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Compile Data Set for Download or QSAR

Found 156 hits with Last Name = 'uchiyama' and Initial = 'h'   
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))
BDBM50218438
PNG
(4-[5,7,7,10,10-pentamethyl-2-(4-trifluoromethoxy-b...)
Show SMILES CN1c2ccc(cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C)S(=O)(=O)c1ccc(OC(F)(F)F)cc1 |t:9|
Show InChI InChI=1S/C36H33F3N2O5S/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(42)43)40-29-18-25(14-15-30(29)41(31)5)47(44,45)24-12-10-23(11-13-24)46-36(37,38)39/h6-15,18-20H,16-17H2,1-5H3,(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
Inhibition of 9-cis-retinoic acid-induced RXRalpha transactivation


Bioorg Med Chem Lett 17: 4804-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.080
BindingDB Entry DOI: 10.7270/Q2ZS2W7W
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))
BDBM50218429
PNG
(4-[2-(4-methoxy-benzenesulfonyl)-5,7,7,10,10-penta...)
Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc2N(C)c3cc4c(cc3C(=Nc2c1)c1ccc(cc1)C(O)=O)C(C)(C)CCC4(C)C |c:25|
Show InChI InChI=1S/C36H36N2O5S/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(39)40)37-30-19-26(15-16-31(30)38(32)5)44(41,42)25-13-11-24(43-6)12-14-25/h7-16,19-21H,17-18H2,1-6H3,(H,39,40)
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n/an/a 170n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of 9-cis-retinoic acid-induced RXRalpha transactivation


Bioorg Med Chem Lett 17: 4804-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.080
BindingDB Entry DOI: 10.7270/Q2ZS2W7W
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))
BDBM50218448
PNG
(4-(2-butylsulfamoyl-5,7,7,10,10-pentamethyl-7,8,9,...)
Show SMILES CCCCNS(=O)(=O)c1ccc2N(C)c3cc4c(cc3C(=Nc2c1)c1ccc(cc1)C(O)=O)C(C)(C)CCC4(C)C |c:21|
Show InChI InChI=1S/C33H39N3O4S/c1-7-8-17-34-41(39,40)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 190n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of 9-cis-retinoic acid-induced RXRalpha transactivation


Bioorg Med Chem Lett 17: 4804-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.080
BindingDB Entry DOI: 10.7270/Q2ZS2W7W
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))
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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n/an/a 220n/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))
BDBM50218438
PNG
(4-[5,7,7,10,10-pentamethyl-2-(4-trifluoromethoxy-b...)
Show SMILES CN1c2ccc(cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C)S(=O)(=O)c1ccc(OC(F)(F)F)cc1 |t:9|
Show InChI InChI=1S/C36H33F3N2O5S/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(42)43)40-29-18-25(14-15-30(29)41(31)5)47(44,45)24-12-10-23(11-13-24)46-36(37,38)39/h6-15,18-20H,16-17H2,1-5H3,(H,42,43)
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n/an/a 240n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of LG100268-induced RXRalpha transactivation


Bioorg Med Chem Lett 17: 4804-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.080
BindingDB Entry DOI: 10.7270/Q2ZS2W7W
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))
BDBM50218433
PNG
(4-(2-cyano-5-ethyl-7,7,10,10-tetramethyl-7,8,9,10-...)
Show SMILES CCN1c2ccc(cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C)C#N |t:10|
Show InChI InChI=1S/C31H31N3O2/c1-6-34-26-12-7-19(18-32)15-25(26)33-28(20-8-10-21(11-9-20)29(35)36)22-16-23-24(17-27(22)34)31(4,5)14-13-30(23,2)3/h7-12,15-17H,6,13-14H2,1-5H3,(H,35,36)
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n/an/a 320n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of 9-cis-retinoic acid-induced RXRalpha transactivation


