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Compile Data Set for Download or QSAR

Found 11 hits from Aichi Gakuin University   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
RXR alpha/PPAR gamma


(Homo sapiens)
BDBM50047349
PNG
(CHEMBL3314592)
Show SMILES CC(C)=CCc1cc(cc2CC(Oc12)C(C)(C)O)[C@@H]1CC(=O)c2ccc(O)c(CC=C(C)C)c2O1
Show InChI InChI=1S/C30H36O5/c1-17(2)7-9-19-13-20(14-21-15-27(30(5,6)33)35-28(19)21)26-16-25(32)23-11-12-24(31)22(29(23)34-26)10-8-18(3)4/h7-8,11-14,26-27,31,33H,9-10,15-16H2,1-6H3/t26-,27?/m0/s1
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n/an/an/an/a 770n/an/an/an/a



Aichi Gakuin University

Curated by ChEMBL


Assay Description
Agonist activity at human RXR-alpha expressed in HEK293 cells coexpressing with pCMX-beta-gal after 24 to 48 hrs by luciferase reporter gene assay


J Nat Prod 77: 1670-7 (2014)


Article DOI: 10.1021/np5002016
BindingDB Entry DOI: 10.7270/Q20R9R2M
More data for this
Ligand-Target Pair
RXR alpha/PPAR gamma


(Homo sapiens)
BDBM50047350
PNG
(CHEMBL3314593)
Show SMILES CC(C)=CCc1cc(cc2CC(O)C(C)(C)Oc12)[C@@H]1CC(=O)c2ccc(O)c(CC=C(C)C)c2O1
Show InChI InChI=1S/C30H36O5/c1-17(2)7-9-19-13-20(14-21-15-27(33)30(5,6)35-28(19)21)26-16-25(32)23-11-12-24(31)22(29(23)34-26)10-8-18(3)4/h7-8,11-14,26-27,31,33H,9-10,15-16H2,1-6H3/t26-,27?/m0/s1
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n/an/an/an/a 780n/an/an/an/a



Aichi Gakuin University

Curated by ChEMBL


Assay Description
Agonist activity at human RXR-alpha expressed in HEK293 cells coexpressing with pCMX-beta-gal after 24 to 48 hrs by luciferase reporter gene assay


J Nat Prod 77: 1670-7 (2014)


Article DOI: 10.1021/np5002016
BindingDB Entry DOI: 10.7270/Q20R9R2M
More data for this
Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens)
BDBM50067588
PNG
(CHEMBL3400677)
Show SMILES CC(C)(O)C1Cc2c(O1)ccc1oc3c4C=CC(C)(C)Oc4cc(O)c3c(=O)c21
Show InChI InChI=1S/C23H22O6/c1-22(2)8-7-11-16(29-22)10-13(24)19-20(25)18-12-9-17(23(3,4)26)27-14(12)5-6-15(18)28-21(11)19/h5-8,10,17,24,26H,9H2,1-4H3
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n/an/an/an/a 65n/an/an/an/a



Aichi Gakuin University

Curated by ChEMBL


Assay Description
Agonist activity at RARalpha (unknown origin) expressed in HEK293 cells assessed as transcriptional activation after 48 hrs by luciferase reporter ge...


Bioorg Med Chem Lett 25: 1998-2001 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.075
BindingDB Entry DOI: 10.7270/Q2KK9DGD
More data for this
Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens)
BDBM53426
PNG
(Acylated oxime isatin derivative, 15 | MLS00069763...)
Show SMILES CC1Oc2cc3oc4c(O)c5OC(C)(C)C=Cc5cc4c(=O)c3c(O)c2C1(C)C
Show InChI InChI=1S/C23H22O6/c1-10-23(4,5)16-14(27-10)9-13-15(18(16)25)17(24)12-8-11-6-7-22(2,3)29-20(11)19(26)21(12)28-13/h6-10,25-26H,1-5H3
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n/an/an/an/a 170n/an/an/an/a



Aichi Gakuin University

Curated by ChEMBL


Assay Description
Agonist activity at RARalpha (unknown origin) expressed in HEK293 cells assessed as transcriptional activation after 48 hrs by luciferase reporter ge...


Bioorg Med Chem Lett 25: 1998-2001 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.075
BindingDB Entry DOI: 10.7270/Q2KK9DGD
More data for this
Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens)
BDBM50067590
PNG
(GERONTOXANTHONE B)
Show SMILES CC(C)(C=C)c1c(O)cc2oc3c(O)c4OC(C)(C)C=Cc4cc3c(=O)c2c1O
Show InChI InChI=1S/C23H22O6/c1-6-22(2,3)16-13(24)10-14-15(18(16)26)17(25)12-9-11-7-8-23(4,5)29-20(11)19(27)21(12)28-14/h6-10,24,26-27H,1H2,2-5H3
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n/an/an/an/a 1.70E+3n/an/an/an/a



Aichi Gakuin University

Curated by ChEMBL


Assay Description
Agonist activity at RARalpha (unknown origin) expressed in HEK293 cells assessed as transcriptional activation after 48 hrs by luciferase reporter ge...


