Compile Data Set for Download or QSAR
Found 17 of ec50 for UniProtKB: P28702
TargetRetinoic acid receptor RXR-alpha/RXR-beta/RXR-gamma(Homo sapiens (Human))
Tohoku Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50490451(CHEMBL2325917)
Show SMILES CN(c1ccc(cc1)C(O)=O)c1cc2c(cc1C)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C23H29NO2/c1-15-13-18-19(23(4,5)12-11-22(18,2)3)14-20(15)24(6)17-9-7-16(8-10-17)21(25)26/h7-10,13-14H,11-12H2,1-6H3,(H,25,26)
Affinity DataEC50:  1.30nMAssay Description:Agonist activity at RXR (unknown origin) in presence of RAR agonist Am80More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetRetinoic acid receptor RXR-alpha/RXR-beta/RXR-gamma(Homo sapiens (Human))
Tohoku Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50490452(CHEMBL2321917)
Show SMILES CCCN(c1ccc(cc1)C(O)=O)c1cc2c(cc1C)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C25H33NO2/c1-7-14-26(19-10-8-18(9-11-19)23(27)28)22-16-21-20(15-17(22)2)24(3,4)12-13-25(21,5)6/h8-11,15-16H,7,12-14H2,1-6H3,(H,27,28)
Affinity DataEC50:  1.40nMAssay Description:Agonist activity at RXR (unknown origin) in presence of RAR agonist Am80More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetRetinoic acid receptor RXR-alpha/RXR-beta/RXR-gamma(Homo sapiens (Human))
Tohoku Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50533809(CHEMBL4547228)
Show SMILES CCN(c1ccc(cc1)C(O)=O)c1cc2c(cc1C)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H31NO2/c1-7-25(18-10-8-17(9-11-18)22(26)27)21-15-20-19(14-16(21)2)23(3,4)12-13-24(20,5)6/h8-11,14-15H,7,12-13H2,1-6H3,(H,26,27)
Affinity DataEC50:  7.90nMAssay Description:Agonist activity at human RXR binding domain and activation domain expressed in human HCT116 cells assessed as rexinoid activity incubated for 24 hrs...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetRetinoic acid receptor RXR-alpha/RXR-beta/RXR-gamma(Homo sapiens (Human))
Tohoku Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50533814(CHEMBL4459731)
Show SMILES CCN(c1ccc(cn1)C(O)=O)c1cc2c(cc1C)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C23H30N2O2/c1-7-25(20-9-8-16(14-24-20)21(26)27)19-13-18-17(12-15(19)2)22(3,4)10-11-23(18,5)6/h8-9,12-14H,7,10-11H2,1-6H3,(H,26,27)
Affinity DataEC50:  14nMAssay Description:Agonist activity at human RXR binding domain and activation domain expressed in human HCT116 cells assessed as rexinoid activity incubated for 24 hrs...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetRetinoic acid receptor RXR-alpha/RXR-beta/RXR-gamma(Homo sapiens (Human))
Tohoku Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50324896(6-[N-Ethyl(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-...)
