X receptor alpha


(Homo sapiens (Human))
BDBM50460103
PNG
(CHEMBL4226012)
Show SMILES CCOC(=O)c1ccc(cc1)-c1nc(c(C)s1)-c1ccccc1
Show InChI InChI=1S/C19H17NO2S/c1-3-22-19(21)16-11-9-15(10-12-16)18-20-17(13(2)23-18)14-7-5-4-6-8-14/h4-12H,3H2,1-2H3
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n/an/an/an/a 82n/an/an/an/a



Helwan University

Curated by ChEMBL


Assay Description
Transactivation of GST-tagged RARalpha LBD (unknown origin) assessed as fluorescein-labelled coactivator peptide recruitment measured after 4 hrs by ...


Bioorg Med Chem 26: 1560-1572 (2018)


Article DOI: 10.1016/j.bmc.2018.02.002
BindingDB Entry DOI: 10.7270/Q2WQ06F7
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha/gamma


(Homo sapiens (Human))
BDBM31883
PNG
(9-cis-retinoic acid (9cRA) | ALL-TRANS-RETINOIC AC...)
Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O
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 15n/an/an/an/a



Helwan University

Curated by ChEMBL


Assay Description
Transactivation of GST-tagged RARgamma LBD (unknown origin) assessed as fluorescein-labelled coactivator peptide recruitment measured after 4 hrs by ...


Bioorg Med Chem 26: 1560-1572 (2018)


Article DOI: 10.1016/j.bmc.2018.02.002
BindingDB Entry DOI: 10.7270/Q2WQ06F7
More data for this
Ligand-Target Pair
Retinoic acid receptor alpha/Retinoid X receptor alpha


(Homo sapiens (Human))
BDBM31883
PNG
(9-cis-retinoic acid (9cRA) | ALL-TRANS-RETINOIC AC...)
Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O
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 16n/an/an/an/a



Helwan University

Curated by ChEMBL


Assay Description
Transactivation of GST-tagged RARalpha LBD (unknown origin) assessed as fluorescein-labelled coactivator peptide recruitment measured after 4 hrs by ...


Bioorg Med Chem 26: 1560-1572 (2018)


Article DOI: 10.1016/j.bmc.2018.02.002
BindingDB Entry DOI: 10.7270/Q2WQ06F7
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%