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PubMed code 17651969

Compile data set for download or QSAR
Found 96 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))
BDBM50218471
PNG
(4-[7,7,10,10-tetramethyl-5-propyl-2-(3-trifluorome...)
Show SMILES CCCN1c2ccc(NS(=O)(=O)c3cccc(c3)C(F)(F)F)cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C |t:26|
Show InChI InChI=1S/C38H38F3N3O4S/c1-6-18-44-32-15-14-26(43-49(47,48)27-9-7-8-25(19-27)38(39,40)41)20-31(32)42-34(23-10-12-24(13-11-23)35(45)46)28-21-29-30(22-33(28)44)37(4,5)17-16-36(29,2)3/h7-15,19-22,43H,6,16-18H2,1-5H3,(H,45,46)
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n/an/a 76n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human RXRalpha expressed in EK293 cells assessed as inhibition of 9-cis-retinoic acid-induced transactivation


Bioorg Med Chem Lett 17: 4808-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.079
BindingDB Entry DOI: 10.7270/Q2V40TWB
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50218455
PNG
(4-[5-ethyl-7,7,10,10-tetramethyl-2-(3-trifluoromet...)
Show SMILES CCN1c2ccc(NS(=O)(=O)c3cccc(c3)C(F)(F)F)cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C |t:25|
Show InChI InChI=1S/C37H36F3N3O4S/c1-6-43-31-15-14-25(42-48(46,47)26-9-7-8-24(18-26)37(38,39)40)19-30(31)41-33(22-10-12-23(13-11-22)34(44)45)27-20-28-29(21-32(27)43)36(4,5)17-16-35(28,2)3/h7-15,18-21,42H,6,16-17H2,1-5H3,(H,44,45)
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n/an/a 95n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human RXRalpha expressed in EK293 cells assessed as inhibition of 9-cis-retinoic acid-induced transactivation


Bioorg Med Chem Lett 17: 4808-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.079
BindingDB Entry DOI: 10.7270/Q2V40TWB
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50218481
PNG
(4-[2-(4-fluoro-benzenesulfonylamino)-7,7,10,10-tet...)
Show SMILES CCCN1c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C |t:23|
Show InChI InChI=1S/C37H38FN3O4S/c1-6-19-41-32-16-13-26(40-46(44,45)27-14-11-25(38)12-15-27)20-31(32)39-34(23-7-9-24(10-8-23)35(42)43)28-21-29-30(22-33(28)41)37(4,5)18-17-36(29,2)3/h7-16,20-22,40H,6,17-19H2,1-5H3,(H,42,43)
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n/an/a 130n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human RXRalpha expressed in EK293 cells assessed as inhibition of 9-cis-retinoic acid-induced transactivation


Bioorg Med Chem Lett 17: 4808-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.079
BindingDB Entry DOI: 10.7270/Q2V40TWB
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50218461
PNG
(4-[2-(butane-1-sulfonylamino)-7,7,10,10-tetramethy...)
Show SMILES CCCCS(=O)(=O)Nc1ccc2N(CCC)c3cc4c(cc3C(=Nc2c1)c1ccc(cc1)C(O)=O)C(C)(C)CCC4(C)C |c:23|
Show InChI InChI=1S/C35H43N3O4S/c1-7-9-19-43(41,42)37-25-14-15-30-29(20-25)36-32(23-10-12-24(13-11-23)33(39)40)26-21-27-28(22-31(26)38(30)18-8-2)35(5,6)17-16-34(27,3)4/h10-15,20-22,37H,7-9,16-19H2,1-6H3,(H,39,40)
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n/an/a 140n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human RXRalpha expressed in EK293 cells assessed as inhibition of 9-cis-retinoic acid-induced transactivation


Bioorg Med Chem Lett 17: 4808-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.079
BindingDB Entry DOI: 10.7270/Q2V40TWB
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50218455
PNG
(4-[5-ethyl-7,7,10,10-tetramethyl-2-(3-trifluoromet...)
Show SMILES CCN1c2ccc(NS(=O)(=O)c3cccc(c3)C(F)(F)F)cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C |t:25|
Show InChI InChI=1S/C37H36F3N3O4S/c1-6-43-31-15-14-25(42-48(46,47)26-9-7-8-24(18-26)37(38,39)40)19-30(31)41-33(22-10-12-23(13-11-22)34(44)45)27-20-28-29(21-32(27)43)36(4,5)17-16-35(28,2)3/h7-15,18-21,42H,6,16-17H2,1-5H3,(H,44,45)
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n/an/a 160n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human RXRalpha expressed in EK293 cells assessed as inhibition of LG100268-induced transactivation


Bioorg Med Chem Lett 17: 4808-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.079
BindingDB Entry DOI: 10.7270/Q2V40TWB
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50218471
PNG
(4-[7,7,10,10-tetramethyl-5-propyl-2-(3-trifluorome...)
Show SMILES CCCN1c2ccc(NS(=O)(=O)c3cccc(c3)C(F)(F)F)cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C |t:26|
Show InChI InChI=1S/C38H38F3N3O4S/c1-6-18-44-32-15-14-26(43-49(47,48)27-9-7-8-25(19-27)38(39,40)41)20-31(32)42-34(23-10-12-24(13-11-23)35(45)46)28-21-29-30(22-33(28)44)37(4,5)17-16-36(29,2)3/h7-15,19-22,43H,6,16-18H2,1-5H3,(H,45,46)
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n/an/a 190n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human RXRalpha expressed in EK293 cells assessed as inhibition of LG100268-induced transactivation


Bioorg Med Chem Lett 17: 4808-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.079
BindingDB Entry DOI: 10.7270/Q2V40TWB
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50218468
PNG
(4-[2-(4-fluoro-benzenesulfonylamino)-5,7,7,10,10-p...)
Show SMILES CN1c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C |t:21|
Show InChI InChI=1S/C35H34FN3O4S/c1-34(2)16-17-35(3,4)28-20-31-26(19-27(28)34)32(21-6-8-22(9-7-21)33(40)41)37-29-18-24(12-15-30(29)39(31)5)38-44(42,43)25-13-10-23(36)11-14-25/h6-15,18-20,38H,16-17H2,1-5H3,(H,40,41)
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n/an/a 190n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human RXRalpha expressed in EK293 cells assessed as inhibition of 9-cis-retinoic acid-induced transactivation


Bioorg Med Chem Lett 17: 4808-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.079
BindingDB Entry DOI: 10.7270/Q2V40TWB
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50218458
PNG
(4-[2-(butane-1-sulfonylamino)-5-ethyl-7,7,10,10-te...)
Show SMILES CCCCS(=O)(=O)Nc1ccc2N(CC)c3cc4c(cc3C(=Nc2c1)c1ccc(cc1)C(O)=O)C(C)(C)CCC4(C)C |c:22|
Show InChI InChI=1S/C34H41N3O4S/c1-7-9-18-42(40,41)36-24-14-15-29-28(19-24)35-31(22-10-12-23(13-11-22)32(38)39)25-20-26-27(21-30(25)37(29)8-2)34(5,6)17-16-33(26,3)4/h10-15,19-21,36H,7-9,16-18H2,1-6H3,(H,38,39)
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n/an/a 200n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human RXRalpha expressed in EK293 cells assessed as inhibition of 9-cis-retinoic acid-induced transactivation


Bioorg Med Chem Lett 17: 4808-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.079
BindingDB Entry DOI: 10.7270/Q2V40TWB
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50218492
PNG
(4-[5-ethyl-2-(4-fluoro-benzenesulfonylamino)-7,7,1...)
Show SMILES CCN1c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C |t:22|
Show InChI InChI=1S/C36H36FN3O4S/c1-6-40-31-16-13-25(39-45(43,44)26-14-11-24(37)12-15-26)19-30(31)38-33(22-7-9-23(10-8-22)34(41)42)27-20-28-29(21-32(27)40)36(4,5)18-17-35(28,2)3/h7-16,19-21,39H,6,17-18H2,1-5H3,(H,41,42)
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Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human RXRalpha expressed in EK293 cells assessed as inhibition of 9-cis-retinoic acid-induced transactivation


Bioorg Med Chem Lett 17: 4808-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.079
BindingDB Entry DOI: 10.7270/Q2V40TWB
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50218495
PNG
(4-[5,7,7,10,10-pentamethyl-2-(propane-1-sulfonylam...)
Show SMILES CCCS(=O)(=O)Nc1ccc2N(C)c3cc4c(cc3C(=Nc2c1)c1ccc(cc1)C(O)=O)C(C)(C)CCC4(C)C |c:20|
Show InChI InChI=1S/C32H37N3O4S/c1-7-16-40(38,39)34-22-12-13-27-26(17-22)33-29(20-8-10-21(11-9-20)30(36)37)23-18-24-25(19-28(23)35(27)6)32(4,5)15-14-31(24,2)3/h8-13,17-19,34H,7,14-16H2,1-6H3,(H,36,37)
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n/an/a 250n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human RXRalpha expressed in EK293 cells assessed as inhibition of 9-cis-retinoic acid-induced transactivation


Bioorg Med Chem Lett 17: 4808-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.079
BindingDB Entry DOI: 10.7270/Q2V40TWB
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50218458
PNG
(4-[2-(butane-1-sulfonylamino)-5-ethyl-7,7,10,10-te...)
Show SMILES CCCCS(=O)(=O)Nc1ccc2N(CC)c3cc4c(cc3C(=Nc2c1)c1ccc(cc1)C(O)=O)C(C)(C)CCC4(C)C |c:22|
Show InChI InChI=1S/C34H41N3O4S/c1-7-9-18-42(40,41)36-24-14-15-29-28(19-24)35-31(22-10-12-23(13-11-22)32(38)39)25-20-26-27(21-30(25)37(29)8-2)34(5,6)17-16-33(26,3)4/h10-15,19-21,36H,7-9,16-18H2,1-6H3,(H,38,39)
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n/an/a 320n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human RXRalpha expressed in EK293 cells assessed as inhibition of LG100268-induced transactivation


Bioorg Med Chem Lett 17: 4808-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.079
BindingDB Entry DOI: 10.7270/Q2V40TWB
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50218454
PNG
(4-[5-ethyl-7,7,10,10-tetramethyl-2-(propane-1-sulf...)
Show SMILES CCCS(=O)(=O)Nc1ccc2N(CC)c3cc4c(cc3C(=Nc2c1)c1ccc(cc1)C(O)=O)C(C)(C)CCC4(C)C |c:21|
Show InChI InChI=1S/C33H39N3O4S/c1-7-17-41(39,40)35-23-13-14-28-27(18-23)34-30(21-9-11-22(12-10-21)31(37)38)24-19-25-26(20-29(24)36(28)8-2)33(5,6)16-15-32(25,3)4/h9-14,18-20,35H,7-8,15-17H2,1-6H3,(H,37,38)
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Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human RXRalpha expressed in EK293 cells assessed as inhibition of 9-cis-retinoic acid-induced transactivation