Bioorg Med Chem Lett 17: 4804-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.080
BindingDB Entry DOI: 10.7270/Q2ZS2W7W
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 340n/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))
BDBM50218429
PNG
(4-[2-(4-methoxy-benzenesulfonyl)-5,7,7,10,10-penta...)
Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc2N(C)c3cc4c(cc3C(=Nc2c1)c1ccc(cc1)C(O)=O)C(C)(C)CCC4(C)C |c:25|
Show InChI InChI=1S/C36H36N2O5S/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(39)40)37-30-19-26(15-16-31(30)38(32)5)44(41,42)25-13-11-24(43-6)12-14-25/h7-16,19-21H,17-18H2,1-6H3,(H,39,40)
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n/an/a 360n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of LG100268-induced RXRalpha transactivation


Bioorg Med Chem Lett 17: 4804-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.080
BindingDB Entry DOI: 10.7270/Q2ZS2W7W
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))
BDBM50218434
PNG
(4-[5,7,7,10,10-pentamethyl-2-(4-trifluoromethoxy-p...)
Show SMILES CN1c2ccc(Sc3ccc(OC(F)(F)F)cc3)cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C |t:22|
Show InChI InChI=1S/C36H33F3N2O3S/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(42)43)40-29-18-25(14-15-30(29)41(31)5)45-24-12-10-23(11-13-24)44-36(37,38)39/h6-15,18-20H,16-17H2,1-5H3,(H,42,43)
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n/an/a 390n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of 9-cis-retinoic acid-induced RXRalpha transactivation


Bioorg Med Chem Lett 17: 4804-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.080
BindingDB Entry DOI: 10.7270/Q2ZS2W7W
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))
BDBM50218448
PNG
(4-(2-butylsulfamoyl-5,7,7,10,10-pentamethyl-7,8,9,...)
Show SMILES CCCCNS(=O)(=O)c1ccc2N(C)c3cc4c(cc3C(=Nc2c1)c1ccc(cc1)C(O)=O)C(C)(C)CCC4(C)C |c:21|
Show InChI InChI=1S/C33H39N3O4S/c1-7-8-17-34-41(39,40)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 410n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of LG100268-induced RXRalpha transactivation


Bioorg Med Chem Lett 17: 4804-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.080
BindingDB Entry DOI: 10.7270/Q2ZS2W7W
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50218446
PNG
(4-[2-(4-chloro-phenylmethanesulfonyl)-5,7,7,10,10-...)
Show SMILES CN1c2ccc(cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C)S(=O)(=O)Cc1ccc(Cl)cc1 |t:9|
Show InChI InChI=1S/C36H35ClN2O4S/c1-35(2)16-17-36(3,4)29-20-32-27(19-28(29)35)33(23-8-10-24(11-9-23)34(40)41)38-30-18-26(14-15-31(30)39(32)5)44(42,43)21-22-6-12-25(37)13-7-22/h6-15,18-20H,16-17,21H2,1-5H3,(H,40,41)
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n/an/a 420n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of 9-cis-retinoic acid-induced RXRalpha transactivation


Bioorg Med Chem Lett 17: 4804-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.080
BindingDB Entry DOI: 10.7270/Q2ZS2W7W
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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n/an/a 420n/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 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))
BDBM50218436
PNG
(4-(2-cyano-5,7,7,10,10-pentamethyl-7,8,9,10-tetrah...)
Show SMILES CN1c2ccc(cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C)C#N |t:9|
Show InChI InChI=1S/C30H29N3O2/c1-29(2)12-13-30(3,4)23-16-26-21(15-22(23)29)27(19-7-9-20(10-8-19)28(34)35)32-24-14-18(17-31)6-11-25(24)33(26)5/h6-11,14-16H,12-13H2,1-5H3,(H,34,35)
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n/an/a 430n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of 9-cis-retinoic acid-induced RXRalpha transactivation


