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PubMed code 19095448

Compile data set for download or QSAR
Found 24 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
Retinoid receptor


(Homo sapiens (Human))
BDBM50218464
PNG
((Z)-4-(5,7,7,10,10-pentamethyl-2-nitro-7,8,9,10-te...)
Show SMILES CN1c2ccc(cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C)[N+]([O-])=O |t:9|
Show InChI InChI=1S/C29H29N3O4/c1-28(2)12-13-29(3,4)22-16-25-20(15-21(22)28)26(17-6-8-18(9-7-17)27(33)34)30-23-14-19(32(35)36)10-11-24(23)31(25)5/h6-11,14-16H,12-13H2,1-5H3,(H,33,34)
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n/an/a 44n/an/an/an/an/an/a



Okayama University Graduate School of Medicine

Curated by ChEMBL


Assay Description
Antagonist activity at RXRbeta (unknown origin) expressed in african green monkey COS1 cells assessed as inhibition of LGD1069-induced agonist activi...


Bioorg Med Chem Lett 19: 1001-3 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.086
BindingDB Entry DOI: 10.7270/Q2TH8MJW
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50218464
PNG
((Z)-4-(5,7,7,10,10-pentamethyl-2-nitro-7,8,9,10-te...)
Show SMILES CN1c2ccc(cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C)[N+]([O-])=O |t:9|
Show InChI InChI=1S/C29H29N3O4/c1-28(2)12-13-29(3,4)22-16-25-20(15-21(22)28)26(17-6-8-18(9-7-17)27(33)34)30-23-14-19(32(35)36)10-11-24(23)31(25)5/h6-11,14-16H,12-13H2,1-5H3,(H,33,34)
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n/an/a 290n/an/an/an/an/an/a



Okayama University Graduate School of Medicine

Curated by ChEMBL


Assay Description
Antagonist activity at RXRalpha (unknown origin) expressed in african green monkey COS1 cells assessed as inhibition of LGD1069-induced agonist activ...


Bioorg Med Chem Lett 19: 1001-3 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.086
BindingDB Entry DOI: 10.7270/Q2TH8MJW
More data for this
Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50218464
PNG
((Z)-4-(5,7,7,10,10-pentamethyl-2-nitro-7,8,9,10-te...)
Show SMILES CN1c2ccc(cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C)[N+]([O-])=O |t:9|
Show InChI InChI=1S/C29H29N3O4/c1-28(2)12-13-29(3,4)22-16-25-20(15-21(22)28)26(17-6-8-18(9-7-17)27(33)34)30-23-14-19(32(35)36)10-11-24(23)31(25)5/h6-11,14-16H,12-13H2,1-5H3,(H,33,34)
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n/an/a 380n/an/an/an/an/an/a



Okayama University Graduate School of Medicine

Curated by ChEMBL


Assay Description
Antagonist activity at RXRgamma (unknown origin) expressed in african green monkey COS1 cells assessed as inhibition of LGD1069-induced agonist activ...


Bioorg Med Chem Lett 19: 1001-3 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.086
BindingDB Entry DOI: 10.7270/Q2TH8MJW
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50256177
PNG
(6-(N-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphth...)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)N(c1ccc(cn1)C(O)=O)S(=O)(=O)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C27H27F3N2O4S/c1-25(2)13-14-26(3,4)22-15-19(8-11-21(22)25)32(23-12-5-17(16-31-23)24(33)34)37(35,36)20-9-6-18(7-10-20)27(28,29)30/h5-12,15-16H,13-14H2,1-4H3,(H,33,34)
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n/an/a 750n/an/an/an/an/an/a



Okayama University Graduate School of Medicine

Curated by ChEMBL


Assay Description
Antagonist activity at RXRbeta (unknown origin) expressed in african green monkey COS1 cells assessed as inhibition of LGD1069-induced agonist activi...


Bioorg Med Chem Lett 19: 1001-3 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.086
BindingDB Entry DOI: 10.7270/Q2TH8MJW
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50256176
PNG
(6-(4-chloro-N-(5,5,8,8-tetramethyl-5,6,7,8-tetrahy...)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)N(c1ccc(cn1)C(O)=O)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H27ClN2O4S/c1-25(2)13-14-26(3,4)22-15-19(8-11-21(22)25)29(23-12-5-17(16-28-23)24(30)31)34(32,33)20-9-6-18(27)7-10-20/h5-12,15-16H,13-14H2,1-4H3,(H,30,31)
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n/an/a 870n/an/an/an/an/an/a



Okayama University Graduate School of Medicine

Curated by ChEMBL


Assay Description
Antagonist activity at RXRbeta (unknown origin) expressed in african green monkey COS1 cells assessed as inhibition of LGD1069-induced agonist activi...