Bioorg Med Chem Lett 17: 4808-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.079
BindingDB Entry DOI: 10.7270/Q2V40TWB
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50218469
PNG
(4-[2-(butane-1-sulfonylamino)-5,7,7,10,10-pentamet...)
Show SMILES CCCCS(=O)(=O)Nc1ccc2N(C)c3cc4c(cc3C(=Nc2c1)c1ccc(cc1)C(O)=O)C(C)(C)CCC4(C)C |c:21|
Show InChI InChI=1S/C33H39N3O4S/c1-7-8-17-41(39,40)35-23-13-14-28-27(18-23)34-30(21-9-11-22(12-10-21)31(37)38)24-19-25-26(20-29(24)36(28)6)33(4,5)16-15-32(25,2)3/h9-14,18-20,35H,7-8,15-17H2,1-6H3,(H,37,38)
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n/an/a 370n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human RXRalpha expressed in EK293 cells assessed as inhibition of 9-cis-retinoic acid-induced transactivation


Bioorg Med Chem Lett 17: 4808-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.079
BindingDB Entry DOI: 10.7270/Q2V40TWB
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50218496
PNG
(4-[5,7,7,10,10-pentamethyl-2-((E)-2-phenyl-ethenes...)
Show SMILES CN1c2ccc(NS(=O)(=O)\C=C\c3ccccc3)cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C |t:22|
Show InChI InChI=1S/C37H37N3O4S/c1-36(2)18-19-37(3,4)30-23-33-28(22-29(30)36)34(25-11-13-26(14-12-25)35(41)42)38-31-21-27(15-16-32(31)40(33)5)39-45(43,44)20-17-24-9-7-6-8-10-24/h6-17,20-23,39H,18-19H2,1-5H3,(H,41,42)/b20-17+
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n/an/a 400n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human RXRalpha expressed in EK293 cells assessed as inhibition of 9-cis-retinoic acid-induced transactivation


Bioorg Med Chem Lett 17: 4808-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.079
BindingDB Entry DOI: 10.7270/Q2V40TWB
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50218492
PNG
(4-[5-ethyl-2-(4-fluoro-benzenesulfonylamino)-7,7,1...)
Show SMILES CCN1c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C |t:22|
Show InChI InChI=1S/C36H36FN3O4S/c1-6-40-31-16-13-25(39-45(43,44)26-14-11-24(37)12-15-26)19-30(31)38-33(22-7-9-23(10-8-22)34(41)42)27-20-28-29(21-32(27)40)36(4,5)18-17-35(28,2)3/h7-16,19-21,39H,6,17-18H2,1-5H3,(H,41,42)
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Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human RXRalpha expressed in EK293 cells assessed as inhibition of LG100268-induced transactivation


Bioorg Med Chem Lett 17: 4808-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.079
BindingDB Entry DOI: 10.7270/Q2V40TWB
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50218499
PNG
(4-[5,7,7,10,10-pentamethyl-2-(toluene-4-sulfonylam...)
Show SMILES CN1c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C |t:21|
Show InChI InChI=1S/C36H37N3O4S/c1-22-7-14-26(15-8-22)44(42,43)38-25-13-16-31-30(19-25)37-33(23-9-11-24(12-10-23)34(40)41)27-20-28-29(21-32(27)39(31)6)36(4,5)18-17-35(28,2)3/h7-16,19-21,38H,17-18H2,1-6H3,(H,40,41)
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n/an/a 430n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human RXRalpha expressed in EK293 cells assessed as inhibition of 9-cis-retinoic acid-induced transactivation


Bioorg Med Chem Lett 17: 4808-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.079
BindingDB Entry DOI: 10.7270/Q2V40TWB
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50218490
PNG
(4-[2-(4-methoxy-benzenesulfonylamino)-5,7,7,10,10-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1ccc2N(C)c3cc4c(cc3C(=Nc2c1)c1ccc(cc1)C(O)=O)C(C)(C)CCC4(C)C |c:26|
Show InChI InChI=1S/C36H37N3O5S/c1-35(2)17-18-36(3,4)29-21-32-27(20-28(29)35)33(22-7-9-23(10-8-22)34(40)41)37-30-19-24(11-16-31(30)39(32)5)38-45(42,43)26-14-12-25(44-6)13-15-26/h7-16,19-21,38H,17-18H2,1-6H3,(H,40,41)
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n/an/a 470n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human RXRalpha expressed in EK293 cells assessed as inhibition of 9-cis-retinoic acid-induced transactivation


Bioorg Med Chem Lett 17: 4808-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.079
BindingDB Entry DOI: 10.7270/Q2V40TWB
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50218456
PNG
(4-[5,7,7,10,10-pentamethyl-2-(3-trifluoromethyl-be...)
Show SMILES CN1c2ccc(NS(=O)(=O)c3cccc(c3)C(F)(F)F)cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C |t:24|
Show InChI InChI=1S/C36H34F3N3O4S/c1-34(2)15-16-35(3,4)28-20-31-26(19-27(28)34)32(21-9-11-22(12-10-21)33(43)44)40-29-18-24(13-14-30(29)42(31)5)41-47(45,46)25-8-6-7-23(17-25)36(37,38)39/h6-14,17-20,41H,15-16H2,1-5H3,(H,43,44)
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Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human RXRalpha expressed in EK293 cells assessed as inhibition of 9-cis-retinoic acid-induced transactivation


Bioorg Med Chem Lett 17: 4808-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.079
BindingDB Entry DOI: 10.7270/Q2V40TWB
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50218466
PNG
(4-(2-benzenesulfonylamino-5,7,7,10,10-pentamethyl-...)
Show SMILES CN1c2ccc(NS(=O)(=O)c3ccccc3)cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C |t:20|
Show InChI InChI=1S/C35H35N3O4S/c1-34(2)17-18-35(3,4)28-21-31-26(20-27(28)34)32(22-11-13-23(14-12-22)33(39)40)36-29-19-24(15-16-30(29)38(31)5)37-43(41,42)25-9-7-6-8-10-25/h6-16,19-21,37H,17-18H2,1-5H3,(H,39,40)
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n/an/a 510n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human RXRalpha expressed in EK293 cells assessed as inhibition of 9-cis-retinoic acid-induced transactivation


Bioorg Med Chem Lett 17: 4808-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.079
BindingDB Entry DOI: 10.7270/Q2V40TWB
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50218457
PNG
(4-[7,7,10,10-tetramethyl-2-(propane-1-sulfonylamin...)
Show SMILES CCCN1c2ccc(NS(=O)(=O)CCC)cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C |t:18|
Show InChI InChI=1S/C34H41N3O4S/c1-7-17-37-29-14-13-24(36-42(40,41)18-8-2)19-28(29)35-31(22-9-11-23(12-10-22)32(38)39)25-20-26-27(21-30(25)37)34(5,6)16-15-33(26,3)4/h9-14,19-21,36H,7-8,15-18H2,1-6H3,(H,38,39)
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n/an/a 550n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human RXRalpha expressed in EK293 cells assessed as inhibition of 9-cis-retinoic acid-induced transactivation


Bioorg Med Chem Lett 17: 4808-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.079
BindingDB Entry DOI: 10.7270/Q2V40TWB
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50218454
PNG
(4-[5-ethyl-7,7,10,10-tetramethyl-2-(propane-1-sulf...)
Show SMILES CCCS(=O)(=O)Nc1ccc2N(CC)c3cc4c(cc3C(=Nc2c1)c1ccc(cc1)C(O)=O)C(C)(C)CCC4(C)C |c:21|
Show InChI InChI=1S/C33H39N3O4S/c1-7-17-41(39,40)35-23-13-14-28-27(18-23)34-30(21-9-11-22(12-10-21)31(37)38)24-19-25-26(20-29(24)36(28)8-2)33(5,6)16-15-32(25,3)4/h9-14,18-20,35H,7-8,15-17H2,1-6H3,(H,37,38)
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n/an/a 570n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human RXRalpha expressed in EK293 cells assessed as inhibition of LG100268-induced transactivation


Bioorg Med Chem Lett 17: 4808-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.079
BindingDB Entry DOI: 10.7270/Q2V40TWB
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50218472
PNG
(4-{5-ethyl-2-[2-(4-fluoro-phenyl)-acetylamino]-7,7...)
Show SMILES CCN1c2ccc(NC(=O)Cc3ccc(F)cc3)cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C |t:22|
Show InChI InChI=1S/C38H38FN3O3/c1-6-42-32-16-15-27(40-34(43)19-23-7-13-26(39)14-8-23)20-31(32)41-35(24-9-11-25(12-10-24)36(44)45)28-21-29-30(22-33(28)42)38(4,5)18-17-37(29,2)3/h7-16,20-22H,6,17-19H2,1-5H3,(H,40,43)(H,44,45)
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n/an/a 720n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human RXRalpha expressed in EK293 cells assessed as inhibition of 9-cis-retinoic acid-induced transactivation


Bioorg Med Chem Lett 17: 4808-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.079
BindingDB Entry DOI: 10.7270/Q2V40TWB
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50218481
PNG
(4-[2-(4-fluoro-benzenesulfonylamino)-7,7,10,10-tet...)
Show SMILES CCCN1c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C |t:23|
Show InChI InChI=1S/C37H38FN3O4S/c1-6-19-41-32-16-13-26(40-46(44,45)27-14-11-25(38)12-15-27)20-31(32)39-34(23-7-9-24(10-8-23)35(42)43)28-21-29-30(22-33(28)41)37(4,5)18-17-36(29,2)3/h7-16,20-22,40H,6,17-19H2,1-5H3,(H,42,43)
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n/an/a 810n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human RXRalpha expressed in EK293 cells assessed as inhibition of LG100268-induced transactivation


Bioorg Med Chem Lett 17: 4808-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.079
BindingDB Entry DOI: 10.7270/Q2V40TWB
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50218476
PNG
(4-(2-ethanesulfonylamino-5,7,7,10,10-pentamethyl-7...)
Show SMILES CCS(=O)(=O)Nc1ccc2N(C)c3cc4c(cc3C(=Nc2c1)c1ccc(cc1)C(O)=O)C(C)(C)CCC4(C)C |c:19|
Show InChI InChI=1S/C31H35N3O4S/c1-7-39(37,38)33-21-12-13-26-25(16-21)32-28(19-8-10-20(11-9-19)29(35)36)22-17-23-24(18-27(22)34(26)6)31(4,5)15-14-30(23,2)3/h8-13,16-18,33H,7,14-15H2,1-6H3,(H,35,36)
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n/an/a 840n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human RXRalpha expressed in EK293 cells assessed as inhibition of 9-cis-retinoic acid-induced transactivation


