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PubMed code 29901398

Compile data set for download or QSAR
Found 29 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/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))		BDBM50340649
PNG
(CHEMBL4163199)
Show SMILES Cc1c(C)n(C[C@H]2CC[C@@H](CC2)C(O)=O)c2CCC(F)(F)Cc12 |r,wU:9.12,wD:6.5,(54.45,-4.82,;54.93,-6.28,;54.03,-7.53,;52.49,-7.54,;54.94,-8.78,;54.48,-10.25,;55.52,-11.38,;55.05,-12.85,;56.09,-13.98,;57.59,-13.65,;58.06,-12.18,;57.02,-11.04,;58.63,-14.79,;60.13,-14.46,;58.16,-16.25,;56.41,-8.3,;57.75,-9.06,;59.08,-8.3,;59.08,-6.75,;59.84,-5.41,;60.62,-6.74,;57.75,-5.97,;56.4,-6.75,)|
Show InChI InChI=1S/C18H14N4O3S/c1-25-12-8-6-11(7-9-12)22-15(23)10-26-18(22)21-20-16-13-4-2-3-5-14(13)19-17(16)24/h2-9H,10H2,1H3,(H,19,20,24)/b21-18-
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n/an/an/an/a 2.40E+4n/an/an/an/a



Swiss Federal Institute of Technology (ETH)

Curated by ChEMBL


Assay Description
Transactivation of human Gal4-fused RXRalpha LBD expressed in HEK293T cells after 12 to 14 hrs by dual-glo luciferase assay

J Med Chem 61: 5442-5447 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00494
BindingDB Entry DOI: 10.7270/Q2J38W5N
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-gamma


(Homo sapiens (Human))		BDBM50340649
PNG
(CHEMBL4163199)
Show SMILES Cc1c(C)n(C[C@H]2CC[C@@H](CC2)C(O)=O)c2CCC(F)(F)Cc12 |r,wU:9.12,wD:6.5,(54.45,-4.82,;54.93,-6.28,;54.03,-7.53,;52.49,-7.54,;54.94,-8.78,;54.48,-10.25,;55.52,-11.38,;55.05,-12.85,;56.09,-13.98,;57.59,-13.65,;58.06,-12.18,;57.02,-11.04,;58.63,-14.79,;60.13,-14.46,;58.16,-16.25,;56.41,-8.3,;57.75,-9.06,;59.08,-8.3,;59.08,-6.75,;59.84,-5.41,;60.62,-6.74,;57.75,-5.97,;56.4,-6.75,)|
Show InChI InChI=1S/C18H14N4O3S/c1-25-12-8-6-11(7-9-12)22-15(23)10-26-18(22)21-20-16-13-4-2-3-5-14(13)19-17(16)24/h2-9H,10H2,1H3,(H,19,20,24)/b21-18-
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n/an/an/an/a 5.00E+4n/an/an/an/a



Swiss Federal Institute of Technology (ETH)

Curated by ChEMBL


Assay Description
Transactivation of human Gal4-fused RXRgamma LBD expressed in HEK293T cells after 12 to 14 hrs by dual-glo luciferase assay

J Med Chem 61: 5442-5447 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00494
BindingDB Entry DOI: 10.7270/Q2J38W5N
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-beta


(Homo sapiens (Human))		BDBM11994
PNG
(2-{[4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]sulfanyl...)
Show SMILES Cc1ccc(C)n1-c1ccc(SCC(O)=O)cc1
Show InChI InChI=1S/C14H15NO2S/c1-10-3-4-11(2)15(10)12-5-7-13(8-6-12)18-9-14(16)17/h3-8H,9H2,1-2H3,(H,16,17)
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n/an/an/an/a>3.00E+4n/an/an/an/a



Swiss Federal Institute of Technology (ETH)

Curated by ChEMBL


Assay Description
Transactivation of human Gal4-fused RXRbeta LBD expressed in HEK293T cells after 12 to 14 hrs by dual-glo luciferase assay

J Med Chem 61: 5442-5447 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00494
BindingDB Entry DOI: 10.7270/Q2J38W5N
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-gamma