Bioorg Med Chem Lett 19: 1001-3 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.086
BindingDB Entry DOI: 10.7270/Q2TH8MJW
More data for this
Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50256177
PNG
(6-(N-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphth...)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)N(c1ccc(cn1)C(O)=O)S(=O)(=O)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C27H27F3N2O4S/c1-25(2)13-14-26(3,4)22-15-19(8-11-21(22)25)32(23-12-5-17(16-31-23)24(33)34)37(35,36)20-9-6-18(7-10-20)27(28,29)30/h5-12,15-16H,13-14H2,1-4H3,(H,33,34)
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n/an/a 2.70E+3n/an/an/an/an/an/a



Okayama University Graduate School of Medicine

Curated by ChEMBL


Assay Description
Antagonist activity at RXRgamma (unknown origin) expressed in african green monkey COS1 cells assessed as inhibition of LGD1069-induced agonist activ...


Bioorg Med Chem Lett 19: 1001-3 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.086
BindingDB Entry DOI: 10.7270/Q2TH8MJW
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50256175
PNG
(6-(4-methoxy-N-(5,5,8,8-tetramethyl-5,6,7,8-tetrah...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(c1ccc2c(c1)C(C)(C)CCC2(C)C)c1ccc(cn1)C(O)=O
Show InChI InChI=1S/C27H30N2O5S/c1-26(2)14-15-27(3,4)23-16-19(7-12-22(23)26)29(24-13-6-18(17-28-24)25(30)31)35(32,33)21-10-8-20(34-5)9-11-21/h6-13,16-17H,14-15H2,1-5H3,(H,30,31)
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n/an/a 2.70E+3n/an/an/an/an/an/a



Okayama University Graduate School of Medicine

Curated by ChEMBL


Assay Description
Antagonist activity at RXRalpha (unknown origin) expressed in african green monkey COS1 cells assessed as inhibition of LGD1069-induced agonist activ...


Bioorg Med Chem Lett 19: 1001-3 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.086
BindingDB Entry DOI: 10.7270/Q2TH8MJW
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50256174
PNG
(6-(4-methyl-N-(5,5,8,8-tetramethyl-5,6,7,8-tetrahy...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N(c1ccc2c(c1)C(C)(C)CCC2(C)C)c1ccc(cn1)C(O)=O
Show InChI InChI=1S/C27H30N2O4S/c1-18-6-10-21(11-7-18)34(32,33)29(24-13-8-19(17-28-24)25(30)31)20-9-12-22-23(16-20)27(4,5)15-14-26(22,2)3/h6-13,16-17H,14-15H2,1-5H3,(H,30,31)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Okayama University Graduate School of Medicine

Curated by ChEMBL


Assay Description
Antagonist activity at RXRbeta (unknown origin) expressed in african green monkey COS1 cells assessed as inhibition of LGD1069-induced agonist activi...


Bioorg Med Chem Lett 19: 1001-3 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.086
BindingDB Entry DOI: 10.7270/Q2TH8MJW
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50256177
PNG
(6-(N-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphth...)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)N(c1ccc(cn1)C(O)=O)S(=O)(=O)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C27H27F3N2O4S/c1-25(2)13-14-26(3,4)22-15-19(8-11-21(22)25)32(23-12-5-17(16-31-23)24(33)34)37(35,36)20-9-6-18(7-10-20)27(28,29)30/h5-12,15-16H,13-14H2,1-4H3,(H,33,34)
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n/an/a 3.20E+3n/an/an/an/an/an/a



Okayama University Graduate School of Medicine

Curated by ChEMBL


Assay Description
Antagonist activity at RXRalpha (unknown origin) expressed in african green monkey COS1 cells assessed as inhibition of LGD1069-induced agonist activ...