Bioorg Med Chem Lett 17: 4808-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.079
BindingDB Entry DOI: 10.7270/Q2V40TWB
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50218457
PNG
(4-[7,7,10,10-tetramethyl-2-(propane-1-sulfonylamin...)
Show SMILES CCCN1c2ccc(NS(=O)(=O)CCC)cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C |t:18|
Show InChI InChI=1S/C34H41N3O4S/c1-7-17-37-29-14-13-24(36-42(40,41)18-8-2)19-28(29)35-31(22-9-11-23(12-10-22)32(38)39)25-20-26-27(21-30(25)37)34(5,6)16-15-33(26,3)4/h9-14,19-21,36H,7-8,15-18H2,1-6H3,(H,38,39)
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n/an/a 840n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human RXRalpha expressed in EK293 cells assessed as inhibition of LG100268-induced transactivation


Bioorg Med Chem Lett 17: 4808-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.079
BindingDB Entry DOI: 10.7270/Q2V40TWB
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50218461
PNG
(4-[2-(butane-1-sulfonylamino)-7,7,10,10-tetramethy...)
Show SMILES CCCCS(=O)(=O)Nc1ccc2N(CCC)c3cc4c(cc3C(=Nc2c1)c1ccc(cc1)C(O)=O)C(C)(C)CCC4(C)C |c:23|
Show InChI InChI=1S/C35H43N3O4S/c1-7-9-19-43(41,42)37-25-14-15-30-29(20-25)36-32(23-10-12-24(13-11-23)33(39)40)26-21-27-28(22-31(26)38(30)18-8-2)35(5,6)17-16-34(27,3)4/h10-15,20-22,37H,7-9,16-19H2,1-6H3,(H,39,40)
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n/an/a 850n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human RXRalpha expressed in EK293 cells assessed as inhibition of LG100268-induced transactivation


Bioorg Med Chem Lett 17: 4808-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.079
BindingDB Entry DOI: 10.7270/Q2V40TWB
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50218483
PNG
(4-[5,7,7,10,10-pentamethyl-2-(naphthalene-1-sulfon...)
Show SMILES CN1c2ccc(NS(=O)(=O)c3cccc4ccccc34)cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C |t:25|
Show InChI InChI=1S/C39H37N3O4S/c1-38(2)19-20-39(3,4)31-23-34-29(22-30(31)38)36(25-13-15-26(16-14-25)37(43)44)40-32-21-27(17-18-33(32)42(34)5)41-47(45,46)35-12-8-10-24-9-6-7-11-28(24)35/h6-18,21-23,41H,19-20H2,1-5H3,(H,43,44)
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n/an/a 850n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human RXRalpha expressed in EK293 cells assessed as inhibition of 9-cis-retinoic acid-induced transactivation


Bioorg Med Chem Lett 17: 4808-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.079
BindingDB Entry DOI: 10.7270/Q2V40TWB
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50218487
PNG
(4-{2-[2-(4-fluoro-phenyl)-acetylamino]-5,7,7,10,10...)
Show SMILES CN1c2ccc(NC(=O)Cc3ccc(F)cc3)cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C |t:21|
Show InChI InChI=1S/C37H36FN3O3/c1-36(2)16-17-37(3,4)29-21-32-27(20-28(29)36)34(23-8-10-24(11-9-23)35(43)44)40-30-19-26(14-15-31(30)41(32)5)39-33(42)18-22-6-12-25(38)13-7-22/h6-15,19-21H,16-18H2,1-5H3,(H,39,42)(H,43,44)
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n/an/a 880n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human RXRalpha expressed in EK293 cells assessed as inhibition of 9-cis-retinoic acid-induced transactivation


Bioorg Med Chem Lett 17: 4808-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.079
BindingDB Entry DOI: 10.7270/Q2V40TWB
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50218488
PNG
(4-(2-benzoylamino-5,7,7,10,10-pentamethyl-7,8,9,10...)
Show SMILES CN1c2ccc(NC(=O)c3ccccc3)cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C |t:19|
Show InChI InChI=1S/C36H35N3O3/c1-35(2)17-18-36(3,4)28-21-31-26(20-27(28)35)32(22-11-13-24(14-12-22)34(41)42)38-29-19-25(15-16-30(29)39(31)5)37-33(40)23-9-7-6-8-10-23/h6-16,19-21H,17-18H2,1-5H3,(H,37,40)(H,41,42)
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n/an/a 900n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human RXRalpha expressed in EK293 cells assessed as inhibition of 9-cis-retinoic acid-induced transactivation


Bioorg Med Chem Lett 17: 4808-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.079
BindingDB Entry DOI: 10.7270/Q2V40TWB
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 900n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human RXRalpha expressed in EK293 cells assessed as inhibition of 9-cis-retinoic acid-induced transactivation


Bioorg Med Chem Lett 17: 4808-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.079
BindingDB Entry DOI: 10.7270/Q2V40TWB
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50218469
PNG
(4-[2-(butane-1-sulfonylamino)-5,7,7,10,10-pentamet...)
Show SMILES CCCCS(=O)(=O)Nc1ccc2N(C)c3cc4c(cc3C(=Nc2c1)c1ccc(cc1)C(O)=O)C(C)(C)CCC4(C)C |c:21|
Show InChI InChI=1S/C33H39N3O4S/c1-7-8-17-41(39,40)35-23-13-14-28-27(18-23)34-30(21-9-11-22(12-10-21)31(37)38)24-19-25-26(20-29(24)36(28)6)33(4,5)16-15-32(25,2)3/h9-14,18-20,35H,7-8,15-17H2,1-6H3,(H,37,38)
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n/an/a 910n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human RXRalpha expressed in EK293 cells assessed as inhibition of LG100268-induced transactivation


Bioorg Med Chem Lett 17: 4808-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.079
BindingDB Entry DOI: 10.7270/Q2V40TWB
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50218463
PNG
(4-(5,7,7,10,10-pentamethyl-2-phenylacetylamino-7,8...)
Show SMILES CN1c2ccc(NC(=O)Cc3ccccc3)cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C |t:20|
Show InChI InChI=1S/C37H37N3O3/c1-36(2)17-18-37(3,4)29-22-32-27(21-28(29)36)34(24-11-13-25(14-12-24)35(42)43)39-30-20-26(15-16-31(30)40(32)5)38-33(41)19-23-9-7-6-8-10-23/h6-16,20-22H,17-19H2,1-5H3,(H,38,41)(H,42,43)
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n/an/a 970n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human RXRalpha expressed in EK293 cells assessed as inhibition of 9-cis-retinoic acid-induced transactivation


Bioorg Med Chem Lett 17: 4808-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.079
BindingDB Entry DOI: 10.7270/Q2V40TWB
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50218465
PNG
(4-(5,7,7,10,10-pentamethyl-2-phenylmethanesulfonyl...)
Show SMILES CN1c2ccc(NS(=O)(=O)Cc3ccccc3)cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C |t:21|
Show InChI InChI=1S/C36H37N3O4S/c1-35(2)17-18-36(3,4)29-21-32-27(20-28(29)35)33(24-11-13-25(14-12-24)34(40)41)37-30-19-26(15-16-31(30)39(32)5)38-44(42,43)22-23-9-7-6-8-10-23/h6-16,19-21,38H,17-18,22H2,1-5H3,(H,40,41)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human RXRalpha expressed in EK293 cells assessed as inhibition of 9-cis-retinoic acid-induced transactivation


Bioorg Med Chem Lett 17: 4808-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.079
BindingDB Entry DOI: 10.7270/Q2V40TWB
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50218485
PNG
(4-[5,7,7,10,10-pentamethyl-2-(4-trifluoromethyl-be...)
Show SMILES CN1c2ccc(NS(=O)(=O)c3ccc(cc3)C(F)(F)F)cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C |t:24|
Show InChI InChI=1S/C36H34F3N3O4S/c1-34(2)16-17-35(3,4)28-20-31-26(19-27(28)34)32(21-6-8-22(9-7-21)33(43)44)40-29-18-24(12-15-30(29)42(31)5)41-47(45,46)25-13-10-23(11-14-25)36(37,38)39/h6-15,18-20,41H,16-17H2,1-5H3,(H,43,44)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human RXRalpha expressed in EK293 cells assessed as inhibition of 9-cis-retinoic acid-induced transactivation


Bioorg Med Chem Lett 17: 4808-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.079
BindingDB Entry DOI: 10.7270/Q2V40TWB
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50218482
PNG
(4-[2-(3-fluoro-benzenesulfonylamino)-5,7,7,10,10-p...)
Show SMILES CN1c2ccc(NS(=O)(=O)c3cccc(F)c3)cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C |t:21|
Show InChI InChI=1S/C35H34FN3O4S/c1-34(2)15-16-35(3,4)28-20-31-26(19-27(28)34)32(21-9-11-22(12-10-21)33(40)41)37-29-18-24(13-14-30(29)39(31)5)38-44(42,43)25-8-6-7-23(36)17-25/h6-14,17-20,38H,15-16H2,1-5H3,(H,40,41)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human RXRalpha expressed in EK293 cells assessed as inhibition of 9-cis-retinoic acid-induced transactivation


Bioorg Med Chem Lett 17: 4808-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.079
BindingDB Entry DOI: 10.7270/Q2V40TWB
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50218491
PNG
(4-[2-(3,5-bis-trifluoromethyl-benzenesulfonylamino...)
Show SMILES CN1c2ccc(NS(=O)(=O)c3cc(cc(c3)C(F)(F)F)C(F)(F)F)cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C |t:28|
Show InChI InChI=1S/C37H33F6N3O4S/c1-34(2)12-13-35(3,4)28-19-31-26(18-27(28)34)32(20-6-8-21(9-7-20)33(47)48)44-29-17-24(10-11-30(29)46(31)5)45-51(49,50)25-15-22(36(38,39)40)14-23(16-25)37(41,42)43/h6-11,14-19,45H,12-13H2,1-5H3,(H,47,48)
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Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human RXRalpha expressed in EK293 cells assessed as inhibition of 9-cis-retinoic acid-induced transactivation


