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Compile Data Set for Download or QSAR

Found 405 hits with Last Name = 'ohrndorf' 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
Nuclear receptor subfamily 4 group A member 2


(Homo sapiens (Human))
BDBM50571375
PNG
(CHEMBL4877902)
Show SMILES Clc1ccc2cccnc2c1
PDB
MMDB

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n/an/a 8.90E+4n/an/an/an/an/an/a


TBA

Assay Description
Inverse agonist activity at Gal4-fused human Nurr1 LBD expressed in HEK293T cells co-expressing firefly luciferase assessed as luciferase activity in...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01779
BindingDB Entry DOI: 10.7270/Q2Z60SV3
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 2


(Homo sapiens (Human))
BDBM50571374
PNG
(CHEMBL4854711)
Show SMILES OC(=O)CCCNc1ccnc2cc(Cl)ccc12
PDB
MMDB

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n/an/a 1.32E+5n/an/an/an/an/an/a


TBA

Assay Description
Inverse agonist activity at Gal4-fused human Nurr1 LBD expressed in HEK293T cells co-expressing firefly luciferase assessed as luciferase activity in...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01779
BindingDB Entry DOI: 10.7270/Q2Z60SV3
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-beta


(Homo sapiens (Human))
BDBM50508793
PNG
(CHEMBL4554527)
Show SMILES Cc1ccc(OCc2ccc(cc2)C(O)=O)c(c1)-c1ccccc1
Show InChI InChI=1S/C21H18O3/c1-15-7-12-20(19(13-15)17-5-3-2-4-6-17)24-14-16-8-10-18(11-9-16)21(22)23/h2-13H,14H2,1H3,(H,22,23)
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n/an/an/an/a>3.00E+4n/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Agonist activity at human Gal4-DBD fused RXRbeta LBD expressed in HEK293T cells after 12 to 14 hrs by luciferase reporter gene assay


ACS Med Chem Lett 10: 203-208 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00551
BindingDB Entry DOI: 10.7270/Q27S7S37
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-beta


(Homo sapiens (Human))
BDBM50508794
PNG
(CHEMBL4435989)
Show SMILES COc1ccccc1OCc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C15H14O4/c1-18-13-4-2-3-5-14(13)19-10-11-6-8-12(9-7-11)15(16)17/h2-9H,10H2,1H3,(H,16,17)
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n/an/an/an/a>3.00E+4n/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Agonist activity at human Gal4-DBD fused RXRbeta LBD expressed in HEK293T cells after 12 to 14 hrs by luciferase reporter gene assay


ACS Med Chem Lett 10: 203-208 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00551
BindingDB Entry DOI: 10.7270/Q27S7S37
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50508795
PNG
(CHEMBL4563945)
Show SMILES OC(=O)c1ccc(COc2ccc(I)cc2)cc1
Show InChI InChI=1S/C14H11IO3/c15-12-5-7-13(8-6-12)18-9-10-1-3-11(4-2-10)14(16)17/h1-8H,9H2,(H,16,17)
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n/an/an/an/a 2.40E+4n/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Agonist activity at human Gal4-DBD fused RXRalpha LBD expressed in HEK293T cells after 12 to 14 hrs by luciferase reporter gene assay


ACS Med Chem Lett 10: 203-208 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00551
BindingDB Entry DOI: 10.7270/Q27S7S37
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-beta


(Homo sapiens (Human))
BDBM50508796
PNG
(CHEMBL4447727)
Show SMILES OC(=O)c1ccc(COc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C14H11ClO3/c15-12-5-7-13(8-6-12)18-9-10-1-3-11(4-2-10)14(16)17/h1-8H,9H2,(H,16,17)
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n/an/an/an/a>3.00E+4n/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Agonist activity at human Gal4-DBD fused RXRbeta LBD expressed in HEK293T cells after 12 to 14 hrs by luciferase reporter gene assay


ACS Med Chem Lett 10: 203-208 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00551
BindingDB Entry DOI: 10.7270/Q27S7S37
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50508797
PNG
(CHEMBL4514278)
Show SMILES CC(C)(C)c1ccc(OCc2ccc(cc2)C(O)=O)c(Cl)c1
Show InChI InChI=1S/C18H19ClO3/c1-18(2,3)14-8-9-16(15(19)10-14)22-11-12-4-6-13(7-5-12)17(20)21/h4-10H,11H2,1-3H3,(H,20,21)
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n/an/an/an/a 4.20E+3n/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Agonist activity at human Gal4-DBD fused RXRalpha LBD expressed in HEK293T cells after 12 to 14 hrs by luciferase reporter gene assay