Bioorg Med Chem Lett 19: 1001-3 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.086
BindingDB Entry DOI: 10.7270/Q2TH8MJW
More data for this
Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50256174
PNG
(6-(4-methyl-N-(5,5,8,8-tetramethyl-5,6,7,8-tetrahy...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N(c1ccc2c(c1)C(C)(C)CCC2(C)C)c1ccc(cn1)C(O)=O
Show InChI InChI=1S/C27H30N2O4S/c1-18-6-10-21(11-7-18)34(32,33)29(24-13-8-19(17-28-24)25(30)31)20-9-12-22-23(16-20)27(4,5)15-14-26(22,2)3/h6-13,16-17H,14-15H2,1-5H3,(H,30,31)
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n/an/a 3.80E+3n/an/an/an/an/an/a



Okayama University Graduate School of Medicine

Curated by ChEMBL


Assay Description
Antagonist activity at RXRgamma (unknown origin) expressed in african green monkey COS1 cells assessed as inhibition of LGD1069-induced agonist activ...


Bioorg Med Chem Lett 19: 1001-3 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.086
BindingDB Entry DOI: 10.7270/Q2TH8MJW
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50256175
PNG
(6-(4-methoxy-N-(5,5,8,8-tetramethyl-5,6,7,8-tetrah...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(c1ccc2c(c1)C(C)(C)CCC2(C)C)c1ccc(cn1)C(O)=O
Show InChI InChI=1S/C27H30N2O5S/c1-26(2)14-15-27(3,4)23-16-19(7-12-22(23)26)29(24-13-6-18(17-28-24)25(30)31)35(32,33)21-10-8-20(34-5)9-11-21/h6-13,16-17H,14-15H2,1-5H3,(H,30,31)
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n/an/a 3.90E+3n/an/an/an/an/an/a



Okayama University Graduate School of Medicine

Curated by ChEMBL


Assay Description
Antagonist activity at RXRbeta (unknown origin) expressed in african green monkey COS1 cells assessed as inhibition of LGD1069-induced agonist activi...


Bioorg Med Chem Lett 19: 1001-3 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.086
BindingDB Entry DOI: 10.7270/Q2TH8MJW
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50256176
PNG
(6-(4-chloro-N-(5,5,8,8-tetramethyl-5,6,7,8-tetrahy...)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)N(c1ccc(cn1)C(O)=O)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H27ClN2O4S/c1-25(2)13-14-26(3,4)22-15-19(8-11-21(22)25)29(23-12-5-17(16-28-23)24(30)31)34(32,33)20-9-6-18(27)7-10-20/h5-12,15-16H,13-14H2,1-4H3,(H,30,31)
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n/an/a 4.10E+3n/an/an/an/an/an/a



Okayama University Graduate School of Medicine

Curated by ChEMBL


Assay Description
Antagonist activity at RXRalpha (unknown origin) expressed in african green monkey COS1 cells assessed as inhibition of LGD1069-induced agonist activ...


Bioorg Med Chem Lett 19: 1001-3 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.086
BindingDB Entry DOI: 10.7270/Q2TH8MJW
More data for this
Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50256176
PNG
(6-(4-chloro-N-(5,5,8,8-tetramethyl-5,6,7,8-tetrahy...)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)N(c1ccc(cn1)C(O)=O)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H27ClN2O4S/c1-25(2)13-14-26(3,4)22-15-19(8-11-21(22)25)29(23-12-5-17(16-28-23)24(30)31)34(32,33)20-9-6-18(27)7-10-20/h5-12,15-16H,13-14H2,1-4H3,(H,30,31)
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n/an/a 4.50E+3n/an/an/an/an/an/a



Okayama University Graduate School of Medicine

Curated by ChEMBL


Assay Description
Antagonist activity at RXRgamma (unknown origin) expressed in african green monkey COS1 cells assessed as inhibition of LGD1069-induced agonist activ...


Bioorg Med Chem Lett 19: 1001-3 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.086
BindingDB Entry DOI: 10.7270/Q2TH8MJW
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50256174
PNG
(6-(4-methyl-N-(5,5,8,8-tetramethyl-5,6,7,8-tetrahy...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N(c1ccc2c(c1)C(C)(C)CCC2(C)C)c1ccc(cn1)C(O)=O
Show InChI InChI=1S/C27H30N2O4S/c1-18-6-10-21(11-7-18)34(32,33)29(24-13-8-19(17-28-24)25(30)31)20-9-12-22-23(16-20)27(4,5)15-14-26(22,2)3/h6-13,16-17H,14-15H2,1-5H3,(H,30,31)
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n/an/a 5.20E+3n/an/an/an/an/an/a



Okayama University Graduate School of Medicine

Curated by ChEMBL


Assay Description
Antagonist activity at RXRalpha (unknown origin) expressed in african green monkey COS1 cells assessed as inhibition of LGD1069-induced agonist activ...


Bioorg Med Chem Lett 19: 1001-3 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.086
BindingDB Entry DOI: 10.7270/Q2TH8MJW
More data for this
Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50256175
PNG
(6-(4-methoxy-N-(5,5,8,8-tetramethyl-5,6,7,8-tetrah...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(c1ccc2c(c1)C(C)(C)CCC2(C)C)c1ccc(cn1)C(O)=O
Show InChI InChI=1S/C27H30N2O5S/c1-26(2)14-15-27(3,4)23-16-19(7-12-22(23)26)29(24-13-6-18(17-28-24)25(30)31)35(32,33)21-10-8-20(34-5)9-11-21/h6-13,16-17H,14-15H2,1-5H3,(H,30,31)
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n/an/a 6.60E+3n/an/an/an/an/an/a



Okayama University Graduate School of Medicine

Curated by ChEMBL


Assay Description
Antagonist activity at RXRgamma (unknown origin) expressed in african green monkey COS1 cells assessed as inhibition of LGD1069-induced agonist activ...


Bioorg Med Chem Lett 19: 1001-3 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.086
BindingDB Entry DOI: 10.7270/Q2TH8MJW
More data for this
Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50256275
PNG
(6-(4-nitro-N-(5,5,8,8-tetramethyl-5,6,7,8-tetrahyd...)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)N(c1ccc(cn1)C(O)=O)S(=O)(=O)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C26H27N3O6S/c1-25(2)13-14-26(3,4)22-15-19(8-11-21(22)25)28(23-12-5-17(16-27-23)24(30)31)36(34,35)20-9-6-18(7-10-20)29(32)33/h5-12,15-16H,13-14H2,1-4H3,(H,30,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Okayama University Graduate School of Medicine

Curated by ChEMBL


Assay Description
Antagonist activity at RXRgamma (unknown origin) expressed in african green monkey COS1 cells assessed as inhibition of LGD1069-induced agonist activ...


Bioorg Med Chem Lett 19: 1001-3 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.086
BindingDB Entry DOI: 10.7270/Q2TH8MJW
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50256124
PNG
(6-(N-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphth...)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)N(c1ccc(cn1)C(O)=O)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C26H28N2O4S/c1-25(2)14-15-26(3,4)22-16-19(11-12-21(22)25)28(23-13-10-18(17-27-23)24(29)30)33(31,32)20-8-6-5-7-9-20/h5-13,16-17H,14-15H2,1-4H3,(H,29,30)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Okayama University Graduate School of Medicine

Curated by ChEMBL


Assay Description
Antagonist activity at RXRbeta (unknown origin) expressed in african green monkey COS1 cells assessed as inhibition of LGD1069-induced agonist activi...


Bioorg Med Chem Lett 19: 1001-3 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.086
BindingDB Entry DOI: 10.7270/Q2TH8MJW
More data for this
Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50256124
PNG
(6-(N-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphth...)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)N(c1ccc(cn1)C(O)=O)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C26H28N2O4S/c1-25(2)14-15-26(3,4)22-16-19(11-12-21(22)25)28(23-13-10-18(17-27-23)24(29)30)33(31,32)20-8-6-5-7-9-20/h5-13,16-17H,14-15H2,1-4H3,(H,29,30)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Okayama University Graduate School of Medicine

Curated by ChEMBL


Assay Description
Antagonist activity at RXRgamma (unknown origin) expressed in african green monkey COS1 cells assessed as inhibition of LGD1069-induced agonist activ...


Bioorg Med Chem Lett 19: 1001-3 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.086
BindingDB Entry DOI: 10.7270/Q2TH8MJW
More data for this
Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50256123
PNG
(6-(N-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphth...)
Show SMILES CCCCS(=O)(=O)N(c1ccc2c(c1)C(C)(C)CCC2(C)C)c1ccc(cn1)C(O)=O
Show InChI InChI=1S/C24H32N2O4S/c1-6-7-14-31(29,30)26(21-11-8-17(16-25-21)22(27)28)18-9-10-19-20(15-18)24(4,5)13-12-23(19,2)3/h8-11,15-16H,6-7,12-14H2,1-5H3,(H,27,28)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Okayama University Graduate School of Medicine

Curated by ChEMBL


Assay Description
Antagonist activity at RXRgamma (unknown origin) expressed in african green monkey COS1 cells assessed as inhibition of LGD1069-induced agonist activ...