Bioorg Med Chem Lett 17: 4808-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.079
BindingDB Entry DOI: 10.7270/Q2V40TWB
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50218472
PNG
(4-{5-ethyl-2-[2-(4-fluoro-phenyl)-acetylamino]-7,7...)
Show SMILES CCN1c2ccc(NC(=O)Cc3ccc(F)cc3)cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C |t:22|
Show InChI InChI=1S/C38H38FN3O3/c1-6-42-32-16-15-27(40-34(43)19-23-7-13-26(39)14-8-23)20-31(32)41-35(24-9-11-25(12-10-24)36(44)45)28-21-29-30(22-33(28)42)38(4,5)18-17-37(29,2)3/h7-16,20-22H,6,17-19H2,1-5H3,(H,40,43)(H,44,45)
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Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human RXRalpha expressed in EK293 cells assessed as inhibition of LG100268-induced transactivation


Bioorg Med Chem Lett 17: 4808-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.079
BindingDB Entry DOI: 10.7270/Q2V40TWB
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 1.20E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human RXRalpha expressed in EK293 cells assessed as inhibition of LG100268-induced transactivation


Bioorg Med Chem Lett 17: 4808-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.079
BindingDB Entry DOI: 10.7270/Q2V40TWB
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50218487
PNG
(4-{2-[2-(4-fluoro-phenyl)-acetylamino]-5,7,7,10,10...)
Show SMILES CN1c2ccc(NC(=O)Cc3ccc(F)cc3)cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C |t:21|
Show InChI InChI=1S/C37H36FN3O3/c1-36(2)16-17-37(3,4)29-21-32-27(20-28(29)36)34(23-8-10-24(11-9-23)35(43)44)40-30-19-26(14-15-31(30)41(32)5)39-33(42)18-22-6-12-25(38)13-7-22/h6-15,19-21H,16-18H2,1-5H3,(H,39,42)(H,43,44)
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n/an/a 1.30E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human RXRalpha expressed in EK293 cells assessed as inhibition of LG100268-induced transactivation


Bioorg Med Chem Lett 17: 4808-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.079
BindingDB Entry DOI: 10.7270/Q2V40TWB
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50218501
PNG
(4-[2-(biphenyl-4-sulfonylamino)-5,7,7,10,10-pentam...)
Show SMILES CN1c2ccc(NS(=O)(=O)c3ccc(cc3)-c3ccccc3)cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C |t:27|
Show InChI InChI=1S/C41H39N3O4S/c1-40(2)21-22-41(3,4)34-25-37-32(24-33(34)40)38(28-11-13-29(14-12-28)39(45)46)42-35-23-30(17-20-36(35)44(37)5)43-49(47,48)31-18-15-27(16-19-31)26-9-7-6-8-10-26/h6-20,23-25,43H,21-22H2,1-5H3,(H,45,46)
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Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human RXRalpha expressed in EK293 cells assessed as inhibition of 9-cis-retinoic acid-induced transactivation


Bioorg Med Chem Lett 17: 4808-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.079
BindingDB Entry DOI: 10.7270/Q2V40TWB
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50218466
PNG
(4-(2-benzenesulfonylamino-5,7,7,10,10-pentamethyl-...)
Show SMILES CN1c2ccc(NS(=O)(=O)c3ccccc3)cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C |t:20|
Show InChI InChI=1S/C35H35N3O4S/c1-34(2)17-18-35(3,4)28-21-31-26(20-27(28)34)32(22-11-13-23(14-12-22)33(39)40)36-29-19-24(15-16-30(29)38(31)5)37-43(41,42)25-9-7-6-8-10-25/h6-16,19-21,37H,17-18H2,1-5H3,(H,39,40)
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n/an/a 1.40E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human RXRalpha expressed in EK293 cells assessed as inhibition of LG100268-induced transactivation


Bioorg Med Chem Lett 17: 4808-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.079
BindingDB Entry DOI: 10.7270/Q2V40TWB
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50218474
PNG
(4-[5,7,7,10,10-pentamethyl-2-(2-trifluoromethyl-be...)
Show SMILES CN1c2ccc(NS(=O)(=O)c3ccccc3C(F)(F)F)cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C |t:24|
Show InChI InChI=1S/C36H34F3N3O4S/c1-34(2)16-17-35(3,4)27-20-30-24(19-26(27)34)32(21-10-12-22(13-11-21)33(43)44)40-28-18-23(14-15-29(28)42(30)5)41-47(45,46)31-9-7-6-8-25(31)36(37,38)39/h6-15,18-20,41H,16-17H2,1-5H3,(H,43,44)
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n/an/a 1.40E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human RXRalpha expressed in EK293 cells assessed as inhibition of 9-cis-retinoic acid-induced transactivation


Bioorg Med Chem Lett 17: 4808-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.079
BindingDB Entry DOI: 10.7270/Q2V40TWB
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50218475
PNG
(4-[2-(cyclohexanecarbonyl-amino)-5,7,7,10,10-penta...)
Show SMILES CN1c2ccc(NC(=O)C3CCCCC3)cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C |t:19|
Show InChI InChI=1S/C36H41N3O3/c1-35(2)17-18-36(3,4)28-21-31-26(20-27(28)35)32(22-11-13-24(14-12-22)34(41)42)38-29-19-25(15-16-30(29)39(31)5)37-33(40)23-9-7-6-8-10-23/h11-16,19-21,23H,6-10,17-18H2,1-5H3,(H,37,40)(H,41,42)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human RXRalpha expressed in EK293 cells assessed as inhibition of 9-cis-retinoic acid-induced transactivation


Bioorg Med Chem Lett 17: 4808-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.079
BindingDB Entry DOI: 10.7270/Q2V40TWB
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50218456
PNG
(4-[5,7,7,10,10-pentamethyl-2-(3-trifluoromethyl-be...)
Show SMILES CN1c2ccc(NS(=O)(=O)c3cccc(c3)C(F)(F)F)cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C |t:24|
Show InChI InChI=1S/C36H34F3N3O4S/c1-34(2)15-16-35(3,4)28-20-31-26(19-27(28)34)32(21-9-11-22(12-10-21)33(43)44)40-29-18-24(13-14-30(29)42(31)5)41-47(45,46)25-8-6-7-23(17-25)36(37,38)39/h6-14,17-20,41H,15-16H2,1-5H3,(H,43,44)
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Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human RXRalpha expressed in EK293 cells assessed as inhibition of LG100268-induced transactivation


Bioorg Med Chem Lett 17: 4808-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.079
BindingDB Entry DOI: 10.7270/Q2V40TWB
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50218470
PNG
(4-[2-(4-fluoro-benzoylamino)-5,7,7,10,10-pentameth...)
Show SMILES CN1c2ccc(NC(=O)c3ccc(F)cc3)cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C |t:20|
Show InChI InChI=1S/C36H34FN3O3/c1-35(2)16-17-36(3,4)28-20-31-26(19-27(28)35)32(21-6-8-23(9-7-21)34(42)43)39-29-18-25(14-15-30(29)40(31)5)38-33(41)22-10-12-24(37)13-11-22/h6-15,18-20H,16-17H2,1-5H3,(H,38,41)(H,42,43)
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n/an/a 1.60E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human RXRalpha expressed in EK293 cells assessed as inhibition of LG100268-induced transactivation


Bioorg Med Chem Lett 17: 4808-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.079
BindingDB Entry DOI: 10.7270/Q2V40TWB
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50218468
PNG
(4-[2-(4-fluoro-benzenesulfonylamino)-5,7,7,10,10-p...)
Show SMILES CN1c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C |t:21|
Show InChI InChI=1S/C35H34FN3O4S/c1-34(2)16-17-35(3,4)28-20-31-26(19-27(28)34)32(21-6-8-22(9-7-21)33(40)41)37-29-18-24(12-15-30(29)39(31)5)38-44(42,43)25-13-10-23(36)11-14-25/h6-15,18-20,38H,16-17H2,1-5H3,(H,40,41)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human RXRalpha expressed in EK293 cells assessed as inhibition of LG100268-induced transactivation


Bioorg Med Chem Lett 17: 4808-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.079
BindingDB Entry DOI: 10.7270/Q2V40TWB
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50218470
PNG
(4-[2-(4-fluoro-benzoylamino)-5,7,7,10,10-pentameth...)
Show SMILES CN1c2ccc(NC(=O)c3ccc(F)cc3)cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C |t:20|
Show InChI InChI=1S/C36H34FN3O3/c1-35(2)16-17-36(3,4)28-20-31-26(19-27(28)35)32(21-6-8-23(9-7-21)34(42)43)39-29-18-25(14-15-30(29)40(31)5)38-33(41)22-10-12-24(37)13-11-22/h6-15,18-20H,16-17H2,1-5H3,(H,38,41)(H,42,43)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human RXRalpha expressed in EK293 cells assessed as inhibition of 9-cis-retinoic acid-induced transactivation


Bioorg Med Chem Lett 17: 4808-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.079
BindingDB Entry DOI: 10.7270/Q2V40TWB
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50218479
PNG
(4-(2-butyrylamino-5,7,7,10,10-pentamethyl-7,8,9,10...)
Show SMILES CCCC(=O)Nc1ccc2N(C)c3cc4c(cc3C(=Nc2c1)c1ccc(cc1)C(O)=O)C(C)(C)CCC4(C)C |c:19|
Show InChI InChI=1S/C33H37N3O3/c1-7-8-29(37)34-22-13-14-27-26(17-22)35-30(20-9-11-21(12-10-20)31(38)39)23-18-24-25(19-28(23)36(27)6)33(4,5)16-15-32(24,2)3/h9-14,17-19H,7-8,15-16H2,1-6H3,(H,34,37)(H,38,39)
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n/an/a 1.80E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human RXRalpha expressed in EK293 cells assessed as inhibition of 9-cis-retinoic acid-induced transactivation


Bioorg Med Chem Lett 17: 4808-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.079
BindingDB Entry DOI: 10.7270/Q2V40TWB
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50218493
PNG
(4-(2-isobutyrylamino-5,7,7,10,10-pentamethyl-7,8,9...)
Show SMILES CC(C)C(=O)Nc1ccc2N(C)c3cc4c(cc3C(=Nc2c1)c1ccc(cc1)C(O)=O)C(C)(C)CCC4(C)C |c:19|
Show InChI InChI=1S/C33H37N3O3/c1-19(2)30(37)34-22-12-13-27-26(16-22)35-29(20-8-10-21(11-9-20)31(38)39)23-17-24-25(18-28(23)36(27)7)33(5,6)15-14-32(24,3)4/h8-13,16-19H,14-15H2,1-7H3,(H,34,37)(H,38,39)
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n/an/a 1.90E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human RXRalpha expressed in EK293 cells assessed as inhibition of 9-cis-retinoic acid-induced transactivation