Bioorg Med Chem Lett 25: 1998-2001 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.075
BindingDB Entry DOI: 10.7270/Q2KK9DGD
More data for this
Ligand-Target Pair
RXR alpha/PPAR gamma


(Homo sapiens)
BDBM50157304
PNG
(3',5-di-2-propenyl-1,1'-biphenyl-2,4'-diol | 3',5-...)
Show SMILES Oc1ccc(cc1CC=C)-c1cc(CC=C)ccc1O
Show InChI InChI=1S/C18H18O2/c1-3-5-13-7-9-18(20)16(11-13)14-8-10-17(19)15(12-14)6-4-2/h3-4,7-12,19-20H,1-2,5-6H2
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n/an/an/an/a 1.18E+4n/an/an/an/a



Aichi Gakuin University

Curated by ChEMBL


Assay Description
Agonist activity at RXRalpha in HEK293 cells assessed as transcriptional activation after 48 hrs by luciferase reporter gene assay


J Nat Prod 73: 1332-6 (2010)


Article DOI: 10.1021/np100120c
BindingDB Entry DOI: 10.7270/Q2VT1S9K
More data for this
Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens)
BDBM50067588
PNG
(CHEMBL3400677)
Show SMILES CC(C)(O)C1Cc2c(O1)ccc1oc3c4C=CC(C)(C)Oc4cc(O)c3c(=O)c21
Show InChI InChI=1S/C23H22O6/c1-22(2)8-7-11-16(29-22)10-13(24)19-20(25)18-12-9-17(23(3,4)26)27-14(12)5-6-15(18)28-21(11)19/h5-8,10,17,24,26H,9H2,1-4H3
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n/an/an/an/a 170n/an/an/an/a



Aichi Gakuin University

Curated by ChEMBL


Assay Description
Agonist activity at RARalpha (unknown origin) expressed in HEK293 cells assessed as transcriptional activation after 48 hrs by luciferase reporter ge...


Bioorg Med Chem Lett 25: 1998-2001 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.075
BindingDB Entry DOI: 10.7270/Q2KK9DGD
More data for this
Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens)
BDBM53426
PNG
(Acylated oxime isatin derivative, 15 | MLS00069763...)
Show SMILES CC1Oc2cc3oc4c(O)c5OC(C)(C)C=Cc5cc4c(=O)c3c(O)c2C1(C)C
Show InChI InChI=1S/C23H22O6/c1-10-23(4,5)16-14(27-10)9-13-15(18(16)25)17(24)12-8-11-6-7-22(2,3)29-20(11)19(26)21(12)28-13/h6-10,25-26H,1-5H3
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n/an/an/an/a 200n/an/an/an/a



Aichi Gakuin University

Curated by ChEMBL


Assay Description
Agonist activity at RARalpha (unknown origin) expressed in HEK293 cells assessed as transcriptional activation after 48 hrs by luciferase reporter ge...


Bioorg Med Chem Lett 25: 1998-2001 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.075
BindingDB Entry DOI: 10.7270/Q2KK9DGD
More data for this
Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens)
BDBM50067590
PNG
(GERONTOXANTHONE B)
Show SMILES CC(C)(C=C)c1c(O)cc2oc3c(O)c4OC(C)(C)C=Cc4cc3c(=O)c2c1O
Show InChI InChI=1S/C23H22O6/c1-6-22(2,3)16-13(24)10-14-15(18(16)26)17(25)12-9-11-7-8-23(4,5)29-20(11)19(27)21(12)28-14/h6-10,24,26-27H,1H2,2-5H3
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n/an/an/an/a 2.00E+3n/an/an/an/a



Aichi Gakuin University

Curated by ChEMBL


Assay Description
Agonist activity at RARalpha (unknown origin) expressed in HEK293 cells assessed as transcriptional activation after 48 hrs by luciferase reporter ge...


Bioorg Med Chem Lett 25: 1998-2001 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.075
BindingDB Entry DOI: 10.7270/Q2KK9DGD
More data for this
Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens)
BDBM50067591
PNG
(CHEMBL3400678)
Show SMILES CC(C)=CCc1c(O)ccc2oc3c4C=CC(C)(C)Oc4cc(O)c3c(=O)c12
Show InChI InChI=1S/C23H22O5/c1-12(2)5-6-13-15(24)7-8-17-19(13)21(26)20-16(25)11-18-14(22(20)27-17)9-10-23(3,4)28-18/h5,7-11,24-25H,6H2,1-4H3
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n/an/an/an/a 200n/an/an/an/a



Aichi Gakuin University

Curated by ChEMBL


Assay Description
Agonist activity at RARalpha (unknown origin) expressed in HEK293 cells assessed as transcriptional activation after 48 hrs by luciferase reporter ge...


Bioorg Med Chem Lett 25: 1998-2001 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.075
BindingDB Entry DOI: 10.7270/Q2KK9DGD
More data for this
Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens)
BDBM50067591
PNG
(CHEMBL3400678)
Show SMILES CC(C)=CCc1c(O)ccc2oc3c4C=CC(C)(C)Oc4cc(O)c3c(=O)c12
Show InChI InChI=1S/C23H22O5/c1-12(2)5-6-13-15(24)7-8-17-19(13)21(26)20-16(25)11-18-14(22(20)27-17)9-10-23(3,4)28-18/h5,7-11,24-25H,6H2,1-4H3
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n/an/an/an/a 110n/an/an/an/a



Aichi Gakuin University

Curated by ChEMBL


Assay Description
Agonist activity at RARalpha (unknown origin) expressed in HEK293 cells assessed as transcriptional activation after 48 hrs by luciferase reporter ge...


Bioorg Med Chem Lett 25: 1998-2001 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.075
BindingDB Entry DOI: 10.7270/Q2KK9DGD
More data for this
Ligand-Target Pair