(Homo sapiens (Human))		BDBM50341382
PNG
(CHEMBL4173918)
Show SMILES Cc1c(C)n(c2CCC(F)(F)Cc12)-c1ccc(CCCC(O)=O)cc1
Show InChI InChI=1S/C20H23F2NO2/c1-13-14(2)23(18-10-11-20(21,22)12-17(13)18)16-8-6-15(7-9-16)4-3-5-19(24)25/h6-9H,3-5,10-12H2,1-2H3,(H,24,25)
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n/an/an/an/a 2.50E+3n/an/an/an/a



Swiss Federal Institute of Technology (ETH)

Curated by ChEMBL


Assay Description
Transactivation of human Gal4-fused RXRgamma LBD expressed in HEK293T cells after 12 to 14 hrs by dual-glo luciferase assay

J Med Chem 61: 5442-5447 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00494
BindingDB Entry DOI: 10.7270/Q2J38W5N
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-gamma


(Homo sapiens (Human))		BDBM50341379
PNG
(CHEMBL4167506)
Show SMILES Cc1ccc(C)n1-c1ccc(CCCC(O)=O)cc1
Show InChI InChI=1S/C16H19NO2/c1-12-6-7-13(2)17(12)15-10-8-14(9-11-15)4-3-5-16(18)19/h6-11H,3-5H2,1-2H3,(H,18,19)
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n/an/an/an/a 2.48E+4n/an/an/an/a



Swiss Federal Institute of Technology (ETH)

Curated by ChEMBL


Assay Description
Transactivation of human Gal4-fused RXRgamma LBD expressed in HEK293T cells after 12 to 14 hrs by dual-glo luciferase assay

J Med Chem 61: 5442-5447 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00494
BindingDB Entry DOI: 10.7270/Q2J38W5N
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))		BDBM50341379
PNG
(CHEMBL4167506)
Show SMILES Cc1ccc(C)n1-c1ccc(CCCC(O)=O)cc1
Show InChI InChI=1S/C16H19NO2/c1-12-6-7-13(2)17(12)15-10-8-14(9-11-15)4-3-5-16(18)19/h6-11H,3-5H2,1-2H3,(H,18,19)
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n/an/an/an/a 4.30E+3n/an/an/an/a



Swiss Federal Institute of Technology (ETH)

Curated by ChEMBL


Assay Description
Transactivation of human Gal4-fused RXRalpha LBD expressed in HEK293T cells after 12 to 14 hrs by dual-glo luciferase assay

J Med Chem 61: 5442-5447 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00494
BindingDB Entry DOI: 10.7270/Q2J38W5N
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))		BDBM50341378
PNG
(CHEBI:9921 | Valerenic Acid)
Show SMILES [H][C@]12CCC(C)=C1[C@@H](CC[C@H]2C)\C=C(/C)C(O)=O |c:5|
Show InChI InChI=1S/C15H22O2/c1-9-4-6-12(8-11(3)15(16)17)14-10(2)5-7-13(9)14/h8-9,12-13H,4-7H2,1-3H3,(H,16,17)/b11-8+/t9-,12+,13-/m1/s1
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n/an/an/an/a 2.70E+4n/an/an/an/a



Swiss Federal Institute of Technology (ETH)

Curated by ChEMBL


Assay Description
Transactivation of human Gal4-fused RXRalpha LBD expressed in HEK293T cells after 12 to 14 hrs by dual-glo luciferase assay

J Med Chem 61: 5442-5447 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00494
BindingDB Entry DOI: 10.7270/Q2J38W5N
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-beta


(Homo sapiens (Human))		BDBM50143600
PNG
(CHEBI:29571 | Dehydroabietic Acid)
Show SMILES [H][C@@]12CCc3cc(ccc3[C@@]1(C)CCC[C@@]2(C)C(O)=O)C(C)C |r|
Show InChI InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1
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n/an/an/an/a 4.20E+4n/an/an/an/a



Swiss Federal Institute of Technology (ETH)