Bioorg Med Chem Lett 17: 4808-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.079
BindingDB Entry DOI: 10.7270/Q2V40TWB
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50218488
PNG
(4-(2-benzoylamino-5,7,7,10,10-pentamethyl-7,8,9,10...)
Show SMILES CN1c2ccc(NC(=O)c3ccccc3)cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C |t:19|
Show InChI InChI=1S/C36H35N3O3/c1-35(2)17-18-36(3,4)28-21-31-26(20-27(28)35)32(22-11-13-24(14-12-22)34(41)42)38-29-19-25(15-16-30(29)39(31)5)37-33(40)23-9-7-6-8-10-23/h6-16,19-21H,17-18H2,1-5H3,(H,37,40)(H,41,42)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human RXRalpha expressed in EK293 cells assessed as inhibition of LG100268-induced transactivation


Bioorg Med Chem Lett 17: 4808-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.079
BindingDB Entry DOI: 10.7270/Q2V40TWB
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50218495
PNG
(4-[5,7,7,10,10-pentamethyl-2-(propane-1-sulfonylam...)
Show SMILES CCCS(=O)(=O)Nc1ccc2N(C)c3cc4c(cc3C(=Nc2c1)c1ccc(cc1)C(O)=O)C(C)(C)CCC4(C)C |c:20|
Show InChI InChI=1S/C32H37N3O4S/c1-7-16-40(38,39)34-22-12-13-27-26(17-22)33-29(20-8-10-21(11-9-20)30(36)37)23-18-24-25(19-28(23)35(27)6)32(4,5)15-14-31(24,2)3/h8-13,17-19,34H,7,14-16H2,1-6H3,(H,36,37)
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n/an/a 2.10E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human RXRalpha expressed in EK293 cells assessed as inhibition of LG100268-induced transactivation


Bioorg Med Chem Lett 17: 4808-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.079
BindingDB Entry DOI: 10.7270/Q2V40TWB
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50218485
PNG
(4-[5,7,7,10,10-pentamethyl-2-(4-trifluoromethyl-be...)
Show SMILES CN1c2ccc(NS(=O)(=O)c3ccc(cc3)C(F)(F)F)cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C |t:24|
Show InChI InChI=1S/C36H34F3N3O4S/c1-34(2)16-17-35(3,4)28-20-31-26(19-27(28)34)32(21-6-8-22(9-7-21)33(43)44)40-29-18-24(12-15-30(29)42(31)5)41-47(45,46)25-13-10-23(11-14-25)36(37,38)39/h6-15,18-20,41H,16-17H2,1-5H3,(H,43,44)
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n/an/a 2.20E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human RXRalpha expressed in EK293 cells assessed as inhibition of LG100268-induced transactivation


Bioorg Med Chem Lett 17: 4808-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.079
BindingDB Entry DOI: 10.7270/Q2V40TWB
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50218460
PNG
(4-(5,7,7,10,10-pentamethyl-2-propionylamino-7,8,9,...)
Show SMILES CCC(=O)Nc1ccc2N(C)c3cc4c(cc3C(=Nc2c1)c1ccc(cc1)C(O)=O)C(C)(C)CCC4(C)C |c:18|
Show InChI InChI=1S/C32H35N3O3/c1-7-28(36)33-21-12-13-26-25(16-21)34-29(19-8-10-20(11-9-19)30(37)38)22-17-23-24(18-27(22)35(26)6)32(4,5)15-14-31(23,2)3/h8-13,16-18H,7,14-15H2,1-6H3,(H,33,36)(H,37,38)
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n/an/a 2.20E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human RXRalpha expressed in EK293 cells assessed as inhibition of 9-cis-retinoic acid-induced transactivation


Bioorg Med Chem Lett 17: 4808-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.079
BindingDB Entry DOI: 10.7270/Q2V40TWB
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50218467
PNG
(4-[2-(2-fluoro-benzenesulfonylamino)-5,7,7,10,10-p...)
Show SMILES CN1c2ccc(NS(=O)(=O)c3ccccc3F)cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C |t:21|
Show InChI InChI=1S/C35H34FN3O4S/c1-34(2)16-17-35(3,4)26-20-30-24(19-25(26)34)32(21-10-12-22(13-11-21)33(40)41)37-28-18-23(14-15-29(28)39(30)5)38-44(42,43)31-9-7-6-8-27(31)36/h6-15,18-20,38H,16-17H2,1-5H3,(H,40,41)
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n/an/a 2.30E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human RXRalpha expressed in EK293 cells assessed as inhibition of 9-cis-retinoic acid-induced transactivation


Bioorg Med Chem Lett 17: 4808-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.079
BindingDB Entry DOI: 10.7270/Q2V40TWB
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50218482
PNG
(4-[2-(3-fluoro-benzenesulfonylamino)-5,7,7,10,10-p...)
Show SMILES CN1c2ccc(NS(=O)(=O)c3cccc(F)c3)cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C |t:21|
Show InChI InChI=1S/C35H34FN3O4S/c1-34(2)15-16-35(3,4)28-20-31-26(19-27(28)34)32(21-9-11-22(12-10-21)33(40)41)37-29-18-24(13-14-30(29)39(31)5)38-44(42,43)25-8-6-7-23(36)17-25/h6-14,17-20,38H,15-16H2,1-5H3,(H,40,41)
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n/an/a 2.30E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human RXRalpha expressed in EK293 cells assessed as inhibition of LG100268-induced transactivation


Bioorg Med Chem Lett 17: 4808-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.079
BindingDB Entry DOI: 10.7270/Q2V40TWB
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50218497
PNG
(4-(2-methanesulfonylamino-5,7,7,10,10-pentamethyl-...)
Show SMILES CN1c2ccc(NS(C)(=O)=O)cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C |t:14|
Show InChI InChI=1S/C30H33N3O4S/c1-29(2)13-14-30(3,4)23-17-26-21(16-22(23)29)27(18-7-9-19(10-8-18)28(34)35)31-24-15-20(32-38(6,36)37)11-12-25(24)33(26)5/h7-12,15-17,32H,13-14H2,1-6H3,(H,34,35)
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n/an/a 2.40E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human RXRalpha expressed in EK293 cells assessed as inhibition of 9-cis-retinoic acid-induced transactivation


Bioorg Med Chem Lett 17: 4808-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.079
BindingDB Entry DOI: 10.7270/Q2V40TWB
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50218463
PNG
(4-(5,7,7,10,10-pentamethyl-2-phenylacetylamino-7,8...)
Show SMILES CN1c2ccc(NC(=O)Cc3ccccc3)cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C |t:20|
Show InChI InChI=1S/C37H37N3O3/c1-36(2)17-18-37(3,4)29-22-32-27(21-28(29)36)34(24-11-13-25(14-12-24)35(42)43)39-30-20-26(15-16-31(30)40(32)5)38-33(41)19-23-9-7-6-8-10-23/h6-16,20-22H,17-19H2,1-5H3,(H,38,41)(H,42,43)
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n/an/a 2.50E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human RXRalpha expressed in EK293 cells assessed as inhibition of LG100268-induced transactivation


Bioorg Med Chem Lett 17: 4808-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.079
BindingDB Entry DOI: 10.7270/Q2V40TWB
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50218500
PNG
(4-[2-(3-benzyl-ureido)-5,7,7,10,10-pentamethyl-7,8...)
Show SMILES CN1c2ccc(NC(=O)NCc3ccccc3)cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C |t:21|
Show InChI InChI=1S/C37H38N4O3/c1-36(2)17-18-37(3,4)29-21-32-27(20-28(29)36)33(24-11-13-25(14-12-24)34(42)43)40-30-19-26(15-16-31(30)41(32)5)39-35(44)38-22-23-9-7-6-8-10-23/h6-16,19-21H,17-18,22H2,1-5H3,(H,42,43)(H2,38,39,44)
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n/an/a 2.50E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human RXRalpha expressed in EK293 cells assessed as inhibition of LG100268-induced transactivation


Bioorg Med Chem Lett 17: 4808-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.079
BindingDB Entry DOI: 10.7270/Q2V40TWB
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50218490
PNG
(4-[2-(4-methoxy-benzenesulfonylamino)-5,7,7,10,10-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1ccc2N(C)c3cc4c(cc3C(=Nc2c1)c1ccc(cc1)C(O)=O)C(C)(C)CCC4(C)C |c:26|
Show InChI InChI=1S/C36H37N3O5S/c1-35(2)17-18-36(3,4)29-21-32-27(20-28(29)35)33(22-7-9-23(10-8-22)34(40)41)37-30-19-24(11-16-31(30)39(32)5)38-45(42,43)26-14-12-25(44-6)13-15-26/h7-16,19-21,38H,17-18H2,1-6H3,(H,40,41)
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n/an/a 2.50E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human RXRalpha expressed in EK293 cells assessed as inhibition of LG100268-induced transactivation


Bioorg Med Chem Lett 17: 4808-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.079
BindingDB Entry DOI: 10.7270/Q2V40TWB
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50218499
PNG
(4-[5,7,7,10,10-pentamethyl-2-(toluene-4-sulfonylam...)
Show SMILES CN1c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C |t:21|
Show InChI InChI=1S/C36H37N3O4S/c1-22-7-14-26(15-8-22)44(42,43)38-25-13-16-31-30(19-25)37-33(23-9-11-24(12-10-23)34(40)41)27-20-28-29(21-32(27)39(31)6)36(4,5)18-17-35(28,2)3/h7-16,19-21,38H,17-18H2,1-6H3,(H,40,41)
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n/an/a 2.50E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human RXRalpha expressed in EK293 cells assessed as inhibition of LG100268-induced transactivation


Bioorg Med Chem Lett 17: 4808-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.079
BindingDB Entry DOI: 10.7270/Q2V40TWB
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50218474
PNG
(4-[5,7,7,10,10-pentamethyl-2-(2-trifluoromethyl-be...)
Show SMILES CN1c2ccc(NS(=O)(=O)c3ccccc3C(F)(F)F)cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C |t:24|
Show InChI InChI=1S/C36H34F3N3O4S/c1-34(2)16-17-35(3,4)27-20-30-24(19-26(27)34)32(21-10-12-22(13-11-21)33(43)44)40-28-18-23(14-15-29(28)42(30)5)41-47(45,46)31-9-7-6-8-25(31)36(37,38)39/h6-15,18-20,41H,16-17H2,1-5H3,(H,43,44)
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n/an/a 2.60E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human RXRalpha expressed in EK293 cells assessed as inhibition of LG100268-induced transactivation