Show SMILES CCN(c1ccc2c(c1)C(C)(C)CCC2(C)C)c1ccc(cn1)C(O)=O
Show InChI InChI=1S/C22H28N2O2/c1-6-24(19-10-7-15(14-23-19)20(25)26)16-8-9-17-18(13-16)22(4,5)12-11-21(17,2)3/h7-10,13-14H,6,11-12H2,1-5H3,(H,25,26)
Affinity DataEC50:  14nMAssay Description:Agonist activity at human RXR binding domain and activation domain expressed in human HCT116 cells assessed as rexinoid activity incubated for 24 hrs...More data for this Ligand-Target Pair
TargetRetinoic acid receptor RXR-alpha/RXR-beta/RXR-gamma(Homo sapiens (Human))
Tohoku Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50533812(CHEMBL4545837)
Show SMILES CCN(c1ncc(cn1)C(O)=O)c1cc2c(cc1C)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C22H29N3O2/c1-7-25(20-23-12-15(13-24-20)19(26)27)18-11-17-16(10-14(18)2)21(3,4)8-9-22(17,5)6/h10-13H,7-9H2,1-6H3,(H,26,27)
Affinity DataEC50:  18nMAssay Description:Agonist activity at human RXR binding domain and activation domain expressed in human HCT116 cells assessed as rexinoid activity incubated for 24 hrs...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetRetinoic acid receptor RXR-alpha/RXR-beta/RXR-gamma(Homo sapiens (Human))
Tohoku Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50533813(CHEMBL4476213)
Show SMILES CCN(c1ccc(C(O)=O)c(F)c1)c1cc2c(cc1C)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H30FNO2/c1-7-26(16-8-9-17(22(27)28)20(25)13-16)21-14-19-18(12-15(21)2)23(3,4)10-11-24(19,5)6/h8-9,12-14H,7,10-11H2,1-6H3,(H,27,28)
Affinity DataEC50:  34nMAssay Description:Agonist activity at human RXR binding domain and activation domain expressed in human HCT116 cells assessed as rexinoid activity incubated for 24 hrs...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetRetinoic acid receptor RXR-alpha/RXR-beta/RXR-gamma(Homo sapiens (Human))
Tohoku Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50533804(CHEMBL4574155)
Show SMILES CCN(c1ccc2c(c1)C(C)(C)CCC2(C)C)c1ncc(cn1)C(O)=O
Show InChI InChI=1S/C21H27N3O2/c1-6-24(19-22-12-14(13-23-19)18(25)26)15-7-8-16-17(11-15)21(4,5)10-9-20(16,2)3/h7-8,11-13H,6,9-10H2,1-5H3,(H,25,26)
Affinity DataEC50:  41nMAssay Description:Agonist activity at human RXR binding domain and activation domain expressed in human HCT116 cells assessed as rexinoid activity incubated for 24 hrs...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetRetinoic acid receptor RXR-alpha/RXR-beta/RXR-gamma(Homo sapiens (Human))
Tohoku Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50032675(4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaph...)
Show SMILES Cc1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H28O2/c1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)22(25)26/h7-10,13-14H,2,11-12H2,1,3-6H3,(H,25,26)
Affinity DataEC50:  52nMAssay Description:Agonist activity at human RXR binding domain and activation domain expressed in human HCT116 cells assessed as rexinoid activity incubated for 24 hrs...More data for this Ligand-Target Pair
TargetRetinoic acid receptor RXR-alpha/RXR-beta/RXR-gamma(Homo sapiens (Human))
Tohoku Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50533810(CHEMBL4560758)
Show SMILES CCN(c1ccc(C(O)=O)c(F)c1)c1ccc2c(c1)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C23H28FNO2/c1-6-25(16-7-9-17(21(26)27)20(24)14-16)15-8-10-18-19(13-15)23(4,5)12-11-22(18,2)3/h7-10,13-14H,6,11-12H2,1-5H3,(H,26,27)
Affinity DataEC50:  126nMAssay Description:Agonist activity at human RXR binding domain and activation domain expressed in human HCT116 cells assessed as rexinoid activity incubated for 24 hrs...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetRetinoic acid receptor RXR-alpha/RXR-beta/RXR-gamma(Homo sapiens (Human))
Tohoku Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50533811(CHEMBL4475014)
Show SMILES CCN(c1ccc(cc1)C(O)=O)c1ccc2c(c1)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C23H29NO2/c1-6-24(17-9-7-16(8-10-17)21(25)26)18-11-12-19-20(15-18)23(4,5)14-13-22(19,2)3/h7-12,15H,6,13-14H2,1-5H3,(H,25,26)