Bioorg Med Chem Lett 17: 4804-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.080
BindingDB Entry DOI: 10.7270/Q2ZS2W7W
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50218428
PNG
(4-[5,7,7,10,10-pentamethyl-2-(morpholine-4-sulfony...)
Show SMILES CN1c2ccc(cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C)S(=O)(=O)N1CCOCC1 |t:9|
Show InChI InChI=1S/C33H37N3O5S/c1-32(2)12-13-33(3,4)26-20-29-24(19-25(26)32)30(21-6-8-22(9-7-21)31(37)38)34-27-18-23(10-11-28(27)35(29)5)42(39,40)36-14-16-41-17-15-36/h6-11,18-20H,12-17H2,1-5H3,(H,37,38)
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n/an/a 450n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of 9-cis-retinoic acid-induced RXRalpha transactivation


Bioorg Med Chem Lett 17: 4804-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.080
BindingDB Entry DOI: 10.7270/Q2ZS2W7W
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50218444
PNG
(4-[5,7,7,10,10-pentamethyl-2-(pyrrolidine-1-sulfon...)
Show SMILES CN1c2ccc(cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C)S(=O)(=O)N1CCCC1 |t:9|
Show InChI InChI=1S/C33H37N3O4S/c1-32(2)14-15-33(3,4)26-20-29-24(19-25(26)32)30(21-8-10-22(11-9-21)31(37)38)34-27-18-23(12-13-28(27)35(29)5)41(39,40)36-16-6-7-17-36/h8-13,18-20H,6-7,14-17H2,1-5H3,(H,37,38)
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n/an/a 450n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of 9-cis-retinoic acid-induced RXRalpha transactivation


Bioorg Med Chem Lett 17: 4804-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.080
BindingDB Entry DOI: 10.7270/Q2ZS2W7W
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50218453
PNG
(4-[5,7,7,10,10-pentamethyl-2-(propane-1-sulfonyl)-...)
Show SMILES CCCS(=O)(=O)c1ccc2N(C)c3cc4c(cc3C(=Nc2c1)c1ccc(cc1)C(O)=O)C(C)(C)CCC4(C)C |c:19|
Show InChI InChI=1S/C32H36N2O4S/c1-7-16-39(37,38)22-12-13-27-26(17-22)33-29(20-8-10-21(11-9-20)30(35)36)23-18-24-25(19-28(23)34(27)6)32(4,5)15-14-31(24,2)3/h8-13,17-19H,7,14-16H2,1-6H3,(H,35,36)
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n/an/a 450n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of 9-cis-retinoic acid-induced RXRalpha transactivation


Bioorg Med Chem Lett 17: 4804-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.080
BindingDB Entry DOI: 10.7270/Q2ZS2W7W
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50218427
PNG
(4-[5,7,7,10,10-pentamethyl-2-(4-trifluoromethoxy-p...)
Show SMILES CN1c2ccc(cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C)S(=O)(=O)Nc1ccc(OC(F)(F)F)cc1 |t:9|
Show InChI InChI=1S/C36H34F3N3O5S/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)40-29-18-25(14-15-30(29)42(31)5)48(45,46)41-23-10-12-24(13-11-23)47-36(37,38)39/h6-15,18-20,41H,16-17H2,1-5H3,(H,43,44)
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n/an/a 460n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of 9-cis-retinoic acid-induced RXRalpha transactivation


Bioorg Med Chem Lett 17: 4804-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.080
BindingDB Entry DOI: 10.7270/Q2ZS2W7W
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))
BDBM50218433
PNG
(4-(2-cyano-5-ethyl-7,7,10,10-tetramethyl-7,8,9,10-...)
Show SMILES CCN1c2ccc(cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C)C#N |t:10|
Show InChI InChI=1S/C31H31N3O2/c1-6-34-26-12-7-19(18-32)15-25(26)33-28(20-8-10-21(11-9-20)29(35)36)22-16-23-24(17-27(22)34)31(4,5)14-13-30(23,2)3/h7-12,15-17H,6,13-14H2,1-5H3,(H,35,36)
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n/an/a 480n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of LG100268-induced RXRalpha transactivation


Bioorg Med Chem Lett 17: 4804-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.080
BindingDB Entry DOI: 10.7270/Q2ZS2W7W
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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n/an/a 480n/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))
BDBM50218424
PNG
(4-(2-cyano-5-ethyl-7,7,10,10-tetramethyl-7,8,9,10-...)
Show SMILES CCN1c2ccc(cc2N=C(c2ccc(C(O)=O)c(F)c2)c2cc3c(cc12)C(C)(C)CCC3(C)C)C#N |t:10|
Show InChI InChI=1S/C31H30FN3O2/c1-6-35-26-10-7-18(17-33)13-25(26)34-28(19-8-9-20(29(36)37)24(32)14-19)21-15-22-23(16-27(21)35)31(4,5)12-11-30(22,2)3/h7-10,13-16H,6,11-12H2,1-5H3,(H,36,37)
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n/an/a 500n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of 9-cis-retinoic acid-induced RXRalpha transactivation


Bioorg Med Chem Lett 17: 4804-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.080
BindingDB Entry DOI: 10.7270/Q2ZS2W7W
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))
BDBM50218432
PNG
(4-(2-cyano-5,7,7,10,10-pentamethyl-7,8,9,10-tetrah...)
Show SMILES CN1c2ccc(cc2N=C(c2ccc(C(O)=O)c(F)c2)c2cc3c(cc12)C(C)(C)CCC3(C)C)C#N |t:9|
Show InChI InChI=1S/C30H28FN3O2/c1-29(2)10-11-30(3,4)22-15-26-20(14-21(22)29)27(18-7-8-19(28(35)36)23(31)13-18)33-24-12-17(16-32)6-9-25(24)34(26)5/h6-9,12-15H,10-11H2,1-5H3,(H,35,36)
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n/an/a 520n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of 9-cis-retinoic acid-induced RXRalpha transactivation


Bioorg Med Chem Lett 17: 4804-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.080
BindingDB Entry DOI: 10.7270/Q2ZS2W7W
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50218441
PNG
(4-(2-cyano-5-ethyl-7,7,10,10-tetramethyl-7,8,9,10-...)
Show SMILES CCN1c2ccc(cc2N=C(c2ccc(cc2F)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C)C#N |t:10|
Show InChI InChI=1S/C31H30FN3O2/c1-6-35-26-10-7-18(17-33)13-25(26)34-28(20-9-8-19(29(36)37)14-24(20)32)21-15-22-23(16-27(21)35)31(4,5)12-11-30(22,2)3/h7-10,13-16H,6,11-12H2,1-5H3,(H,36,37)
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n/an/a 530n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of 9-cis-retinoic acid-induced RXRalpha transactivation


Bioorg Med Chem Lett 17: 4804-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.080
BindingDB Entry DOI: 10.7270/Q2ZS2W7W
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))
BDBM50218449
PNG
(4-[2-(4-chloro-benzylsulfanyl)-5,7,7,10,10-pentame...)
Show SMILES CN1c2ccc(SCc3ccc(Cl)cc3)cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C |t:19|
Show InChI InChI=1S/C36H35ClN2O2S/c1-35(2)16-17-36(3,4)29-20-32-27(19-28(29)35)33(23-8-10-24(11-9-23)34(40)41)38-30-18-26(14-15-31(30)39(32)5)42-21-22-6-12-25(37)13-7-22/h6-15,18-20H,16-17,21H2,1-5H3,(H,40,41)
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n/an/a 670n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of 9-cis-retinoic acid-induced RXRalpha transactivation


Bioorg Med Chem Lett 17: 4804-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.080
BindingDB Entry DOI: 10.7270/Q2ZS2W7W
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))
BDBM50218451
PNG
(4-[2-(4-methoxy-phenylsulfanyl)-5,7,7,10,10-pentam...)
Show SMILES COc1ccc(Sc2ccc3N(C)c4cc5c(cc4C(=Nc3c2)c2ccc(cc2)C(O)=O)C(C)(C)CCC5(C)C)cc1 |c:20|
Show InChI InChI=1S/C36H36N2O3S/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(39)40)37-30-19-26(15-16-31(30)38(32)5)42-25-13-11-24(41-6)12-14-25/h7-16,19-21H,17-18H2,1-6H3,(H,39,40)
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n/an/a 720n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of 9-cis-retinoic acid-induced RXRalpha transactivation


Bioorg Med Chem Lett 17: 4804-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.080
BindingDB Entry DOI: 10.7270/Q2ZS2W7W
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50218424
PNG
(4-(2-cyano-5-ethyl-7,7,10,10-tetramethyl-7,8,9,10-...)
Show SMILES CCN1c2ccc(cc2N=C(c2ccc(C(O)=O)c(F)c2)c2cc3c(cc12)C(C)(C)CCC3(C)C)C#N |t:10|
Show InChI InChI=1S/C31H30FN3O2/c1-6-35-26-10-7-18(17-33)13-25(26)34-28(19-8-9-20(29(36)37)24(32)14-19)21-15-22-23(16-27(21)35)31(4,5)12-11-30(22,2)3/h7-10,13-16H,6,11-12H2,1-5H3,(H,36,37)
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n/an/a 770n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of LG100268-induced RXRalpha transactivation


Bioorg Med Chem Lett 17: 4804-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.080
BindingDB Entry DOI: 10.7270/Q2ZS2W7W
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50218425
PNG
(4-[2-(4-methoxy-phenylmethanesulfonyl)-5,7,7,10,10...)
Show SMILES COc1ccc(CS(=O)(=O)c2ccc3N(C)c4cc5c(cc4C(=Nc3c2)c2ccc(cc2)C(O)=O)C(C)(C)CCC5(C)C)cc1 |c:23|
Show InChI InChI=1S/C37H38N2O5S/c1-36(2)17-18-37(3,4)30-21-33-28(20-29(30)36)34(24-9-11-25(12-10-24)35(40)41)38-31-19-27(15-16-32(31)39(33)5)45(42,43)22-23-7-13-26(44-6)14-8-23/h7-16,19-21H,17-18,22H2,1-6H3,(H,40,41)
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n/an/a 780n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of 9-cis-retinoic acid-induced RXRalpha transactivation


Bioorg Med Chem Lett 17: 4804-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.080
BindingDB Entry DOI: 10.7270/Q2ZS2W7W
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50218442
PNG
(4-(2-acetyl-5-ethyl-7,7,10,10-tetramethyl-7,8,9,10...)
Show SMILES CCN1c2ccc(cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C)C(C)=O |t:10|
Show InChI InChI=1S/C32H34N2O3/c1-7-34-27-13-12-22(19(2)35)16-26(27)33-29(20-8-10-21(11-9-20)30(36)37)23-17-24-25(18-28(23)34)32(5,6)15-14-31(24,3)4/h8-13,16-18H,7,14-15H2,1-6H3,(H,36,37)
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n/an/a 790n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of 9-cis-retinoic acid-induced RXRalpha transactivation


Bioorg Med Chem Lett 17: 4804-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.080
BindingDB Entry DOI: 10.7270/Q2ZS2W7W
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))
BDBM50218436
PNG
(4-(2-cyano-5,7,7,10,10-pentamethyl-7,8,9,10-tetrah...)
Show SMILES CN1c2ccc(cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C)C#N |t:9|
Show InChI InChI=1S/C30H29N3O2/c1-29(2)12-13-30(3,4)23-16-26-21(15-22(23)29)27(19-7-9-20(10-8-19)28(34)35)32-24-14-18(17-31)6-11-25(24)33(26)5/h6-11,14-16H,12-13H2,1-5H3,(H,34,35)
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n/an/a 820n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of LG100268-induced RXRalpha transactivation


Bioorg Med Chem Lett 17: 4804-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.080
BindingDB Entry DOI: 10.7270/Q2ZS2W7W
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
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