Bioorg Med Chem Lett 17: 4808-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.079
BindingDB Entry DOI: 10.7270/Q2V40TWB
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50218500
PNG
(4-[2-(3-benzyl-ureido)-5,7,7,10,10-pentamethyl-7,8...)
Show SMILES CN1c2ccc(NC(=O)NCc3ccccc3)cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C |t:21|
Show InChI InChI=1S/C37H38N4O3/c1-36(2)17-18-37(3,4)29-21-32-27(20-28(29)36)33(24-11-13-25(14-12-24)34(42)43)40-30-19-26(15-16-31(30)41(32)5)39-35(44)38-22-23-9-7-6-8-10-23/h6-16,19-21H,17-18,22H2,1-5H3,(H,42,43)(H2,38,39,44)
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PubMed
n/an/a 2.80E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human RXRalpha expressed in EK293 cells assessed as inhibition of 9-cis-retinoic acid-induced transactivation


Bioorg Med Chem Lett 17: 4808-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.079
BindingDB Entry DOI: 10.7270/Q2V40TWB
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50218496
PNG
(4-[5,7,7,10,10-pentamethyl-2-((E)-2-phenyl-ethenes...)
Show SMILES CN1c2ccc(NS(=O)(=O)\C=C\c3ccccc3)cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C |t:22|
Show InChI InChI=1S/C37H37N3O4S/c1-36(2)18-19-37(3,4)30-23-33-28(22-29(30)36)34(25-11-13-26(14-12-25)35(41)42)38-31-21-27(15-16-32(31)40(33)5)39-45(43,44)20-17-24-9-7-6-8-10-24/h6-17,20-23,39H,18-19H2,1-5H3,(H,41,42)/b20-17+
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n/an/a 2.90E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human RXRalpha expressed in EK293 cells assessed as inhibition of LG100268-induced transactivation


Bioorg Med Chem Lett 17: 4808-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.079
BindingDB Entry DOI: 10.7270/Q2V40TWB
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50218484
PNG
(4-{2-[(adamantane-1-carbonyl)-amino]-5,7,7,10,10-p...)
Show SMILES CN1c2ccc(NC(=O)C34CC5CC(CC(C5)C3)C4)cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C |t:25,TLB:18:9:16:12.13.14,7:9:16:12.13.14,THB:18:13:10.9.17:16,14:13:10:17.15.16,14:15:10:12.18.13|
Show InChI InChI=1S/C40H45N3O3/c1-38(2)12-13-39(3,4)31-19-34-29(18-30(31)38)35(26-6-8-27(9-7-26)36(44)45)42-32-17-28(10-11-33(32)43(34)5)41-37(46)40-20-23-14-24(21-40)16-25(15-23)22-40/h6-11,17-19,23-25H,12-16,20-22H2,1-5H3,(H,41,46)(H,44,45)
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n/an/a 2.90E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human RXRalpha expressed in EK293 cells assessed as inhibition of 9-cis-retinoic acid-induced transactivation


Bioorg Med Chem Lett 17: 4808-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.079
BindingDB Entry DOI: 10.7270/Q2V40TWB
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50218478
PNG
(4-{2-[2-(4-fluoro-phenyl)-acetylamino]-7,7,10,10-t...)
Show SMILES CCCN1c2ccc(NC(=O)Cc3ccc(F)cc3)cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C |t:23|
Show InChI InChI=1S/C39H40FN3O3/c1-6-19-43-33-16-15-28(41-35(44)20-24-7-13-27(40)14-8-24)21-32(33)42-36(25-9-11-26(12-10-25)37(45)46)29-22-30-31(23-34(29)43)39(4,5)18-17-38(30,2)3/h7-16,21-23H,6,17-20H2,1-5H3,(H,41,44)(H,45,46)
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n/an/a 3.10E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human RXRalpha expressed in EK293 cells assessed as inhibition of 9-cis-retinoic acid-induced transactivation


Bioorg Med Chem Lett 17: 4808-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.079
BindingDB Entry DOI: 10.7270/Q2V40TWB
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50218486
PNG
(4-[2-(3-butyl-ureido)-5,7,7,10,10-pentamethyl-7,8,...)
Show SMILES CCCCNC(=O)Nc1ccc2N(C)c3cc4c(cc3C(=Nc2c1)c1ccc(cc1)C(O)=O)C(C)(C)CCC4(C)C |c:21|
Show InChI InChI=1S/C34H40N4O3/c1-7-8-17-35-32(41)36-23-13-14-28-27(18-23)37-30(21-9-11-22(12-10-21)31(39)40)24-19-25-26(20-29(24)38(28)6)34(4,5)16-15-33(25,2)3/h9-14,18-20H,7-8,15-17H2,1-6H3,(H,39,40)(H2,35,36,41)
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n/an/a 3.30E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human RXRalpha expressed in EK293 cells assessed as inhibition of 9-cis-retinoic acid-induced transactivation


Bioorg Med Chem Lett 17: 4808-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.079
BindingDB Entry DOI: 10.7270/Q2V40TWB
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50218483
PNG
(4-[5,7,7,10,10-pentamethyl-2-(naphthalene-1-sulfon...)
Show SMILES CN1c2ccc(NS(=O)(=O)c3cccc4ccccc34)cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C |t:25|
Show InChI InChI=1S/C39H37N3O4S/c1-38(2)19-20-39(3,4)31-23-34-29(22-30(31)38)36(25-13-15-26(16-14-25)37(43)44)40-32-21-27(17-18-33(32)42(34)5)41-47(45,46)35-12-8-10-24-9-6-7-11-28(24)35/h6-18,21-23,41H,19-20H2,1-5H3,(H,43,44)
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n/an/a 3.40E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human RXRalpha expressed in EK293 cells assessed as inhibition of LG100268-induced transactivation


Bioorg Med Chem Lett 17: 4808-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.079
BindingDB Entry DOI: 10.7270/Q2V40TWB
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50218486
PNG
(4-[2-(3-butyl-ureido)-5,7,7,10,10-pentamethyl-7,8,...)
Show SMILES CCCCNC(=O)Nc1ccc2N(C)c3cc4c(cc3C(=Nc2c1)c1ccc(cc1)C(O)=O)C(C)(C)CCC4(C)C |c:21|
Show InChI InChI=1S/C34H40N4O3/c1-7-8-17-35-32(41)36-23-13-14-28-27(18-23)37-30(21-9-11-22(12-10-21)31(39)40)24-19-25-26(20-29(24)38(28)6)34(4,5)16-15-33(25,2)3/h9-14,18-20H,7-8,15-17H2,1-6H3,(H,39,40)(H2,35,36,41)
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n/an/a 3.40E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human RXRalpha expressed in EK293 cells assessed as inhibition of LG100268-induced transactivation


Bioorg Med Chem Lett 17: 4808-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.079
BindingDB Entry DOI: 10.7270/Q2V40TWB
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50218480
PNG
(4-{5,7,7,10,10-pentamethyl-2-[(E)-(3-phenyl-acrylo...)
Show SMILES CN1c2ccc(NC(=O)\C=C\c3ccccc3)cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C |t:21|
Show InChI InChI=1S/C38H37N3O3/c1-37(2)19-20-38(3,4)30-23-33-28(22-29(30)37)35(25-12-14-26(15-13-25)36(43)44)40-31-21-27(16-17-32(31)41(33)5)39-34(42)18-11-24-9-7-6-8-10-24/h6-18,21-23H,19-20H2,1-5H3,(H,39,42)(H,43,44)/b18-11+
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n/an/a 3.80E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human RXRalpha expressed in EK293 cells assessed as inhibition of 9-cis-retinoic acid-induced transactivation


Bioorg Med Chem Lett 17: 4808-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.079
BindingDB Entry DOI: 10.7270/Q2V40TWB
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50218479
PNG
(4-(2-butyrylamino-5,7,7,10,10-pentamethyl-7,8,9,10...)
Show SMILES CCCC(=O)Nc1ccc2N(C)c3cc4c(cc3C(=Nc2c1)c1ccc(cc1)C(O)=O)C(C)(C)CCC4(C)C |c:19|
Show InChI InChI=1S/C33H37N3O3/c1-7-8-29(37)34-22-13-14-27-26(17-22)35-30(20-9-11-21(12-10-20)31(38)39)23-18-24-25(19-28(23)36(27)6)33(4,5)16-15-32(24,2)3/h9-14,17-19H,7-8,15-16H2,1-6H3,(H,34,37)(H,38,39)
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n/an/a 3.90E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human RXRalpha expressed in EK293 cells assessed as inhibition of LG100268-induced transactivation


Bioorg Med Chem Lett 17: 4808-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.079
BindingDB Entry DOI: 10.7270/Q2V40TWB
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50218478
PNG
(4-{2-[2-(4-fluoro-phenyl)-acetylamino]-7,7,10,10-t...)
Show SMILES CCCN1c2ccc(NC(=O)Cc3ccc(F)cc3)cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C |t:23|
Show InChI InChI=1S/C39H40FN3O3/c1-6-19-43-33-16-15-28(41-35(44)20-24-7-13-27(40)14-8-24)21-32(33)42-36(25-9-11-26(12-10-25)37(45)46)29-22-30-31(23-34(29)43)39(4,5)18-17-38(30,2)3/h7-16,21-23H,6,17-20H2,1-5H3,(H,41,44)(H,45,46)
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n/an/a 3.90E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human RXRalpha expressed in EK293 cells assessed as inhibition of LG100268-induced transactivation


Bioorg Med Chem Lett 17: 4808-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.079
BindingDB Entry DOI: 10.7270/Q2V40TWB
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50218477
PNG
(4-[5,7,7,10,10-pentamethyl-2-(3-trifluoromethyl-be...)
Show SMILES CN1c2ccc(NC(=O)c3cccc(c3)C(F)(F)F)cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C |t:23|
Show InChI InChI=1S/C37H34F3N3O3/c1-35(2)15-16-36(3,4)28-20-31-26(19-27(28)35)32(21-9-11-22(12-10-21)34(45)46)42-29-18-25(13-14-30(29)43(31)5)41-33(44)23-7-6-8-24(17-23)37(38,39)40/h6-14,17-20H,15-16H2,1-5H3,(H,41,44)(H,45,46)
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n/an/a 4.10E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human RXRalpha expressed in EK293 cells assessed as inhibition of LG100268-induced transactivation


Bioorg Med Chem Lett 17: 4808-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.079
BindingDB Entry DOI: 10.7270/Q2V40TWB
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50218491
PNG
(4-[2-(3,5-bis-trifluoromethyl-benzenesulfonylamino...)
Show SMILES CN1c2ccc(NS(=O)(=O)c3cc(cc(c3)C(F)(F)F)C(F)(F)F)cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C |t:28|
Show InChI InChI=1S/C37H33F6N3O4S/c1-34(2)12-13-35(3,4)28-19-31-26(18-27(28)34)32(20-6-8-21(9-7-20)33(47)48)44-29-17-24(10-11-30(29)46(31)5)45-51(49,50)25-15-22(36(38,39)40)14-23(16-25)37(41,42)43/h6-11,14-19,45H,12-13H2,1-5H3,(H,47,48)
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n/an/a 4.10E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human RXRalpha expressed in EK293 cells assessed as inhibition of LG100268-induced transactivation


Bioorg Med Chem Lett 17: 4808-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.079
BindingDB Entry DOI: 10.7270/Q2V40TWB
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50218477
PNG
(4-[5,7,7,10,10-pentamethyl-2-(3-trifluoromethyl-be...)
Show SMILES CN1c2ccc(NC(=O)c3cccc(c3)C(F)(F)F)cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C |t:23|
Show InChI InChI=1S/C37H34F3N3O3/c1-35(2)15-16-36(3,4)28-20-31-26(19-27(28)35)32(21-9-11-22(12-10-21)34(45)46)42-29-18-25(13-14-30(29)43(31)5)41-33(44)23-7-6-8-24(17-23)37(38,39)40/h6-14,17-20H,15-16H2,1-5H3,(H,41,44)(H,45,46)
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n/an/a 4.20E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human RXRalpha expressed in EK293 cells assessed as inhibition of 9-cis-retinoic acid-induced transactivation


Bioorg Med Chem Lett 17: 4808-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.079
BindingDB Entry DOI: 10.7270/Q2V40TWB
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50218497
PNG
(4-(2-methanesulfonylamino-5,7,7,10,10-pentamethyl-...)
Show SMILES CN1c2ccc(NS(C)(=O)=O)cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C |t:14|
Show InChI InChI=1S/C30H33N3O4S/c1-29(2)13-14-30(3,4)23-17-26-21(16-22(23)29)27(18-7-9-19(10-8-18)28(34)35)31-24-15-20(32-38(6,36)37)11-12-25(24)33(26)5/h7-12,15-17,32H,13-14H2,1-6H3,(H,34,35)
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n/an/a 4.40E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human RXRalpha expressed in EK293 cells assessed as inhibition of LG100268-induced transactivation


Bioorg Med Chem Lett 17: 4808-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.079
BindingDB Entry DOI: 10.7270/Q2V40TWB
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50218467
PNG
(4-[2-(2-fluoro-benzenesulfonylamino)-5,7,7,10,10-p...)
Show SMILES CN1c2ccc(NS(=O)(=O)c3ccccc3F)cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C |t:21|
Show InChI InChI=1S/C35H34FN3O4S/c1-34(2)16-17-35(3,4)26-20-30-24(19-25(26)34)32(21-10-12-22(13-11-21)33(40)41)37-28-18-23(14-15-29(28)39(30)5)38-44(42,43)31-9-7-6-8-27(31)36/h6-15,18-20,38H,16-17H2,1-5H3,(H,40,41)
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n/an/a 4.40E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human RXRalpha expressed in EK293 cells assessed as inhibition of LG100268-induced transactivation


Bioorg Med Chem Lett 17: 4808-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.079
BindingDB Entry DOI: 10.7270/Q2V40TWB
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50218475
PNG
(4-[2-(cyclohexanecarbonyl-amino)-5,7,7,10,10-penta...)
Show SMILES CN1c2ccc(NC(=O)C3CCCCC3)cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C |t:19|
Show InChI InChI=1S/C36H41N3O3/c1-35(2)17-18-36(3,4)28-21-31-26(20-27(28)35)32(22-11-13-24(14-12-22)34(41)42)38-29-19-25(15-16-30(29)39(31)5)37-33(40)23-9-7-6-8-10-23/h11-16,19-21,23H,6-10,17-18H2,1-5H3,(H,37,40)(H,41,42)
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n/an/a 4.50E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human RXRalpha expressed in EK293 cells assessed as inhibition of LG100268-induced transactivation


Bioorg Med Chem Lett 17: 4808-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.079
BindingDB Entry DOI: 10.7270/Q2V40TWB
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50218476
PNG
(4-(2-ethanesulfonylamino-5,7,7,10,10-pentamethyl-7...)
Show SMILES CCS(=O)(=O)Nc1ccc2N(C)c3cc4c(cc3C(=Nc2c1)c1ccc(cc1)C(O)=O)C(C)(C)CCC4(C)C |c:19|
Show InChI InChI=1S/C31H35N3O4S/c1-7-39(37,38)33-21-12-13-26-25(16-21)32-28(19-8-10-20(11-9-19)29(35)36)22-17-23-24(18-27(22)34(26)6)31(4,5)15-14-30(23,2)3/h8-13,16-18,33H,7,14-15H2,1-6H3,(H,35,36)
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n/an/a 4.90E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human RXRalpha expressed in EK293 cells assessed as inhibition of LG100268-induced transactivation


Bioorg Med Chem Lett 17: 4808-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.079
BindingDB Entry DOI: 10.7270/Q2V40TWB
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50218480
PNG
(4-{5,7,7,10,10-pentamethyl-2-[(E)-(3-phenyl-acrylo...)
Show SMILES CN1c2ccc(NC(=O)\C=C\c3ccccc3)cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C |t:21|
Show InChI InChI=1S/C38H37N3O3/c1-37(2)19-20-38(3,4)30-23-33-28(22-29(30)37)35(25-12-14-26(15-13-25)36(43)44)40-31-21-27(16-17-32(31)41(33)5)39-34(42)18-11-24-9-7-6-8-10-24/h6-18,21-23H,19-20H2,1-5H3,(H,39,42)(H,43,44)/b18-11+
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n/an/a 5.20E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human RXRalpha expressed in EK293 cells assessed as inhibition of LG100268-induced transactivation


Bioorg Med Chem Lett 17: 4808-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.079
BindingDB Entry DOI: 10.7270/Q2V40TWB
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50218465
PNG
(4-(5,7,7,10,10-pentamethyl-2-phenylmethanesulfonyl...)
Show SMILES CN1c2ccc(NS(=O)(=O)Cc3ccccc3)cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C |t:21|
Show InChI InChI=1S/C36H37N3O4S/c1-35(2)17-18-36(3,4)29-21-32-27(20-28(29)35)33(24-11-13-25(14-12-24)34(40)41)37-30-19-26(15-16-31(30)39(32)5)38-44(42,43)22-23-9-7-6-8-10-23/h6-16,19-21,38H,17-18,22H2,1-5H3,(H,40,41)
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n/an/a 5.20E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human RXRalpha expressed in EK293 cells assessed as inhibition of LG100268-induced transactivation


Bioorg Med Chem Lett 17: 4808-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.079
BindingDB Entry DOI: 10.7270/Q2V40TWB
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50218489
PNG
(4-[5,7,7,10,10-pentamethyl-2-(3-propyl-ureido)-7,8...)
Show SMILES CCCNC(=O)Nc1ccc2N(C)c3cc4c(cc3C(=Nc2c1)c1ccc(cc1)C(O)=O)C(C)(C)CCC4(C)C |c:20|
Show InChI InChI=1S/C33H38N4O3/c1-7-16-34-31(40)35-22-12-13-27-26(17-22)36-29(20-8-10-21(11-9-20)30(38)39)23-18-24-25(19-28(23)37(27)6)33(4,5)15-14-32(24,2)3/h8-13,17-19H,7,14-16H2,1-6H3,(H,38,39)(H2,34,35,40)
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n/an/a 5.20E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human RXRalpha expressed in EK293 cells assessed as inhibition of LG100268-induced transactivation


Bioorg Med Chem Lett 17: 4808-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.079
BindingDB Entry DOI: 10.7270/Q2V40TWB
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50218493
PNG
(4-(2-isobutyrylamino-5,7,7,10,10-pentamethyl-7,8,9...)
Show SMILES CC(C)C(=O)Nc1ccc2N(C)c3cc4c(cc3C(=Nc2c1)c1ccc(cc1)C(O)=O)C(C)(C)CCC4(C)C |c:19|
Show InChI InChI=1S/C33H37N3O3/c1-19(2)30(37)34-22-12-13-27-26(16-22)35-29(20-8-10-21(11-9-20)31(38)39)23-17-24-25(18-28(23)36(27)7)33(5,6)15-14-32(24,3)4/h8-13,16-19H,14-15H2,1-7H3,(H,34,37)(H,38,39)
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n/an/a 5.60E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human RXRalpha expressed in EK293 cells assessed as inhibition of LG100268-induced transactivation


Bioorg Med Chem Lett 17: 4808-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.079
BindingDB Entry DOI: 10.7270/Q2V40TWB
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50218489
PNG
(4-[5,7,7,10,10-pentamethyl-2-(3-propyl-ureido)-7,8...)
Show SMILES CCCNC(=O)Nc1ccc2N(C)c3cc4c(cc3C(=Nc2c1)c1ccc(cc1)C(O)=O)C(C)(C)CCC4(C)C |c:20|
Show InChI InChI=1S/C33H38N4O3/c1-7-16-34-31(40)35-22-12-13-27-26(17-22)36-29(20-8-10-21(11-9-20)30(38)39)23-18-24-25(19-28(23)37(27)6)33(4,5)15-14-32(24,2)3/h8-13,17-19H,7,14-16H2,1-6H3,(H,38,39)(H2,34,35,40)
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n/an/a 6.20E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human RXRalpha expressed in EK293 cells assessed as inhibition of 9-cis-retinoic acid-induced transactivation


Bioorg Med Chem Lett 17: 4808-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.079
BindingDB Entry DOI: 10.7270/Q2V40TWB
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50218501
PNG
(4-[2-(biphenyl-4-sulfonylamino)-5,7,7,10,10-pentam...)
Show SMILES CN1c2ccc(NS(=O)(=O)c3ccc(cc3)-c3ccccc3)cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C |t:27|
Show InChI InChI=1S/C41H39N3O4S/c1-40(2)21-22-41(3,4)34-25-37-32(24-33(34)40)38(28-11-13-29(14-12-28)39(45)46)42-35-23-30(17-20-36(35)44(37)5)43-49(47,48)31-18-15-27(16-19-31)26-9-7-6-8-10-26/h6-20,23-25,43H,21-22H2,1-5H3,(H,45,46)
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n/an/a 6.20E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human RXRalpha expressed in EK293 cells assessed as inhibition of LG100268-induced transactivation


Bioorg Med Chem Lett 17: 4808-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.079
BindingDB Entry DOI: 10.7270/Q2V40TWB
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50218460
PNG
(4-(5,7,7,10,10-pentamethyl-2-propionylamino-7,8,9,...)
Show SMILES CCC(=O)Nc1ccc2N(C)c3cc4c(cc3C(=Nc2c1)c1ccc(cc1)C(O)=O)C(C)(C)CCC4(C)C |c:18|
Show InChI InChI=1S/C32H35N3O3/c1-7-28(36)33-21-12-13-26-25(16-21)34-29(19-8-10-20(11-9-19)30(37)38)22-17-23-24(18-27(22)35(26)6)32(4,5)15-14-31(23,2)3/h8-13,16-18H,7,14-15H2,1-6H3,(H,33,36)(H,37,38)
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n/an/a 7.10E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human RXRalpha expressed in EK293 cells assessed as inhibition of LG100268-induced transactivation


Bioorg Med Chem Lett 17: 4808-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.079
BindingDB Entry DOI: 10.7270/Q2V40TWB
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50218484
PNG
(4-{2-[(adamantane-1-carbonyl)-amino]-5,7,7,10,10-p...)
Show SMILES CN1c2ccc(NC(=O)C34CC5CC(CC(C5)C3)C4)cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C |t:25,TLB:18:9:16:12.13.14,7:9:16:12.13.14,THB:18:13:10.9.17:16,14:13:10:17.15.16,14:15:10:12.18.13|
Show InChI InChI=1S/C40H45N3O3/c1-38(2)12-13-39(3,4)31-19-34-29(18-30(31)38)35(26-6-8-27(9-7-26)36(44)45)42-32-17-28(10-11-33(32)43(34)5)41-37(46)40-20-23-14-24(21-40)16-25(15-23)22-40/h6-11,17-19,23-25H,12-16,20-22H2,1-5H3,(H,41,46)(H,44,45)
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Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human RXRalpha expressed in EK293 cells assessed as inhibition of LG100268-induced transactivation


Bioorg Med Chem Lett 17: 4808-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.079
BindingDB Entry DOI: 10.7270/Q2V40TWB
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50218462
PNG
(4-[2-(3-ethyl-ureido)-5,7,7,10,10-pentamethyl-7,8,...)
Show SMILES CCNC(=O)Nc1ccc2N(C)c3cc4c(cc3C(=Nc2c1)c1ccc(cc1)C(O)=O)C(C)(C)CCC4(C)C |c:19|
Show InChI InChI=1S/C32H36N4O3/c1-7-33-30(39)34-21-12-13-26-25(16-21)35-28(19-8-10-20(11-9-19)29(37)38)22-17-23-24(18-27(22)36(26)6)32(4,5)15-14-31(23,2)3/h8-13,16-18H,7,14-15H2,1-6H3,(H,37,38)(H2,33,34,39)
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n/an/a 7.30E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human RXRalpha expressed in EK293 cells assessed as inhibition of 9-cis-retinoic acid-induced transactivation


Bioorg Med Chem Lett 17: 4808-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.079
BindingDB Entry DOI: 10.7270/Q2V40TWB
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50218462
PNG
(4-[2-(3-ethyl-ureido)-5,7,7,10,10-pentamethyl-7,8,...)
Show SMILES CCNC(=O)Nc1ccc2N(C)c3cc4c(cc3C(=Nc2c1)c1ccc(cc1)C(O)=O)C(C)(C)CCC4(C)C |c:19|
Show InChI InChI=1S/C32H36N4O3/c1-7-33-30(39)34-21-12-13-26-25(16-21)35-28(19-8-10-20(11-9-19)29(37)38)22-17-23-24(18-27(22)36(26)6)32(4,5)15-14-31(23,2)3/h8-13,16-18H,7,14-15H2,1-6H3,(H,37,38)(H2,33,34,39)
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n/an/a 7.40E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human RXRalpha expressed in EK293 cells assessed as inhibition of LG100268-induced transactivation


Bioorg Med Chem Lett 17: 4808-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.079
BindingDB Entry DOI: 10.7270/Q2V40TWB
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50218473
PNG
(4-(5,7,7,10,10-pentamethyl-2-methylamino-7,8,9,10-...)
Show SMILES CNc1ccc2N(C)c3cc4c(cc3C(=Nc2c1)c1ccc(cc1)C(O)=O)C(C)(C)CCC4(C)C |c:15|
Show InChI InChI=1S/C30H33N3O2/c1-29(2)13-14-30(3,4)23-17-26-21(16-22(23)29)27(18-7-9-19(10-8-18)28(34)35)32-24-15-20(31-5)11-12-25(24)33(26)6/h7-12,15-17,31H,13-14H2,1-6H3,(H,34,35)
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Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human RXRalpha expressed in EK293 cells assessed as inhibition of 9-cis-retinoic acid-induced transactivation


Bioorg Med Chem Lett 17: 4808-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.079
BindingDB Entry DOI: 10.7270/Q2V40TWB
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50218494
PNG
(4-(2-benzylamino-5,7,7,10,10-pentamethyl-7,8,9,10-...)
Show SMILES CCCCNc1ccc2N(C)c3cc4c(cc3C(=Nc2c1)c1ccc(cc1)C(O)=O)C(C)(C)CCC4(C)C |c:18|
Show InChI InChI=1S/C33H39N3O2/c1-7-8-17-34-23-13-14-28-27(18-23)35-30(21-9-11-22(12-10-21)31(37)38)24-19-25-26(20-29(24)36(28)6)33(4,5)16-15-32(25,2)3/h9-14,18-20,34H,7-8,15-17H2,1-6H3,(H,37,38)
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Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human RXRalpha expressed in EK293 cells assessed as inhibition of 9-cis-retinoic acid-induced transactivation


Bioorg Med Chem Lett 17: 4808-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.079
BindingDB Entry DOI: 10.7270/Q2V40TWB
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50218498
PNG
(4-(2-benzylamino-5,7,7,10,10-pentamethyl-7,8,9,10-...)
Show SMILES CN1c2ccc(NCc3ccccc3)cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C |t:18|
Show InChI InChI=1S/C36H37N3O2/c1-35(2)17-18-36(3,4)29-21-32-27(20-28(29)35)33(24-11-13-25(14-12-24)34(40)41)38-30-19-26(15-16-31(30)39(32)5)37-22-23-9-7-6-8-10-23/h6-16,19-21,37H,17-18,22H2,1-5H3,(H,40,41)
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Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human RXRalpha expressed in EK293 cells assessed as inhibition of 9-cis-retinoic acid-induced transactivation


Bioorg Med Chem Lett 17: 4808-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.079
BindingDB Entry DOI: 10.7270/Q2V40TWB
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50218459
PNG
(4-{7,7,10,10-tetramethyl-2-[(E)-(3-phenyl-acryloyl...)
Show SMILES CNC(=O)Nc1ccc2N(C)c3cc4c(cc3C(=Nc2c1)c1ccc(cc1)C(O)=O)C(C)(C)CCC4(C)C |c:18|
Show InChI InChI=1S/C31H34N4O3/c1-30(2)13-14-31(3,4)23-17-26-21(16-22(23)30)27(18-7-9-19(10-8-18)28(36)37)34-24-15-20(33-29(38)32-5)11-12-25(24)35(26)6/h7-12,15-17H,13-14H2,1-6H3,(H,36,37)(H2,32,33,38)
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n/an/a 1.40E+4n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human RXRalpha expressed in EK293 cells assessed as inhibition of LG100268-induced transactivation


Bioorg Med Chem Lett 17: 4808-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.079
BindingDB Entry DOI: 10.7270/Q2V40TWB
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50218459
PNG
(4-{7,7,10,10-tetramethyl-2-[(E)-(3-phenyl-acryloyl...)
Show SMILES CNC(=O)Nc1ccc2N(C)c3cc4c(cc3C(=Nc2c1)c1ccc(cc1)C(O)=O)C(C)(C)CCC4(C)C |c:18|
Show InChI InChI=1S/C31H34N4O3/c1-30(2)13-14-31(3,4)23-17-26-21(16-22(23)30)27(18-7-9-19(10-8-18)28(36)37)34-24-15-20(33-29(38)32-5)11-12-25(24)35(26)6/h7-12,15-17H,13-14H2,1-6H3,(H,36,37)(H2,32,33,38)
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n/an/a 1.50E+4n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human RXRalpha expressed in EK293 cells assessed as inhibition of 9-cis-retinoic acid-induced transactivation


Bioorg Med Chem Lett 17: 4808-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.079
BindingDB Entry DOI: 10.7270/Q2V40TWB
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50218498
PNG
(4-(2-benzylamino-5,7,7,10,10-pentamethyl-7,8,9,10-...)
Show SMILES CN1c2ccc(NCc3ccccc3)cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C |t:18|
Show InChI InChI=1S/C36H37N3O2/c1-35(2)17-18-36(3,4)29-21-32-27(20-28(29)35)33(24-11-13-25(14-12-24)34(40)41)38-30-19-26(15-16-31(30)39(32)5)37-22-23-9-7-6-8-10-23/h6-16,19-21,37H,17-18,22H2,1-5H3,(H,40,41)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human RXRalpha expressed in EK293 cells assessed as inhibition of LG100268-induced transactivation


Bioorg Med Chem Lett 17: 4808-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.079
BindingDB Entry DOI: 10.7270/Q2V40TWB
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50218494
PNG
(4-(2-benzylamino-5,7,7,10,10-pentamethyl-7,8,9,10-...)
Show SMILES CCCCNc1ccc2N(C)c3cc4c(cc3C(=Nc2c1)c1ccc(cc1)C(O)=O)C(C)(C)CCC4(C)C |c:18|
Show InChI InChI=1S/C33H39N3O2/c1-7-8-17-34-23-13-14-28-27(18-23)35-30(21-9-11-22(12-10-21)31(37)38)24-19-25-26(20-29(24)36(28)6)33(4,5)16-15-32(25,2)3/h9-14,18-20,34H,7-8,15-17H2,1-6H3,(H,37,38)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human RXRalpha expressed in EK293 cells assessed as inhibition of LG100268-induced transactivation


Bioorg Med Chem Lett 17: 4808-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.079
BindingDB Entry DOI: 10.7270/Q2V40TWB
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50218473
PNG
(4-(5,7,7,10,10-pentamethyl-2-methylamino-7,8,9,10-...)
Show SMILES CNc1ccc2N(C)c3cc4c(cc3C(=Nc2c1)c1ccc(cc1)C(O)=O)C(C)(C)CCC4(C)C |c:15|
Show InChI InChI=1S/C30H33N3O2/c1-29(2)13-14-30(3,4)23-17-26-21(16-22(23)29)27(18-7-9-19(10-8-18)28(34)35)32-24-15-20(31-5)11-12-25(24)33(26)6/h7-12,15-17,31H,13-14H2,1-6H3,(H,34,35)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human RXRalpha expressed in EK293 cells assessed as inhibition of LG100268-induced transactivation


Bioorg Med Chem Lett 17: 4808-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.079
BindingDB Entry DOI: 10.7270/Q2V40TWB
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%