Bioorg Med Chem Lett 19: 1001-3 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.086
BindingDB Entry DOI: 10.7270/Q2TH8MJW
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50256123
PNG
(6-(N-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphth...)
Show SMILES CCCCS(=O)(=O)N(c1ccc2c(c1)C(C)(C)CCC2(C)C)c1ccc(cn1)C(O)=O
Show InChI InChI=1S/C24H32N2O4S/c1-6-7-14-31(29,30)26(21-11-8-17(16-25-21)22(27)28)18-9-10-19-20(15-18)24(4,5)13-12-23(19,2)3/h8-11,15-16H,6-7,12-14H2,1-5H3,(H,27,28)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Okayama University Graduate School of Medicine

Curated by ChEMBL


Assay Description
Antagonist activity at RXRalpha (unknown origin) expressed in african green monkey COS1 cells assessed as inhibition of LGD1069-induced agonist activ...


Bioorg Med Chem Lett 19: 1001-3 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.086
BindingDB Entry DOI: 10.7270/Q2TH8MJW
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50256123
PNG
(6-(N-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphth...)
Show SMILES CCCCS(=O)(=O)N(c1ccc2c(c1)C(C)(C)CCC2(C)C)c1ccc(cn1)C(O)=O
Show InChI InChI=1S/C24H32N2O4S/c1-6-7-14-31(29,30)26(21-11-8-17(16-25-21)22(27)28)18-9-10-19-20(15-18)24(4,5)13-12-23(19,2)3/h8-11,15-16H,6-7,12-14H2,1-5H3,(H,27,28)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Okayama University Graduate School of Medicine

Curated by ChEMBL


Assay Description
Antagonist activity at RXRbeta (unknown origin) expressed in african green monkey COS1 cells assessed as inhibition of LGD1069-induced agonist activi...


Bioorg Med Chem Lett 19: 1001-3 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.086
BindingDB Entry DOI: 10.7270/Q2TH8MJW
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50256124
PNG
(6-(N-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphth...)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)N(c1ccc(cn1)C(O)=O)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C26H28N2O4S/c1-25(2)14-15-26(3,4)22-16-19(11-12-21(22)25)28(23-13-10-18(17-27-23)24(29)30)33(31,32)20-8-6-5-7-9-20/h5-13,16-17H,14-15H2,1-4H3,(H,29,30)
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Okayama University Graduate School of Medicine

Curated by ChEMBL


Assay Description
Antagonist activity at RXRalpha (unknown origin) expressed in african green monkey COS1 cells assessed as inhibition of LGD1069-induced agonist activ...


Bioorg Med Chem Lett 19: 1001-3 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.086
BindingDB Entry DOI: 10.7270/Q2TH8MJW
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50256275
PNG
(6-(4-nitro-N-(5,5,8,8-tetramethyl-5,6,7,8-tetrahyd...)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)N(c1ccc(cn1)C(O)=O)S(=O)(=O)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C26H27N3O6S/c1-25(2)13-14-26(3,4)22-15-19(8-11-21(22)25)28(23-12-5-17(16-27-23)24(30)31)36(34,35)20-9-6-18(7-10-20)29(32)33/h5-12,15-16H,13-14H2,1-4H3,(H,30,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Okayama University Graduate School of Medicine

Curated by ChEMBL


Assay Description
Antagonist activity at RXRbeta (unknown origin) expressed in african green monkey COS1 cells assessed as inhibition of LGD1069-induced agonist activi...


Bioorg Med Chem Lett 19: 1001-3 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.086
BindingDB Entry DOI: 10.7270/Q2TH8MJW
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50256275
PNG
(6-(4-nitro-N-(5,5,8,8-tetramethyl-5,6,7,8-tetrahyd...)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)N(c1ccc(cn1)C(O)=O)S(=O)(=O)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C26H27N3O6S/c1-25(2)13-14-26(3,4)22-15-19(8-11-21(22)25)28(23-12-5-17(16-27-23)24(30)31)36(34,35)20-9-6-18(7-10-20)29(32)33/h5-12,15-16H,13-14H2,1-4H3,(H,30,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Okayama University Graduate School of Medicine

Curated by ChEMBL


Assay Description
Antagonist activity at RXRalpha (unknown origin) expressed in african green monkey COS1 cells assessed as inhibition of LGD1069-induced agonist activ...


Bioorg Med Chem Lett 19: 1001-3 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.086
BindingDB Entry DOI: 10.7270/Q2TH8MJW
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%