Affinity DataEC50:  143nMAssay Description:Agonist activity at human RXR binding domain and activation domain expressed in human HCT116 cells assessed as rexinoid activity incubated for 24 hrs...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetRetinoic acid receptor RXR-alpha/RXR-beta/RXR-gamma(Homo sapiens (Human))
Tohoku Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50533807(CHEMBL4440825)
Show SMILES CCN(c1cnc(cn1)C(O)=O)c1cc2c(cc1C)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C22H29N3O2/c1-7-25(19-13-23-17(12-24-19)20(26)27)18-11-16-15(10-14(18)2)21(3,4)8-9-22(16,5)6/h10-13H,7-9H2,1-6H3,(H,26,27)
Affinity DataEC50:  296nMAssay Description:Agonist activity at human RXR binding domain and activation domain expressed in human HCT116 cells assessed as rexinoid activity incubated for 24 hrs...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetRetinoic acid receptor RXR-alpha/RXR-beta/RXR-gamma(Homo sapiens (Human))
Tohoku Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50533808(CHEMBL4468317)
Show SMILES CCN(c1ccc2c(c1)C(C)(C)CCC2(C)C)c1cnc(cn1)C(O)=O
Show InChI InChI=1S/C21H27N3O2/c1-6-24(18-13-22-17(12-23-18)19(25)26)14-7-8-15-16(11-14)21(4,5)10-9-20(15,2)3/h7-8,11-13H,6,9-10H2,1-5H3,(H,25,26)
Affinity DataEC50:  364nMAssay Description:Agonist activity at human RXR binding domain and activation domain expressed in human HCT116 cells assessed as rexinoid activity incubated for 24 hrs...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetRetinoic acid receptor RXR-alpha/RXR-beta/RXR-gamma(Homo sapiens (Human))
Tohoku Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50533806(CHEMBL4476114)
Show SMILES Cc1cc2c(cc1C(=C)c1ccc(cc1)S(O)(=O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C23H28O3S/c1-15-13-20-21(23(5,6)12-11-22(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)27(24,25)26/h7-10,13-14H,2,11-12H2,1,3-6H3,(H,24,25,26)
Affinity DataEC50:  1.82E+4nMAssay Description:Agonist activity at human RXR binding domain and activation domain expressed in human HCT116 cells assessed as rexinoid activity incubated for 24 hrs...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetRetinoic acid receptor RXR-alpha/RXR-beta/RXR-gamma(Homo sapiens (Human))
Tohoku Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50537147(CHEMBL4537625)
Show SMILES [Na+].CC(C)(C)Cc1cc(no1)-c1onc([C@@H](CCC([O-])=O)CC(=O)Nc2ccc(Cl)cc2Cl)c1C1CC1
Show InChI InChI=1S/C26H29Cl2N3O5.Na/c1-26(2,3)13-17-12-20(30-35-17)25-23(14-4-5-14)24(31-36-25)15(6-9-22(33)34)10-21(32)29-19-8-7-16(27)11-18(19)28;/h7-8,11-12,14-15H,4-6,9-10,13H2,1-3H3,(H,29,32)(H,33,34);/q;+1/p-1/t15-;/m0./s1
Affinity DataEC50: >2.00E+4nMAssay Description:Inhibition of GAL4-fused human RXR transcriptional activity expressed in CHOK1 cells after 2 days by luciferase reporter gene assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetRetinoic acid receptor RXR-alpha/RXR-beta/RXR-gamma(Homo sapiens (Human))
Tohoku Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM28802(2-{[(5-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-...)
Show SMILES COC(=O)N(CC(O)=O)Cc1cc(OCc2nc(oc2C)-c2ccc(Cl)cc2)ccc1F
Show InChI InChI=1S/C22H20ClFN2O6/c1-13-19(25-21(32-13)14-3-5-16(23)6-4-14)12-31-17-7-8-18(24)15(9-17)10-26(11-20(27)28)22(29)30-2/h3-9H,10-12H2,1-2H3,(H,27,28)
Affinity DataEC50: >2.50E+4nMAssay Description:Agonist activity at human RXR by transactivation assayMore data for this Ligand-Target Pair
TargetRetinoic acid receptor RXR-alpha/RXR-beta/RXR-gamma(Homo sapiens (Human))
Tohoku Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50533805(CHEMBL4441103)
Show SMILES Cc1cc2c(cc1C(=O)c1ccc(cc1)S(O)(=O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C22H26O4S/c1-14-12-18-19(22(4,5)11-10-21(18,2)3)13-17(14)20(23)15-6-8-16(9-7-15)27(24,25)26/h6-9,12-13H,10-11H2,1-5H3,(H,24,25,26)
Affinity DataEC50: >8.00E+4nMAssay Description:Agonist activity at human RXR binding domain and activation domain expressed in human HCT116 cells assessed as rexinoid activity incubated for 24 hrs...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid