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PubMed code 19058965

Compile data set for download or QSAR
Found 30 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
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50265920
PNG
(4-((5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthal...)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C#Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C23H24O2/c1-22(2)13-14-23(3,4)20-15-17(9-12-19(20)22)6-5-16-7-10-18(11-8-16)21(24)25/h7-12,15H,13-14H2,1-4H3,(H,24,25)
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n/an/an/an/a 0.600n/an/an/an/a



University of Lille

Curated by ChEMBL


Assay Description
Activity at human RARalpha ligand binding domain expressed in COS7 cells cotransfected with Gal4-DBD assessed as transcriptional activation after 16 ...


Bioorg Med Chem Lett 19: 489-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.040
BindingDB Entry DOI: 10.7270/Q2GF0TC9
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
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 12n/an/an/an/a



University of Lille

Curated by ChEMBL


Assay Description
Activity at human RARbeta ligand binding domain expressed in COS7 cells cotransfected with Gal4-DBD assessed as transcriptional activation after 16 h...


Bioorg Med Chem Lett 19: 489-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.040
BindingDB Entry DOI: 10.7270/Q2GF0TC9
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50265917
PNG
(4-((4-tert-butylphenyl)ethynyl)benzoic acid | CHEM...)
Show SMILES CC(C)(C)c1ccc(cc1)C#Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C19H18O2/c1-19(2,3)17-12-8-15(9-13-17)5-4-14-6-10-16(11-7-14)18(20)21/h6-13H,1-3H3,(H,20,21)
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n/an/an/an/a 10n/an/an/an/a



University of Lille

Curated by ChEMBL


Assay Description
Activity at human RARbeta ligand binding domain expressed in COS7 cells cotransfected with Gal4-DBD assessed as transcriptional activation after 16 h...


Bioorg Med Chem Lett 19: 489-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.040
BindingDB Entry DOI: 10.7270/Q2GF0TC9
More data for this
Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50265918
PNG
(3-(4-((4-tert-butylphenyl)ethynyl)phenyl)-1,2,4-ox...)
Show SMILES CC(C)(C)c1ccc(cc1)C#Cc1ccc(cc1)-c1nc(=O)o[nH]1
Show InChI InChI=1S/C20H18N2O2/c1-20(2,3)17-12-8-15(9-13-17)5-4-14-6-10-16(11-7-14)18-21-19(23)24-22-18/h6-13H,1-3H3,(H,21,22,23)
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n/an/an/an/a>1.00E+3n/an/an/an/a



University of Lille

Curated by ChEMBL


Assay Description
Activity at human RARalpha ligand binding domain expressed in COS7 cells cotransfected with Gal4-DBD assessed as transcriptional activation after 16 ...


Bioorg Med Chem Lett 19: 489-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.040
BindingDB Entry DOI: 10.7270/Q2GF0TC9
More data for this
Ligand-Target Pair
Retinoid receptor


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



University of Lille

Curated by ChEMBL


Assay Description
Activity at human RARgamma ligand binding domain expressed in COS7 cells cotransfected with Gal4-DBD assessed as transcriptional activation after 16 ...


Bioorg Med Chem Lett 19: 489-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.040
BindingDB Entry DOI: 10.7270/Q2GF0TC9
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50265950
PNG
(5,5,8,8-tetramethyl-N-(4-(5-oxo-4,5-dihydro-1,2,4-...)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C(=O)Nc1ccc(cc1)-c1nc(=O)o[nH]1
Show InChI InChI=1S/C23H25N3O3/c1-22(2)11-12-23(3,4)18-13-15(7-10-17(18)22)20(27)24-16-8-5-14(6-9-16)19-25-21(28)29-26-19/h5-10,13H,11-12H2,1-4H3,(H,24,27)(H,25,26,28)
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n/an/an/an/a>1.00E+3n/an/an/an/a



University of Lille

Curated by ChEMBL


Assay Description
Activity at human RARgamma ligand binding domain expressed in COS7 cells cotransfected with Gal4-DBD assessed as transcriptional activation after 16 ...


Bioorg Med Chem Lett 19: 489-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.040
BindingDB Entry DOI: 10.7270/Q2GF0TC9
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50265951
PNG
(CHEMBL1657 | TAZAROTENE | US9963439, Tazarotene | ...)
Show SMILES CCOC(=O)c1ccc(nc1)C#Cc1ccc2SCCC(C)(C)c2c1
Show InChI InChI=1S/C21H21NO2S/c1-4-24-20(23)16-7-9-17(22-14-16)8-5-15-6-10-19-18(13-15)21(2,3)11-12-25-19/h6-7,9-10,13-14H,4,11-12H2,1-3H3
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n/an/an/an/a 40n/an/an/an/a



University of Lille

Curated by ChEMBL


Assay Description
Activity at human RARgamma ligand binding domain expressed in COS7 cells cotransfected with Gal4-DBD assessed as transcriptional activation after 16 ...


Bioorg Med Chem Lett 19: 489-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.040
BindingDB Entry DOI: 10.7270/Q2GF0TC9
More data for this
Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50265917
PNG
(4-((4-tert-butylphenyl)ethynyl)benzoic acid | CHEM...)
Show SMILES CC(C)(C)c1ccc(cc1)C#Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C19H18O2/c1-19(2,3)17-12-8-15(9-13-17)5-4-14-6-10-16(11-7-14)18(20)21/h6-13H,1-3H3,(H,20,21)
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n/an/an/an/a>1.00E+3n/an/an/an/a



University of Lille

Curated by ChEMBL


Assay Description
Activity at human RARalpha ligand binding domain expressed in COS7 cells cotransfected with Gal4-DBD assessed as transcriptional activation after 16 ...


Bioorg Med Chem Lett 19: 489-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.040
BindingDB Entry DOI: 10.7270/Q2GF0TC9
More data for this
Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50265949
PNG
(3-(3-((5,5,8,8-tetramethyl-5,6,7,8-tetrahydronapht...)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C#Cc1cccc(c1)-c1nc(=O)o[nH]1
Show InChI InChI=1S/C24H24N2O2/c1-23(2)12-13-24(3,4)20-15-17(10-11-19(20)23)9-8-16-6-5-7-18(14-16)21-25-22(27)28-26-21/h5-7,10-11,14-15H,12-13H2,1-4H3,(H,25,26,27)
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n/an/an/an/a>1.00E+3n/an/an/an/a



University of Lille

Curated by ChEMBL


Assay Description
Activity at human RARalpha ligand binding domain expressed in COS7 cells cotransfected with Gal4-DBD assessed as transcriptional activation after 16 ...


Bioorg Med Chem Lett 19: 489-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.040
BindingDB Entry DOI: 10.7270/Q2GF0TC9
More data for this
Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50052414
PNG
(4-(1,1,4,4-tetramethyl-1,2,3,4-tetrahydronaphthale...)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C(=O)Nc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C22H25NO3/c1-21(2)11-12-22(3,4)18-13-15(7-10-17(18)21)19(24)23-16-8-5-14(6-9-16)20(25)26/h5-10,13H,11-12H2,1-4H3,(H,23,24)(H,25,26)
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n/an/an/an/a 0.300n/an/an/an/a



University of Lille

Curated by ChEMBL


Assay Description
Activity at human RARalpha ligand binding domain expressed in COS7 cells cotransfected with Gal4-DBD assessed as transcriptional activation after 16 ...


Bioorg Med Chem Lett 19: 489-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.040
BindingDB Entry DOI: 10.7270/Q2GF0TC9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoid X receptor gamma/retinoic acid 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 17n/an/an/an/a



University of Lille

Curated by ChEMBL


Assay Description
Activity at human RARalpha ligand binding domain expressed in COS7 cells cotransfected with Gal4-DBD assessed as transcriptional activation after 16 ...


Bioorg Med Chem Lett 19: 489-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.040
BindingDB Entry DOI: 10.7270/Q2GF0TC9
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50265920
PNG
(4-((5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthal...)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C#Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C23H24O2/c1-22(2)13-14-23(3,4)20-15-17(9-12-19(20)22)6-5-16-7-10-18(11-8-16)21(24)25/h7-12,15H,13-14H2,1-4H3,(H,24,25)
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n/an/an/an/a 0.300n/an/an/an/a



University of Lille

Curated by ChEMBL


Assay Description
Activity at human RARbeta ligand binding domain expressed in COS7 cells cotransfected with Gal4-DBD assessed as transcriptional activation after 16 h...


Bioorg Med Chem Lett 19: 489-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.040
BindingDB Entry DOI: 10.7270/Q2GF0TC9
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50265918
PNG
(3-(4-((4-tert-butylphenyl)ethynyl)phenyl)-1,2,4-ox...)
Show SMILES CC(C)(C)c1ccc(cc1)C#Cc1ccc(cc1)-c1nc(=O)o[nH]1
Show InChI InChI=1S/C20H18N2O2/c1-20(2,3)17-12-8-15(9-13-17)5-4-14-6-10-16(11-7-14)18-21-19(23)24-22-18/h6-13H,1-3H3,(H,21,22,23)
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n/an/an/an/a>1.00E+3n/an/an/an/a



University of Lille

Curated by ChEMBL


Assay Description
Activity at human RARgamma ligand binding domain expressed in COS7 cells cotransfected with Gal4-DBD assessed as transcriptional activation after 16 ...


Bioorg Med Chem Lett 19: 489-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.040
BindingDB Entry DOI: 10.7270/Q2GF0TC9
More data for this
Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50265921
PNG
(3-(4-((5,5,8,8-tetramethyl-5,6,7,8-tetrahydronapht...)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C#Cc1ccc(cc1)-c1nc(=O)o[nH]1
Show InChI InChI=1S/C24H24N2O2/c1-23(2)13-14-24(3,4)20-15-17(9-12-19(20)23)6-5-16-7-10-18(11-8-16)21-25-22(27)28-26-21/h7-12,15H,13-14H2,1-4H3,(H,25,26,27)
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n/an/an/an/a>1.00E+3n/an/an/an/a



University of Lille

Curated by ChEMBL


Assay Description
Activity at human RARalpha ligand binding domain expressed in COS7 cells cotransfected with Gal4-DBD assessed as transcriptional activation after 16 ...


Bioorg Med Chem Lett 19: 489-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.040
BindingDB Entry DOI: 10.7270/Q2GF0TC9
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50265918
PNG
(3-(4-((4-tert-butylphenyl)ethynyl)phenyl)-1,2,4-ox...)
Show SMILES CC(C)(C)c1ccc(cc1)C#Cc1ccc(cc1)-c1nc(=O)o[nH]1
Show InChI InChI=1S/C20H18N2O2/c1-20(2,3)17-12-8-15(9-13-17)5-4-14-6-10-16(11-7-14)18-21-19(23)24-22-18/h6-13H,1-3H3,(H,21,22,23)
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n/an/an/an/a 820n/an/an/an/a



University of Lille

Curated by ChEMBL


Assay Description
Activity at human RARbeta ligand binding domain expressed in COS7 cells cotransfected with Gal4-DBD assessed as transcriptional activation after 16 h...


Bioorg Med Chem Lett 19: 489-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.040
BindingDB Entry DOI: 10.7270/Q2GF0TC9
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50265919
PNG
(3-(3-((4-tert-butylphenyl)ethynyl)phenyl)-1,2,4-ox...)
Show SMILES CC(C)(C)c1ccc(cc1)C#Cc1cccc(c1)-c1nc(=O)o[nH]1
Show InChI InChI=1S/C20H18N2O2/c1-20(2,3)17-11-9-14(10-12-17)7-8-15-5-4-6-16(13-15)18-21-19(23)24-22-18/h4-6,9-13H,1-3H3,(H,21,22,23)
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n/an/an/an/a>1.00E+3n/an/an/an/a



University of Lille

Curated by ChEMBL


Assay Description
Activity at human RARbeta ligand binding domain expressed in COS7 cells cotransfected with Gal4-DBD assessed as transcriptional activation after 16 h...


Bioorg Med Chem Lett 19: 489-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.040
BindingDB Entry DOI: 10.7270/Q2GF0TC9
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50052414
PNG
(4-(1,1,4,4-tetramethyl-1,2,3,4-tetrahydronaphthale...)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C(=O)Nc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C22H25NO3/c1-21(2)11-12-22(3,4)18-13-15(7-10-17(18)21)19(24)23-16-8-5-14(6-9-16)20(25)26/h5-10,13H,11-12H2,1-4H3,(H,23,24)(H,25,26)
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n/an/an/an/a 8.60n/an/an/an/a



University of Lille

Curated by ChEMBL


Assay Description
Activity at human RARbeta ligand binding domain expressed in COS7 cells cotransfected with Gal4-DBD assessed as transcriptional activation after 16 h...


Bioorg Med Chem Lett 19: 489-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.040
BindingDB Entry DOI: 10.7270/Q2GF0TC9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoid receptor


(Homo sapiens (Human))
BDBM50265951
PNG
(CHEMBL1657 | TAZAROTENE | US9963439, Tazarotene | ...)
Show SMILES CCOC(=O)c1ccc(nc1)C#Cc1ccc2SCCC(C)(C)c2c1
Show InChI InChI=1S/C21H21NO2S/c1-4-24-20(23)16-7-9-17(22-14-16)8-5-15-6-10-19-18(13-15)21(2,3)11-12-25-19/h6-7,9-10,13-14H,4,11-12H2,1-3H3
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n/an/an/an/a 0.800n/an/an/an/a



University of Lille

Curated by ChEMBL


Assay Description
Activity at human RARbeta ligand binding domain expressed in COS7 cells cotransfected with Gal4-DBD assessed as transcriptional activation after 16 h...


Bioorg Med Chem Lett 19: 489-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.040
BindingDB Entry DOI: 10.7270/Q2GF0TC9
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50265949
PNG
(3-(3-((5,5,8,8-tetramethyl-5,6,7,8-tetrahydronapht...)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C#Cc1cccc(c1)-c1nc(=O)o[nH]1
Show InChI InChI=1S/C24H24N2O2/c1-23(2)12-13-24(3,4)20-15-17(10-11-19(20)23)9-8-16-6-5-7-18(14-16)21-25-22(27)28-26-21/h5-7,10-11,14-15H,12-13H2,1-4H3,(H,25,26,27)
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n/an/an/an/a>1.00E+3n/an/an/an/a



University of Lille

Curated by ChEMBL


Assay Description
Activity at human RARgamma ligand binding domain expressed in COS7 cells cotransfected with Gal4-DBD assessed as transcriptional activation after 16 ...


Bioorg Med Chem Lett 19: 489-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.040
BindingDB Entry DOI: 10.7270/Q2GF0TC9
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
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 0.200n/an/an/an/a



University of Lille

Curated by ChEMBL


Assay Description
Activity at human RARgamma ligand binding domain expressed in COS7 cells cotransfected with Gal4-DBD assessed as transcriptional activation after 16 ...


Bioorg Med Chem Lett 19: 489-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.040
BindingDB Entry DOI: 10.7270/Q2GF0TC9
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50265921
PNG
(3-(4-((5,5,8,8-tetramethyl-5,6,7,8-tetrahydronapht...)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C#Cc1ccc(cc1)-c1nc(=O)o[nH]1
Show InChI InChI=1S/C24H24N2O2/c1-23(2)13-14-24(3,4)20-15-17(9-12-19(20)23)6-5-16-7-10-18(11-8-16)21-25-22(27)28-26-21/h7-12,15H,13-14H2,1-4H3,(H,25,26,27)
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n/an/an/an/a 26n/an/an/an/a



University of Lille

Curated by ChEMBL


Assay Description
Activity at human RARbeta ligand binding domain expressed in COS7 cells cotransfected with Gal4-DBD assessed as transcriptional activation after 16 h...


Bioorg Med Chem Lett 19: 489-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.040
BindingDB Entry DOI: 10.7270/Q2GF0TC9
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50265949
PNG
(3-(3-((5,5,8,8-tetramethyl-5,6,7,8-tetrahydronapht...)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C#Cc1cccc(c1)-c1nc(=O)o[nH]1
Show InChI InChI=1S/C24H24N2O2/c1-23(2)12-13-24(3,4)20-15-17(10-11-19(20)23)9-8-16-6-5-7-18(14-16)21-25-22(27)28-26-21/h5-7,10-11,14-15H,12-13H2,1-4H3,(H,25,26,27)
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n/an/an/an/a>1.00E+3n/an/an/an/a



University of Lille

Curated by ChEMBL


Assay Description
Activity at human RARbeta ligand binding domain expressed in COS7 cells cotransfected with Gal4-DBD assessed as transcriptional activation after 16 h...


Bioorg Med Chem Lett 19: 489-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.040
BindingDB Entry DOI: 10.7270/Q2GF0TC9
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50265921
PNG
(3-(4-((5,5,8,8-tetramethyl-5,6,7,8-tetrahydronapht...)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C#Cc1ccc(cc1)-c1nc(=O)o[nH]1
Show InChI InChI=1S/C24H24N2O2/c1-23(2)13-14-24(3,4)20-15-17(9-12-19(20)23)6-5-16-7-10-18(11-8-16)21-25-22(27)28-26-21/h7-12,15H,13-14H2,1-4H3,(H,25,26,27)
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n/an/an/an/a 91n/an/an/an/a



University of Lille

Curated by ChEMBL


Assay Description
Activity at human RARgamma ligand binding domain expressed in COS7 cells cotransfected with Gal4-DBD assessed as transcriptional activation after 16 ...


Bioorg Med Chem Lett 19: 489-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.040
BindingDB Entry DOI: 10.7270/Q2GF0TC9
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50265919
PNG
(3-(3-((4-tert-butylphenyl)ethynyl)phenyl)-1,2,4-ox...)
Show SMILES CC(C)(C)c1ccc(cc1)C#Cc1cccc(c1)-c1nc(=O)o[nH]1
Show InChI InChI=1S/C20H18N2O2/c1-20(2,3)17-11-9-14(10-12-17)7-8-15-5-4-6-16(13-15)18-21-19(23)24-22-18/h4-6,9-13H,1-3H3,(H,21,22,23)
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n/an/an/an/a>1.00E+3n/an/an/an/a



University of Lille

Curated by ChEMBL


Assay Description
Activity at human RARgamma ligand binding domain expressed in COS7 cells cotransfected with Gal4-DBD assessed as transcriptional activation after 16 ...


Bioorg Med Chem Lett 19: 489-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.040
BindingDB Entry DOI: 10.7270/Q2GF0TC9
More data for this
Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50265919
PNG
(3-(3-((4-tert-butylphenyl)ethynyl)phenyl)-1,2,4-ox...)
Show SMILES CC(C)(C)c1ccc(cc1)C#Cc1cccc(c1)-c1nc(=O)o[nH]1
Show InChI InChI=1S/C20H18N2O2/c1-20(2,3)17-11-9-14(10-12-17)7-8-15-5-4-6-16(13-15)18-21-19(23)24-22-18/h4-6,9-13H,1-3H3,(H,21,22,23)
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n/an/an/an/a>1.00E+3n/an/an/an/a



University of Lille

Curated by ChEMBL


Assay Description
Activity at human RARalpha ligand binding domain expressed in COS7 cells cotransfected with Gal4-DBD assessed as transcriptional activation after 16 ...


Bioorg Med Chem Lett 19: 489-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.040
BindingDB Entry DOI: 10.7270/Q2GF0TC9
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50265917
PNG
(4-((4-tert-butylphenyl)ethynyl)benzoic acid | CHEM...)
Show SMILES CC(C)(C)c1ccc(cc1)C#Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C19H18O2/c1-19(2,3)17-12-8-15(9-13-17)5-4-14-6-10-16(11-7-14)18(20)21/h6-13H,1-3H3,(H,20,21)
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n/an/an/an/a 10n/an/an/an/a



University of Lille

Curated by ChEMBL


Assay Description
Activity at human RARgamma ligand binding domain expressed in COS7 cells cotransfected with Gal4-DBD assessed as transcriptional activation after 16 ...


Bioorg Med Chem Lett 19: 489-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.040
BindingDB Entry DOI: 10.7270/Q2GF0TC9
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50265920
PNG
(4-((5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthal...)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C#Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C23H24O2/c1-22(2)13-14-23(3,4)20-15-17(9-12-19(20)22)6-5-16-7-10-18(11-8-16)21(24)25/h7-12,15H,13-14H2,1-4H3,(H,24,25)
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n/an/an/an/a 0.600n/an/an/an/a



University of Lille

Curated by ChEMBL


Assay Description
Activity at human RARgamma ligand binding domain expressed in COS7 cells cotransfected with Gal4-DBD assessed as transcriptional activation after 16 ...


Bioorg Med Chem Lett 19: 489-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.040
BindingDB Entry DOI: 10.7270/Q2GF0TC9
More data for this
Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50265951
PNG
(CHEMBL1657 | TAZAROTENE | US9963439, Tazarotene | ...)
Show SMILES CCOC(=O)c1ccc(nc1)C#Cc1ccc2SCCC(C)(C)c2c1
Show InChI InChI=1S/C21H21NO2S/c1-4-24-20(23)16-7-9-17(22-14-16)8-5-15-6-10-19-18(13-15)21(2,3)11-12-25-19/h6-7,9-10,13-14H,4,11-12H2,1-3H3
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n/an/an/an/a 63n/an/an/an/a



University of Lille

Curated by ChEMBL


Assay Description
Activity at human RARalpha ligand binding domain expressed in COS7 cells cotransfected with Gal4-DBD assessed as transcriptional activation after 16 ...


Bioorg Med Chem Lett 19: 489-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.040
BindingDB Entry DOI: 10.7270/Q2GF0TC9
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50265950
PNG
(5,5,8,8-tetramethyl-N-(4-(5-oxo-4,5-dihydro-1,2,4-...)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C(=O)Nc1ccc(cc1)-c1nc(=O)o[nH]1
Show InChI InChI=1S/C23H25N3O3/c1-22(2)11-12-23(3,4)18-13-15(7-10-17(18)22)20(27)24-16-8-5-14(6-9-16)19-25-21(28)29-26-19/h5-10,13H,11-12H2,1-4H3,(H,24,27)(H,25,26,28)
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n/an/an/an/a>1.00E+3n/an/an/an/a



University of Lille

Curated by ChEMBL


Assay Description
Activity at human RARbeta ligand binding domain expressed in COS7 cells cotransfected with Gal4-DBD assessed as transcriptional activation after 16 h...


Bioorg Med Chem Lett 19: 489-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.040
BindingDB Entry DOI: 10.7270/Q2GF0TC9
More data for this
Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50265950
PNG
(5,5,8,8-tetramethyl-N-(4-(5-oxo-4,5-dihydro-1,2,4-...)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C(=O)Nc1ccc(cc1)-c1nc(=O)o[nH]1
Show InChI InChI=1S/C23H25N3O3/c1-22(2)11-12-23(3,4)18-13-15(7-10-17(18)22)20(27)24-16-8-5-14(6-9-16)19-25-21(28)29-26-19/h5-10,13H,11-12H2,1-4H3,(H,24,27)(H,25,26,28)
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n/an/an/an/a 520n/an/an/an/a



University of Lille

Curated by ChEMBL


Assay Description
Activity at human RARalpha ligand binding domain expressed in COS7 cells cotransfected with Gal4-DBD assessed as transcriptional activation after 16 ...


Bioorg Med Chem Lett 19: 489-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.040
BindingDB Entry DOI: 10.7270/Q2GF0TC9
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%