Curated by ChEMBL


Assay Description
Transactivation of human Gal4-fused RXRbeta LBD expressed in HEK293T cells after 12 to 14 hrs by dual-glo luciferase assay

J Med Chem 61: 5442-5447 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00494
BindingDB Entry DOI: 10.7270/Q2J38W5N
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-gamma


(Homo sapiens (Human))		BDBM50340650
PNG
(CHEMBL4174952)
Show SMILES Cc1c(C)n(c2CCC(F)(F)Cc12)-c1ccc(C)c(O)c1
Show InChI InChI=1S/C11H8N4O2S/c16-8-5-18-11(13-8)15-14-9-6-3-1-2-4-7(6)12-10(9)17/h1-5,16H,(H,13,15)(H,12,14,17)
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n/an/an/an/a 2.72E+4n/an/an/an/a



Swiss Federal Institute of Technology (ETH)

Curated by ChEMBL


Assay Description
Transactivation of human Gal4-fused RXRgamma LBD expressed in HEK293T cells after 12 to 14 hrs by dual-glo luciferase assay

J Med Chem 61: 5442-5447 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00494
BindingDB Entry DOI: 10.7270/Q2J38W5N
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-beta


(Homo sapiens (Human))		BDBM50341379
PNG
(CHEMBL4167506)
Show SMILES Cc1ccc(C)n1-c1ccc(CCCC(O)=O)cc1
Show InChI InChI=1S/C16H19NO2/c1-12-6-7-13(2)17(12)15-10-8-14(9-11-15)4-3-5-16(18)19/h6-11H,3-5H2,1-2H3,(H,18,19)
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n/an/an/an/a 6.60E+3n/an/an/an/a



Swiss Federal Institute of Technology (ETH)

Curated by ChEMBL


Assay Description
Transactivation of human Gal4-fused RXRbeta LBD expressed in HEK293T cells after 12 to 14 hrs by dual-glo luciferase assay

J Med Chem 61: 5442-5447 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00494
BindingDB Entry DOI: 10.7270/Q2J38W5N
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-gamma


(Homo sapiens (Human))		BDBM50341378
PNG
(CHEBI:9921 | Valerenic Acid)
Show SMILES [H][C@]12CCC(C)=C1[C@@H](CC[C@H]2C)\C=C(/C)C(O)=O |c:5|
Show InChI InChI=1S/C15H22O2/c1-9-4-6-12(8-11(3)15(16)17)14-10(2)5-7-13(9)14/h8-9,12-13H,4-7H2,1-3H3,(H,16,17)/b11-8+/t9-,12+,13-/m1/s1
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n/an/an/an/a 4.30E+4n/an/an/an/a



Swiss Federal Institute of Technology (ETH)

Curated by ChEMBL


Assay Description
Transactivation of human Gal4-fused RXRgamma LBD expressed in HEK293T cells after 12 to 14 hrs by dual-glo luciferase assay

J Med Chem 61: 5442-5447 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00494
BindingDB Entry DOI: 10.7270/Q2J38W5N
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))		BDBM50341381
PNG
(CHEMBL4171515)
Show SMILES Cc1c(C)n(c2CCC(F)(F)Cc12)-c1ccc(CC(O)=O)cc1
Show InChI InChI=1S/C18H19F2NO2/c1-11-12(2)21(16-7-8-18(19,20)10-15(11)16)14-5-3-13(4-6-14)9-17(22)23/h3-6H,7-10H2,1-2H3,(H,22,23)
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n/an/an/an/a 970n/an/an/an/a



Swiss Federal Institute of Technology (ETH)

Curated by ChEMBL


Assay Description
Transactivation of human Gal4-fused RXRalpha LBD expressed in HEK293T cells after 12 to 14 hrs by dual-glo luciferase assay

J Med Chem 61: 5442-5447 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00494
BindingDB Entry DOI: 10.7270/Q2J38W5N
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-gamma


(Homo sapiens (Human))		BDBM50340651
PNG
(CHEBI:6039 | Isopimaric Acid | acs.jmedchem.1c0040...)
Show SMILES [H][C@]12CC[C@@](C)(CC1=CC[C@@]1([H])[C@@](C)(CCC[C@]21C)C(O)=O)C=C |r,c:8|
Show InChI InChI=1S/C19H17N5O2S/c1-23(2)12-7-9-13(10-8-12)24-16(25)11-27-19(24)22-21-17-14-5-3-4-6-15(14)20-18(17)26/h3-10H,11H2,1-2H3,(H,20,21,26)/b22-19-
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n/an/an/an/a 3.30E+4n/an/an/an/a



Swiss Federal Institute of Technology (ETH)

Curated by ChEMBL


Assay Description
Transactivation of human Gal4-fused RXRgamma LBD expressed in HEK293T cells after 12 to 14 hrs by dual-glo luciferase assay

J Med Chem 61: 5442-5447 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00494
BindingDB Entry DOI: 10.7270/Q2J38W5N
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-gamma


(Homo sapiens (Human))		BDBM50341380
PNG
(CHEMBL4163622)
Show SMILES [#6]\[#6](-[#6])=[#6](/[#6])-c1ccc(cc1)-c1cnc(-[#6]-[#6]-[#6](-[#8])=O)o1
Show InChI InChI=1S/C17H19NO3/c1-11(2)12(3)13-4-6-14(7-5-13)15-10-18-16(21-15)8-9-17(19)20/h4-7,10H,8-9H2,1-3H3,(H,19,20)
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n/an/an/an/a 1.40E+4n/an/an/an/a



Swiss Federal Institute of Technology (ETH)

Curated by ChEMBL


Assay Description
Transactivation of human Gal4-fused RXRgamma LBD expressed in HEK293T cells after 12 to 14 hrs by dual-glo luciferase assay

J Med Chem 61: 5442-5447 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00494
BindingDB Entry DOI: 10.7270/Q2J38W5N
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))		BDBM11994
PNG
(2-{[4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]sulfanyl...)
Show SMILES Cc1ccc(C)n1-c1ccc(SCC(O)=O)cc1
Show InChI InChI=1S/C14H15NO2S/c1-10-3-4-11(2)15(10)12-5-7-13(8-6-12)18-9-14(16)17/h3-8H,9H2,1-2H3,(H,16,17)
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n/an/an/an/a>3.00E+4n/an/an/an/a



Swiss Federal Institute of Technology (ETH)

Curated by ChEMBL


Assay Description
Transactivation of human Gal4-fused RXRalpha LBD expressed in HEK293T cells after 12 to 14 hrs by dual-glo luciferase assay

J Med Chem 61: 5442-5447 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00494
BindingDB Entry DOI: 10.7270/Q2J38W5N
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-beta


(Homo sapiens (Human))		BDBM50341380
PNG
(CHEMBL4163622)
Show SMILES [#6]\[#6](-[#6])=[#6](/[#6])-c1ccc(cc1)-c1cnc(-[#6]-[#6]-[#6](-[#8])=O)o1
Show InChI InChI=1S/C17H19NO3/c1-11(2)12(3)13-4-6-14(7-5-13)15-10-18-16(21-15)8-9-17(19)20/h4-7,10H,8-9H2,1-3H3,(H,19,20)
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n/an/an/an/a 1.60E+4n/an/an/an/a



Swiss Federal Institute of Technology (ETH)

Curated by ChEMBL


Assay Description
Transactivation of human Gal4-fused RXRbeta LBD expressed in HEK293T cells after 12 to 14 hrs by dual-glo luciferase assay

J Med Chem 61: 5442-5447 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00494
BindingDB Entry DOI: 10.7270/Q2J38W5N
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-beta


(Homo sapiens (Human))		BDBM50341378
PNG
(CHEBI:9921 | Valerenic Acid)
Show SMILES [H][C@]12CCC(C)=C1[C@@H](CC[C@H]2C)\C=C(/C)C(O)=O |c:5|
Show InChI InChI=1S/C15H22O2/c1-9-4-6-12(8-11(3)15(16)17)14-10(2)5-7-13(9)14/h8-9,12-13H,4-7H2,1-3H3,(H,16,17)/b11-8+/t9-,12+,13-/m1/s1
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n/an/an/an/a 5.20E+3n/an/an/an/a



Swiss Federal Institute of Technology (ETH)

Curated by ChEMBL


Assay Description
Transactivation of human Gal4-fused RXRbeta LBD expressed in HEK293T cells after 12 to 14 hrs by dual-glo luciferase assay

J Med Chem 61: 5442-5447 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00494
BindingDB Entry DOI: 10.7270/Q2J38W5N
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))		BDBM50341380
PNG
(CHEMBL4163622)
Show SMILES [#6]\[#6](-[#6])=[#6](/[#6])-c1ccc(cc1)-c1cnc(-[#6]-[#6]-[#6](-[#8])=O)o1
Show InChI InChI=1S/C17H19NO3/c1-11(2)12(3)13-4-6-14(7-5-13)15-10-18-16(21-15)8-9-17(19)20/h4-7,10H,8-9H2,1-3H3,(H,19,20)
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n/an/an/an/a 8.00E+3n/an/an/an/a



Swiss Federal Institute of Technology (ETH)

Curated by ChEMBL


Assay Description
Transactivation of human Gal4-fused RXRalpha LBD expressed in HEK293T cells after 12 to 14 hrs by dual-glo luciferase assay

J Med Chem 61: 5442-5447 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00494
BindingDB Entry DOI: 10.7270/Q2J38W5N
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-beta


(Homo sapiens (Human))		BDBM50341381
PNG
(CHEMBL4171515)
Show SMILES Cc1c(C)n(c2CCC(F)(F)Cc12)-c1ccc(CC(O)=O)cc1
Show InChI InChI=1S/C18H19F2NO2/c1-11-12(2)21(16-7-8-18(19,20)10-15(11)16)14-5-3-13(4-6-14)9-17(22)23/h3-6H,7-10H2,1-2H3,(H,22,23)
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n/an/an/an/a 4.50E+3n/an/an/an/a



Swiss Federal Institute of Technology (ETH)

Curated by ChEMBL


Assay Description
Transactivation of human Gal4-fused RXRbeta LBD expressed in HEK293T cells after 12 to 14 hrs by dual-glo luciferase assay

J Med Chem 61: 5442-5447 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00494
BindingDB Entry DOI: 10.7270/Q2J38W5N
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))		BDBM50341382
PNG
(CHEMBL4173918)
Show SMILES Cc1c(C)n(c2CCC(F)(F)Cc12)-c1ccc(CCCC(O)=O)cc1
Show InChI InChI=1S/C20H23F2NO2/c1-13-14(2)23(18-10-11-20(21,22)12-17(13)18)16-8-6-15(7-9-16)4-3-5-19(24)25/h6-9H,3-5,10-12H2,1-2H3,(H,24,25)
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n/an/an/an/a 9.10E+3n/an/an/an/a



Swiss Federal Institute of Technology (ETH)

Curated by ChEMBL


Assay Description
Transactivation of human Gal4-fused RXRalpha LBD expressed in HEK293T cells after 12 to 14 hrs by dual-glo luciferase assay

J Med Chem 61: 5442-5447 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00494
BindingDB Entry DOI: 10.7270/Q2J38W5N
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-gamma


(Homo sapiens (Human))		BDBM50143600
PNG
(CHEBI:29571 | Dehydroabietic Acid)
Show SMILES [H][C@@]12CCc3cc(ccc3[C@@]1(C)CCC[C@@]2(C)C(O)=O)C(C)C |r|
Show InChI InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1
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n/an/an/an/a 4.20E+4n/an/an/an/a



Swiss Federal Institute of Technology (ETH)

Curated by ChEMBL


Assay Description
Transactivation of human Gal4-fused RXRgamma LBD expressed in HEK293T cells after 12 to 14 hrs by dual-glo luciferase assay

J Med Chem 61: 5442-5447 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00494
BindingDB Entry DOI: 10.7270/Q2J38W5N
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-beta


(Homo sapiens (Human))		BDBM50340649
PNG
(CHEMBL4163199)
Show SMILES Cc1c(C)n(C[C@H]2CC[C@@H](CC2)C(O)=O)c2CCC(F)(F)Cc12 |r,wU:9.12,wD:6.5,(54.45,-4.82,;54.93,-6.28,;54.03,-7.53,;52.49,-7.54,;54.94,-8.78,;54.48,-10.25,;55.52,-11.38,;55.05,-12.85,;56.09,-13.98,;57.59,-13.65,;58.06,-12.18,;57.02,-11.04,;58.63,-14.79,;60.13,-14.46,;58.16,-16.25,;56.41,-8.3,;57.75,-9.06,;59.08,-8.3,;59.08,-6.75,;59.84,-5.41,;60.62,-6.74,;57.75,-5.97,;56.4,-6.75,)|
Show InChI InChI=1S/C18H14N4O3S/c1-25-12-8-6-11(7-9-12)22-15(23)10-26-18(22)21-20-16-13-4-2-3-5-14(13)19-17(16)24/h2-9H,10H2,1H3,(H,19,20,24)/b21-18-
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n/an/an/an/a 2.71E+4n/an/an/an/a



Swiss Federal Institute of Technology (ETH)

Curated by ChEMBL


Assay Description
Transactivation of human Gal4-fused RXRbeta LBD expressed in HEK293T cells after 12 to 14 hrs by dual-glo luciferase assay

J Med Chem 61: 5442-5447 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00494
BindingDB Entry DOI: 10.7270/Q2J38W5N
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))		BDBM50340650
PNG
(CHEMBL4174952)
Show SMILES Cc1c(C)n(c2CCC(F)(F)Cc12)-c1ccc(C)c(O)c1
Show InChI InChI=1S/C11H8N4O2S/c16-8-5-18-11(13-8)15-14-9-6-3-1-2-4-7(6)12-10(9)17/h1-5,16H,(H,13,15)(H,12,14,17)
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n/an/an/an/a 2.36E+4n/an/an/an/a



Swiss Federal Institute of Technology (ETH)

Curated by ChEMBL


Assay Description
Transactivation of human Gal4-fused RXRalpha LBD expressed in HEK293T cells after 12 to 14 hrs by dual-glo luciferase assay

J Med Chem 61: 5442-5447 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00494
BindingDB Entry DOI: 10.7270/Q2J38W5N
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-beta


(Homo sapiens (Human))		BDBM50341382
PNG
(CHEMBL4173918)
Show SMILES Cc1c(C)n(c2CCC(F)(F)Cc12)-c1ccc(CCCC(O)=O)cc1
Show InChI InChI=1S/C20H23F2NO2/c1-13-14(2)23(18-10-11-20(21,22)12-17(13)18)16-8-6-15(7-9-16)4-3-5-19(24)25/h6-9H,3-5,10-12H2,1-2H3,(H,24,25)
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n/an/an/an/a 2.20E+3n/an/an/an/a



Swiss Federal Institute of Technology (ETH)

Curated by ChEMBL


Assay Description
Transactivation of human Gal4-fused RXRbeta LBD expressed in HEK293T cells after 12 to 14 hrs by dual-glo luciferase assay

J Med Chem 61: 5442-5447 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00494
BindingDB Entry DOI: 10.7270/Q2J38W5N
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))		BDBM50340651
PNG
(CHEBI:6039 | Isopimaric Acid | acs.jmedchem.1c0040...)
Show SMILES [H][C@]12CC[C@@](C)(CC1=CC[C@@]1([H])[C@@](C)(CCC[C@]21C)C(O)=O)C=C |r,c:8|
Show InChI InChI=1S/C19H17N5O2S/c1-23(2)12-7-9-13(10-8-12)24-16(25)11-27-19(24)22-21-17-14-5-3-4-6-15(14)20-18(17)26/h3-10H,11H2,1-2H3,(H,20,21,26)/b22-19-
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n/an/an/an/a 2.60E+4n/an/an/an/a



Swiss Federal Institute of Technology (ETH)

Curated by ChEMBL


Assay Description
Transactivation of human Gal4-fused RXRalpha LBD expressed in HEK293T cells after 12 to 14 hrs by dual-glo luciferase assay

J Med Chem 61: 5442-5447 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00494
BindingDB Entry DOI: 10.7270/Q2J38W5N
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))		BDBM50143600
PNG
(CHEBI:29571 | Dehydroabietic Acid)
Show SMILES [H][C@@]12CCc3cc(ccc3[C@@]1(C)CCC[C@@]2(C)C(O)=O)C(C)C |r|
Show InChI InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1
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n/an/an/an/a 4.20E+4n/an/an/an/a



Swiss Federal Institute of Technology (ETH)

Curated by ChEMBL


Assay Description
Transactivation of human Gal4-fused RXRalpha LBD expressed in HEK293T cells after 12 to 14 hrs by dual-glo luciferase assay

J Med Chem 61: 5442-5447 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00494
BindingDB Entry DOI: 10.7270/Q2J38W5N
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-beta


(Homo sapiens (Human))		BDBM50340650
PNG
(CHEMBL4174952)
Show SMILES Cc1c(C)n(c2CCC(F)(F)Cc12)-c1ccc(C)c(O)c1
Show InChI InChI=1S/C11H8N4O2S/c16-8-5-18-11(13-8)15-14-9-6-3-1-2-4-7(6)12-10(9)17/h1-5,16H,(H,13,15)(H,12,14,17)
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n/an/an/an/a 1.39E+4n/an/an/an/a



Swiss Federal Institute of Technology (ETH)

Curated by ChEMBL


Assay Description
Transactivation of human Gal4-fused RXRbeta LBD expressed in HEK293T cells after 12 to 14 hrs by dual-glo luciferase assay

J Med Chem 61: 5442-5447 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00494
BindingDB Entry DOI: 10.7270/Q2J38W5N
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-beta


(Homo sapiens (Human))		BDBM50340651
PNG
(CHEBI:6039 | Isopimaric Acid | acs.jmedchem.1c0040...)
Show SMILES [H][C@]12CC[C@@](C)(CC1=CC[C@@]1([H])[C@@](C)(CCC[C@]21C)C(O)=O)C=C |r,c:8|
Show InChI InChI=1S/C19H17N5O2S/c1-23(2)12-7-9-13(10-8-12)24-16(25)11-27-19(24)22-21-17-14-5-3-4-6-15(14)20-18(17)26/h3-10H,11H2,1-2H3,(H,20,21,26)/b22-19-
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n/an/an/an/a 3.20E+4n/an/an/an/a



Swiss Federal Institute of Technology (ETH)

Curated by ChEMBL


Assay Description
Transactivation of human Gal4-fused RXRbeta LBD expressed in HEK293T cells after 12 to 14 hrs by dual-glo luciferase assay

J Med Chem 61: 5442-5447 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00494
BindingDB Entry DOI: 10.7270/Q2J38W5N
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-gamma


(Homo sapiens (Human))		BDBM50341381
PNG
(CHEMBL4171515)
Show SMILES Cc1c(C)n(c2CCC(F)(F)Cc12)-c1ccc(CC(O)=O)cc1
Show InChI InChI=1S/C18H19F2NO2/c1-11-12(2)21(16-7-8-18(19,20)10-15(11)16)14-5-3-13(4-6-14)9-17(22)23/h3-6H,7-10H2,1-2H3,(H,22,23)
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n/an/an/an/a 3.40E+3n/an/an/an/a



Swiss Federal Institute of Technology (ETH)

Curated by ChEMBL


Assay Description
Transactivation of human Gal4-fused RXRgamma LBD expressed in HEK293T cells after 12 to 14 hrs by dual-glo luciferase assay

J Med Chem 61: 5442-5447 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00494
BindingDB Entry DOI: 10.7270/Q2J38W5N
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%