ACS Med Chem Lett 10: 203-208 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00551
BindingDB Entry DOI: 10.7270/Q27S7S37
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50508798
PNG
(CHEMBL4570663)
Show SMILES CC(C)(C)c1ccccc1OCc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C18H20O3/c1-18(2,3)15-6-4-5-7-16(15)21-12-13-8-10-14(11-9-13)17(19)20/h4-11H,12H2,1-3H3,(H,19,20)
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n/an/an/an/a 160n/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Agonist activity at human Gal4-DBD fused RXRalpha LBD expressed in HEK293T cells after 12 to 14 hrs by luciferase reporter gene assay


ACS Med Chem Lett 10: 203-208 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00551
BindingDB Entry DOI: 10.7270/Q27S7S37
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-gamma


(Homo sapiens (Human))
BDBM50508799
PNG
(CHEMBL4519831)
Show SMILES OC(=O)Cc1ccc(COc2ccc3CCCc3c2)cc1
Show InChI InChI=1S/C18H18O3/c19-18(20)10-13-4-6-14(7-5-13)12-21-17-9-8-15-2-1-3-16(15)11-17/h4-9,11H,1-3,10,12H2,(H,19,20)
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n/an/an/an/a 2.20E+4n/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Agonist activity at human Gal4-DBD fused RXRgamma LBD expressed in HEK293T cells after 12 to 14 hrs by luciferase reporter gene assay


ACS Med Chem Lett 10: 203-208 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00551
BindingDB Entry DOI: 10.7270/Q27S7S37
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-gamma


(Homo sapiens (Human))
BDBM50508800
PNG
(CHEMBL4551159)
Show SMILES OC(=O)c1ccc(COc2ccccc2C(F)(F)F)cc1
Show InChI InChI=1S/C15H11F3O3/c16-15(17,18)12-3-1-2-4-13(12)21-9-10-5-7-11(8-6-10)14(19)20/h1-8H,9H2,(H,19,20)
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n/an/an/an/a 1.00E+4n/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Agonist activity at human Gal4-DBD fused RXRgamma LBD expressed in HEK293T cells after 12 to 14 hrs by luciferase reporter gene assay


ACS Med Chem Lett 10: 203-208 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00551
BindingDB Entry DOI: 10.7270/Q27S7S37
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-gamma


(Homo sapiens (Human))
BDBM50508801
PNG
(CHEMBL4464986)
Show SMILES CN(Cc1ccc(cc1)C(O)=O)c1ccc2CCCc2c1
Show InChI InChI=1S/C18H19NO2/c1-19(12-13-5-7-15(8-6-13)18(20)21)17-10-9-14-3-2-4-16(14)11-17/h5-11H,2-4,12H2,1H3,(H,20,21)
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n/an/an/an/a 3.00E+4n/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Agonist activity at human Gal4-DBD fused RXRgamma LBD expressed in HEK293T cells after 12 to 14 hrs by luciferase reporter gene assay


ACS Med Chem Lett 10: 203-208 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00551
BindingDB Entry DOI: 10.7270/Q27S7S37
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-gamma


(Homo sapiens (Human))
BDBM50508802
PNG
(CHEMBL4455253)
Show SMILES OC(=O)c1ccc(COc2ccccc2-c2ccccc2)cc1
Show InChI InChI=1S/C20H16O3/c21-20(22)17-12-10-15(11-13-17)14-23-19-9-5-4-8-18(19)16-6-2-1-3-7-16/h1-13H,14H2,(H,21,22)
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n/an/an/an/a 1.60E+3n/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Agonist activity at human Gal4-DBD fused RXRgamma LBD expressed in HEK293T cells after 12 to 14 hrs by luciferase reporter gene assay


ACS Med Chem Lett 10: 203-208 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00551
BindingDB Entry DOI: 10.7270/Q27S7S37
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-gamma


(Homo sapiens (Human))
BDBM50508803
PNG
(CHEMBL4513660)
Show SMILES OC(=O)c1ccc(COc2ccccc2OC(F)(F)F)cc1
Show InChI InChI=1S/C15H11F3O4/c16-15(17,18)22-13-4-2-1-3-12(13)21-9-10-5-7-11(8-6-10)14(19)20/h1-8H,9H2,(H,19,20)
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n/an/an/an/a 4.20E+3n/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Agonist activity at human Gal4-DBD fused RXRgamma LBD expressed in HEK293T cells after 12 to 14 hrs by luciferase reporter gene assay


ACS Med Chem Lett 10: 203-208 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00551
BindingDB Entry DOI: 10.7270/Q27S7S37
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-gamma


(Homo sapiens (Human))
BDBM50508794
PNG
(CHEMBL4435989)
Show SMILES COc1ccccc1OCc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C15H14O4/c1-18-13-4-2-3-5-14(13)19-10-11-6-8-12(9-7-11)15(16)17/h2-9H,10H2,1H3,(H,16,17)
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n/an/an/an/a>3.00E+4n/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Agonist activity at human Gal4-DBD fused RXRgamma LBD expressed in HEK293T cells after 12 to 14 hrs by luciferase reporter gene assay


ACS Med Chem Lett 10: 203-208 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00551
BindingDB Entry DOI: 10.7270/Q27S7S37
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-gamma


(Homo sapiens (Human))
BDBM50508804
PNG
(CHEMBL4582833)
Show SMILES Cc1ccccc1OCc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C15H14O3/c1-11-4-2-3-5-14(11)18-10-12-6-8-13(9-7-12)15(16)17/h2-9H,10H2,1H3,(H,16,17)
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n/an/an/an/a 1.90E+4n/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Agonist activity at human Gal4-DBD fused RXRgamma LBD expressed in HEK293T cells after 12 to 14 hrs by luciferase reporter gene assay


ACS Med Chem Lett 10: 203-208 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00551
BindingDB Entry DOI: 10.7270/Q27S7S37
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-gamma


(Homo sapiens (Human))
BDBM50508805
PNG
(CHEMBL4586350)
Show SMILES OC(=O)c1ccc(COc2cccc(Cl)c2)cc1
Show InChI InChI=1S/C14H11ClO3/c15-12-2-1-3-13(8-12)18-9-10-4-6-11(7-5-10)14(16)17/h1-8H,9H2,(H,16,17)
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n/an/an/an/a 4.40E+4n/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Agonist activity at human Gal4-DBD fused RXRgamma LBD expressed in HEK293T cells after 12 to 14 hrs by luciferase reporter gene assay


ACS Med Chem Lett 10: 203-208 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00551
BindingDB Entry DOI: 10.7270/Q27S7S37
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-gamma


(Homo sapiens (Human))
BDBM50508795
PNG
(CHEMBL4563945)
Show SMILES OC(=O)c1ccc(COc2ccc(I)cc2)cc1
Show InChI InChI=1S/C14H11IO3/c15-12-5-7-13(8-6-12)18-9-10-1-3-11(4-2-10)14(16)17/h1-8H,9H2,(H,16,17)
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n/an/an/an/a>3.00E+4n/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Agonist activity at human Gal4-DBD fused RXRgamma LBD expressed in HEK293T cells after 12 to 14 hrs by luciferase reporter gene assay


ACS Med Chem Lett 10: 203-208 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00551
BindingDB Entry DOI: 10.7270/Q27S7S37
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-gamma


(Homo sapiens (Human))
BDBM50508806
PNG
(CHEMBL4554741)
Show SMILES OC(=O)c1ccc(COc2ccc(Br)cc2)cc1
Show InChI InChI=1S/C14H11BrO3/c15-12-5-7-13(8-6-12)18-9-10-1-3-11(4-2-10)14(16)17/h1-8H,9H2,(H,16,17)
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n/an/an/an/a>3.00E+4n/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Agonist activity at human Gal4-DBD fused RXRgamma LBD expressed in HEK293T cells after 12 to 14 hrs by luciferase reporter gene assay


ACS Med Chem Lett 10: 203-208 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00551
BindingDB Entry DOI: 10.7270/Q27S7S37
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-gamma


(Homo sapiens (Human))
BDBM50508807
PNG
(CHEMBL4536425)
Show SMILES OC(=O)c1ccc(CNc2ccc3CCCc3c2)cc1
Show InChI InChI=1S/C17H17NO2/c19-17(20)14-6-4-12(5-7-14)11-18-16-9-8-13-2-1-3-15(13)10-16/h4-10,18H,1-3,11H2,(H,19,20)
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n/an/an/an/a>3.00E+4n/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Agonist activity at human Gal4-DBD fused RXRgamma LBD expressed in HEK293T cells after 12 to 14 hrs by luciferase reporter gene assay


ACS Med Chem Lett 10: 203-208 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00551
BindingDB Entry DOI: 10.7270/Q27S7S37
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-gamma


(Homo sapiens (Human))
BDBM50508808
PNG
(CHEMBL4574853)
Show SMILES CC(C)(C)c1ccc(OCc2ccc(cc2)C(O)=O)cc1
Show InChI InChI=1S/C18H20O3/c1-18(2,3)15-8-10-16(11-9-15)21-12-13-4-6-14(7-5-13)17(19)20/h4-11H,12H2,1-3H3,(H,19,20)
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n/an/an/an/a>3.00E+4n/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Agonist activity at human Gal4-DBD fused RXRgamma LBD expressed in HEK293T cells after 12 to 14 hrs by luciferase reporter gene assay


ACS Med Chem Lett 10: 203-208 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00551
BindingDB Entry DOI: 10.7270/Q27S7S37
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-beta


(Homo sapiens (Human))
BDBM50508809
PNG
(CHEMBL4513928)
Show SMILES OC(=O)CCc1ccc(COc2ccc3CCCc3c2)cc1
Show InChI InChI=1S/C19H20O3/c20-19(21)11-8-14-4-6-15(7-5-14)13-22-18-10-9-16-2-1-3-17(16)12-18/h4-7,9-10,12H,1-3,8,11,13H2,(H,20,21)
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n/an/an/an/a 1.00E+4n/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Agonist activity at human Gal4-DBD fused RXRbeta LBD expressed in HEK293T cells after 12 to 14 hrs by luciferase reporter gene assay


ACS Med Chem Lett 10: 203-208 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00551
BindingDB Entry DOI: 10.7270/Q27S7S37
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-beta


(Homo sapiens (Human))
BDBM50508799
PNG
(CHEMBL4519831)
Show SMILES OC(=O)Cc1ccc(COc2ccc3CCCc3c2)cc1
Show InChI InChI=1S/C18H18O3/c19-18(20)10-13-4-6-14(7-5-13)12-21-17-9-8-15-2-1-3-16(15)11-17/h4-9,11H,1-3,10,12H2,(H,19,20)
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n/an/an/an/a 1.80E+4n/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Agonist activity at human Gal4-DBD fused RXRbeta LBD expressed in HEK293T cells after 12 to 14 hrs by luciferase reporter gene assay


ACS Med Chem Lett 10: 203-208 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00551
BindingDB Entry DOI: 10.7270/Q27S7S37
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-beta


(Homo sapiens (Human))
BDBM50508797
PNG
(CHEMBL4514278)
Show SMILES CC(C)(C)c1ccc(OCc2ccc(cc2)C(O)=O)c(Cl)c1
Show InChI InChI=1S/C18H19ClO3/c1-18(2,3)14-8-9-16(15(19)10-14)22-11-12-4-6-13(7-5-12)17(20)21/h4-10H,11H2,1-3H3,(H,20,21)
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n/an/an/an/a 5.30E+3n/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Agonist activity at human Gal4-DBD fused RXRbeta LBD expressed in HEK293T cells after 12 to 14 hrs by luciferase reporter gene assay


ACS Med Chem Lett 10: 203-208 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00551
BindingDB Entry DOI: 10.7270/Q27S7S37
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-beta


(Homo sapiens (Human))
BDBM50508810
PNG
(CHEMBL4445748)
Show SMILES CC(C)(C)c1ccc(OCc2ccc(cc2)C(O)=O)c(c1)-c1ccccc1
Show InChI InChI=1S/C24H24O3/c1-24(2,3)20-13-14-22(21(15-20)18-7-5-4-6-8-18)27-16-17-9-11-19(12-10-17)23(25)26/h4-15H,16H2,1-3H3,(H,25,26)
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n/an/an/an/a>3.00E+4n/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Agonist activity at human Gal4-DBD fused RXRbeta LBD expressed in HEK293T cells after 12 to 14 hrs by luciferase reporter gene assay


ACS Med Chem Lett 10: 203-208 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00551
BindingDB Entry DOI: 10.7270/Q27S7S37
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-beta


(Homo sapiens (Human))
BDBM50508811
PNG
(CHEMBL4449565)
Show SMILES OC(=O)c1ccc(COc2cc3CCCc3cc2-c2ccccc2)cc1
Show InChI InChI=1S/C23H20O3/c24-23(25)18-11-9-16(10-12-18)15-26-22-14-20-8-4-7-19(20)13-21(22)17-5-2-1-3-6-17/h1-3,5-6,9-14H,4,7-8,15H2,(H,24,25)
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n/an/an/an/a>3.00E+4n/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Agonist activity at human Gal4-DBD fused RXRbeta LBD expressed in HEK293T cells after 12 to 14 hrs by luciferase reporter gene assay


ACS Med Chem Lett 10: 203-208 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00551
BindingDB Entry DOI: 10.7270/Q27S7S37
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-beta


(Homo sapiens (Human))
BDBM50508798
PNG
(CHEMBL4570663)
Show SMILES CC(C)(C)c1ccccc1OCc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C18H20O3/c1-18(2,3)15-6-4-5-7-16(15)21-12-13-8-10-14(11-9-13)17(19)20/h4-11H,12H2,1-3H3,(H,19,20)
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n/an/an/an/a 370n/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Agonist activity at human Gal4-DBD fused RXRbeta LBD expressed in HEK293T cells after 12 to 14 hrs by luciferase reporter gene assay


ACS Med Chem Lett 10: 203-208 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00551
BindingDB Entry DOI: 10.7270/Q27S7S37
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-beta


(Homo sapiens (Human))
BDBM50508803
PNG
(CHEMBL4513660)
Show SMILES OC(=O)c1ccc(COc2ccccc2OC(F)(F)F)cc1
Show InChI InChI=1S/C15H11F3O4/c16-15(17,18)22-13-4-2-1-3-12(13)21-9-10-5-7-11(8-6-10)14(19)20/h1-8H,9H2,(H,19,20)
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n/an/an/an/a 1.90E+3n/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Agonist activity at human Gal4-DBD fused RXRbeta LBD expressed in HEK293T cells after 12 to 14 hrs by luciferase reporter gene assay


ACS Med Chem Lett 10: 203-208 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00551
BindingDB Entry DOI: 10.7270/Q27S7S37
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-beta


(Homo sapiens (Human))
BDBM50508800
PNG
(CHEMBL4551159)
Show SMILES OC(=O)c1ccc(COc2ccccc2C(F)(F)F)cc1
Show InChI InChI=1S/C15H11F3O3/c16-15(17,18)12-3-1-2-4-13(12)21-9-10-5-7-11(8-6-10)14(19)20/h1-8H,9H2,(H,19,20)
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n/an/an/an/a 2.10E+3n/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Agonist activity at human Gal4-DBD fused RXRbeta LBD expressed in HEK293T cells after 12 to 14 hrs by luciferase reporter gene assay


ACS Med Chem Lett 10: 203-208 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00551
BindingDB Entry DOI: 10.7270/Q27S7S37
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-beta


(Homo sapiens (Human))
BDBM50508812
PNG
(CHEMBL4449526)
Show SMILES OC(=O)c1ccc(COc2ccccc2F)cc1
Show InChI InChI=1S/C14H11FO3/c15-12-3-1-2-4-13(12)18-9-10-5-7-11(8-6-10)14(16)17/h1-8H,9H2,(H,16,17)
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n/an/an/an/a>3.00E+4n/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Agonist activity at human Gal4-DBD fused RXRbeta LBD expressed in HEK293T cells after 12 to 14 hrs by luciferase reporter gene assay


ACS Med Chem Lett 10: 203-208 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00551
BindingDB Entry DOI: 10.7270/Q27S7S37
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-beta


(Homo sapiens (Human))
BDBM50508805
PNG
(CHEMBL4586350)
Show SMILES OC(=O)c1ccc(COc2cccc(Cl)c2)cc1
Show InChI InChI=1S/C14H11ClO3/c15-12-2-1-3-13(8-12)18-9-10-4-6-11(7-5-10)14(16)17/h1-8H,9H2,(H,16,17)
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n/an/an/an/a 2.00E+4n/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Agonist activity at human Gal4-DBD fused RXRbeta LBD expressed in HEK293T cells after 12 to 14 hrs by luciferase reporter gene assay


ACS Med Chem Lett 10: 203-208 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00551
BindingDB Entry DOI: 10.7270/Q27S7S37
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-beta


(Homo sapiens (Human))
BDBM50508813
PNG
(CHEMBL4580801)
Show SMILES CCc1ccc(OCc2ccc(cc2)C(O)=O)cc1
Show InChI InChI=1S/C16H16O3/c1-2-12-5-9-15(10-6-12)19-11-13-3-7-14(8-4-13)16(17)18/h3-10H,2,11H2,1H3,(H,17,18)
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n/an/an/an/a 3.50E+4n/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Agonist activity at human Gal4-DBD fused RXRbeta LBD expressed in HEK293T cells after 12 to 14 hrs by luciferase reporter gene assay


ACS Med Chem Lett 10: 203-208 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00551
BindingDB Entry DOI: 10.7270/Q27S7S37
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-beta


(Homo sapiens (Human))
BDBM50508795
PNG
(CHEMBL4563945)
Show SMILES OC(=O)c1ccc(COc2ccc(I)cc2)cc1
Show InChI InChI=1S/C14H11IO3/c15-12-5-7-13(8-6-12)18-9-10-1-3-11(4-2-10)14(16)17/h1-8H,9H2,(H,16,17)
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n/an/an/an/a 2.90E+4n/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Agonist activity at human Gal4-DBD fused RXRbeta LBD expressed in HEK293T cells after 12 to 14 hrs by luciferase reporter gene assay


ACS Med Chem Lett 10: 203-208 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00551
BindingDB Entry DOI: 10.7270/Q27S7S37
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-beta


(Homo sapiens (Human))
BDBM50508814
PNG
(CHEMBL4527491)
Show SMILES OC(=O)c1ccc(OCc2ccc3CCCc3c2)cc1
Show InChI InChI=1S/C17H16O3/c18-17(19)14-6-8-16(9-7-14)20-11-12-4-5-13-2-1-3-15(13)10-12/h4-10H,1-3,11H2,(H,18,19)
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n/an/an/an/a 2.10E+4n/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Agonist activity at human Gal4-DBD fused RXRbeta LBD expressed in HEK293T cells after 12 to 14 hrs by luciferase reporter gene assay


ACS Med Chem Lett 10: 203-208 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00551
BindingDB Entry DOI: 10.7270/Q27S7S37
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-beta


(Homo sapiens (Human))
BDBM50508807
PNG
(CHEMBL4536425)
Show SMILES OC(=O)c1ccc(CNc2ccc3CCCc3c2)cc1
Show InChI InChI=1S/C17H17NO2/c19-17(20)14-6-4-12(5-7-14)11-18-16-9-8-13-2-1-3-15(13)10-16/h4-10,18H,1-3,11H2,(H,19,20)
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n/an/an/an/a>3.00E+4n/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Agonist activity at human Gal4-DBD fused RXRbeta LBD expressed in HEK293T cells after 12 to 14 hrs by luciferase reporter gene assay


ACS Med Chem Lett 10: 203-208 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00551
BindingDB Entry DOI: 10.7270/Q27S7S37
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-beta


(Homo sapiens (Human))
BDBM50508808
PNG
(CHEMBL4574853)
Show SMILES CC(C)(C)c1ccc(OCc2ccc(cc2)C(O)=O)cc1
Show InChI InChI=1S/C18H20O3/c1-18(2,3)15-8-10-16(11-9-15)21-12-13-4-6-14(7-5-13)17(19)20/h4-11H,12H2,1-3H3,(H,19,20)
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n/an/an/an/a 8.90E+3n/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Agonist activity at human Gal4-DBD fused RXRbeta LBD expressed in HEK293T cells after 12 to 14 hrs by luciferase reporter gene assay


ACS Med Chem Lett 10: 203-208 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00551
BindingDB Entry DOI: 10.7270/Q27S7S37
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-beta


(Homo sapiens (Human))
BDBM50508815
PNG
(CHEMBL1381178)
Show SMILES OC(=O)c1ccc(COc2ccc3CCCc3c2)cc1
Show InChI InChI=1S/C17H16O3/c18-17(19)14-6-4-12(5-7-14)11-20-16-9-8-13-2-1-3-15(13)10-16/h4-10H,1-3,11H2,(H,18,19)
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n/an/an/an/a 8.80E+3n/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Agonist activity at human Gal4-DBD fused RXRbeta LBD expressed in HEK293T cells after 12 to 14 hrs by luciferase reporter gene assay


ACS Med Chem Lett 10: 203-208 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00551
BindingDB Entry DOI: 10.7270/Q27S7S37
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50508816
PNG
(CHEMBL4473128)
Show SMILES OC(=O)c1ccccc1COc1ccc2CCCc2c1
Show InChI InChI=1S/C17H16O3/c18-17(19)16-7-2-1-4-14(16)11-20-15-9-8-12-5-3-6-13(12)10-15/h1-2,4,7-10H,3,5-6,11H2,(H,18,19)
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n/an/an/an/a>3.00E+4n/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Agonist activity at human Gal4-DBD fused RXRalpha LBD expressed in HEK293T cells after 12 to 14 hrs by luciferase reporter gene assay


ACS Med Chem Lett 10: 203-208 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00551
BindingDB Entry DOI: 10.7270/Q27S7S37
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50508817
PNG
(CHEMBL4441734)
Show SMILES OC(=O)c1ccc(COc2ccc(cc2C(F)(F)F)C(F)(F)F)cc1
Show InChI InChI=1S/C16H10F6O3/c17-15(18,19)11-5-6-13(12(7-11)16(20,21)22)25-8-9-1-3-10(4-2-9)14(23)24/h1-7H,8H2,(H,23,24)
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n/an/an/an/a 6.00E+3n/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Agonist activity at human Gal4-DBD fused RXRalpha LBD expressed in HEK293T cells after 12 to 14 hrs by luciferase reporter gene assay


ACS Med Chem Lett 10: 203-208 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00551
BindingDB Entry DOI: 10.7270/Q27S7S37
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50508811
PNG
(CHEMBL4449565)
Show SMILES OC(=O)c1ccc(COc2cc3CCCc3cc2-c2ccccc2)cc1
Show InChI InChI=1S/C23H20O3/c24-23(25)18-11-9-16(10-12-18)15-26-22-14-20-8-4-7-19(20)13-21(22)17-5-2-1-3-6-17/h1-3,5-6,9-14H,4,7-8,15H2,(H,24,25)
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n/an/an/an/a>3.00E+4n/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Agonist activity at human Gal4-DBD fused RXRalpha LBD expressed in HEK293T cells after 12 to 14 hrs by luciferase reporter gene assay


ACS Med Chem Lett 10: 203-208 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00551
BindingDB Entry DOI: 10.7270/Q27S7S37
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50508818
PNG
(CHEMBL4441032)
Show SMILES OC(=O)c1ccc(OCc2cccc(Cl)c2)cc1
Show InChI InChI=1S/C14H11ClO3/c15-12-3-1-2-10(8-12)9-18-13-6-4-11(5-7-13)14(16)17/h1-8H,9H2,(H,16,17)
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n/an/an/an/a 2.70E+4n/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Agonist activity at human Gal4-DBD fused RXRalpha LBD expressed in HEK293T cells after 12 to 14 hrs by luciferase reporter gene assay


ACS Med Chem Lett 10: 203-208 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00551
BindingDB Entry DOI: 10.7270/Q27S7S37
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50508802
PNG
(CHEMBL4455253)
Show SMILES OC(=O)c1ccc(COc2ccccc2-c2ccccc2)cc1
Show InChI InChI=1S/C20H16O3/c21-20(22)17-12-10-15(11-13-17)14-23-19-9-5-4-8-18(19)16-6-2-1-3-7-16/h1-13H,14H2,(H,21,22)
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n/an/an/an/a 280n/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Agonist activity at human Gal4-DBD fused RXRalpha LBD expressed in HEK293T cells after 12 to 14 hrs by luciferase reporter gene assay


ACS Med Chem Lett 10: 203-208 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00551
BindingDB Entry DOI: 10.7270/Q27S7S37
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50508794
PNG
(CHEMBL4435989)
Show SMILES COc1ccccc1OCc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C15H14O4/c1-18-13-4-2-3-5-14(13)19-10-11-6-8-12(9-7-11)15(16)17/h2-9H,10H2,1H3,(H,16,17)
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n/an/an/an/a 2.90E+4n/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Agonist activity at human Gal4-DBD fused RXRalpha LBD expressed in HEK293T cells after 12 to 14 hrs by luciferase reporter gene assay


ACS Med Chem Lett 10: 203-208 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00551
BindingDB Entry DOI: 10.7270/Q27S7S37
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50508800
PNG
(CHEMBL4551159)
Show SMILES OC(=O)c1ccc(COc2ccccc2C(F)(F)F)cc1
Show InChI InChI=1S/C15H11F3O3/c16-15(17,18)12-3-1-2-4-13(12)21-9-10-5-7-11(8-6-10)14(19)20/h1-8H,9H2,(H,19,20)
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n/an/an/an/a 1.10E+3n/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Agonist activity at human Gal4-DBD fused RXRalpha LBD expressed in HEK293T cells after 12 to 14 hrs by luciferase reporter gene assay


ACS Med Chem Lett 10: 203-208 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00551
BindingDB Entry DOI: 10.7270/Q27S7S37
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50508819
PNG
(CHEMBL1423704)
Show SMILES OC(=O)c1ccc(COc2ccccc2Cl)cc1
Show InChI InChI=1S/C14H11ClO3/c15-12-3-1-2-4-13(12)18-9-10-5-7-11(8-6-10)14(16)17/h1-8H,9H2,(H,16,17)
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n/an/an/an/a 9.90E+3n/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Agonist activity at human Gal4-DBD fused RXRalpha LBD expressed in HEK293T cells after 12 to 14 hrs by luciferase reporter gene assay


ACS Med Chem Lett 10: 203-208 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00551
BindingDB Entry DOI: 10.7270/Q27S7S37
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50508805
PNG
(CHEMBL4586350)
Show SMILES OC(=O)c1ccc(COc2cccc(Cl)c2)cc1
Show InChI InChI=1S/C14H11ClO3/c15-12-2-1-3-13(8-12)18-9-10-4-6-11(7-5-10)14(16)17/h1-8H,9H2,(H,16,17)
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n/an/an/an/a 1.70E+4n/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Agonist activity at human Gal4-DBD fused RXRalpha LBD expressed in HEK293T cells after 12 to 14 hrs by luciferase reporter gene assay


ACS Med Chem Lett 10: 203-208 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00551
BindingDB Entry DOI: 10.7270/Q27S7S37
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50508820
PNG
(CHEMBL4553859)
Show SMILES CC(C)c1ccc(OCc2ccc(cc2)C(O)=O)cc1
Show InChI InChI=1S/C17H18O3/c1-12(2)14-7-9-16(10-8-14)20-11-13-3-5-15(6-4-13)17(18)19/h3-10,12H,11H2,1-2H3,(H,18,19)
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n/an/an/an/a 1.60E+4n/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Agonist activity at human Gal4-DBD fused RXRalpha LBD expressed in HEK293T cells after 12 to 14 hrs by luciferase reporter gene assay


ACS Med Chem Lett 10: 203-208 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00551
BindingDB Entry DOI: 10.7270/Q27S7S37
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50508821
PNG
(CHEMBL4443020)
Show SMILES OC(=O)c1ccc(COc2ccccc2)cc1
Show InChI InChI=1S/C14H12O3/c15-14(16)12-8-6-11(7-9-12)10-17-13-4-2-1-3-5-13/h1-9H,10H2,(H,15,16)
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n/an/an/an/a>3.00E+4n/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Agonist activity at human Gal4-DBD fused RXRalpha LBD expressed in HEK293T cells after 12 to 14 hrs by luciferase reporter gene assay


ACS Med Chem Lett 10: 203-208 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00551
BindingDB Entry DOI: 10.7270/Q27S7S37
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50508814
PNG
(CHEMBL4527491)
Show SMILES OC(=O)c1ccc(OCc2ccc3CCCc3c2)cc1
Show InChI InChI=1S/C17H16O3/c18-17(19)14-6-8-16(9-7-14)20-11-12-4-5-13-2-1-3-15(13)10-12/h4-10H,1-3,11H2,(H,18,19)
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n/an/an/an/a>3.00E+4n/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Agonist activity at human Gal4-DBD fused RXRalpha LBD expressed in HEK293T cells after 12 to 14 hrs by luciferase reporter gene assay


ACS Med Chem Lett 10: 203-208 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00551
BindingDB Entry DOI: 10.7270/Q27S7S37
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50508807
PNG
(CHEMBL4536425)
Show SMILES OC(=O)c1ccc(CNc2ccc3CCCc3c2)cc1
Show InChI InChI=1S/C17H17NO2/c19-17(20)14-6-4-12(5-7-14)11-18-16-9-8-13-2-1-3-15(13)10-16/h4-10,18H,1-3,11H2,(H,19,20)
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n/an/an/an/a>3.00E+4n/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Agonist activity at human Gal4-DBD fused RXRalpha LBD expressed in HEK293T cells after 12 to 14 hrs by luciferase reporter gene assay


ACS Med Chem Lett 10: 203-208 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00551
BindingDB Entry DOI: 10.7270/Q27S7S37
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50508808
PNG
(CHEMBL4574853)
Show SMILES CC(C)(C)c1ccc(OCc2ccc(cc2)C(O)=O)cc1
Show InChI InChI=1S/C18H20O3/c1-18(2,3)15-8-10-16(11-9-15)21-12-13-4-6-14(7-5-13)17(19)20/h4-11H,12H2,1-3H3,(H,19,20)
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n/an/an/an/a 7.80E+3n/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Agonist activity at human Gal4-DBD fused RXRalpha LBD expressed in HEK293T cells after 12 to 14 hrs by luciferase reporter gene assay


ACS Med Chem Lett 10: 203-208 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00551
BindingDB Entry DOI: 10.7270/Q27S7S37
More data for this
Ligand-Target Pair
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