Compile Data Set for Download or QSAR
Found 11 Enz. Inhib. hit(s) with all data for entry = 50047290
TargetRetinoic acid receptor RXR-alpha(Homo sapiens (Human))
University of Gothenburg

Curated by ChEMBL
LigandPNGBDBM50158080(CHEMBL3779935)
Show SMILES CC1(C)CCC(C)(C)c2cc3c(OC4CCCC34c3ccc(cc3)C(O)=O)cc12
Show InChI InChI=1S/C26H30O3/c1-24(2)12-13-25(3,4)19-15-21-20(14-18(19)24)26(11-5-6-22(26)29-21)17-9-7-16(8-10-17)23(27)28/h7-10,14-15,22H,5-6,11-13H2,1-4H3,(H,27,28)
Affinity DataEC50:  25nMAssay Description:Agonist activity at histidine-tagged ligand binding domain of human RXRalpha expressed in Escherichia coli BL21 (DE3) by luciferase reporter gene ass...More data for this Ligand-Target Pair
TargetRetinoic acid receptor RXR-alpha(Homo sapiens (Human))
University of Gothenburg

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:  32nMAssay Description:Agonist activity at Renilla luciferase/GFP2-tagged RXRalpha homodimer (unknown origin) expressed in HEK293T cells by BRET2 assayMore data for this Ligand-Target Pair
TargetRetinoic acid receptor RXR-alpha(Homo sapiens (Human))
University of Gothenburg

Curated by ChEMBL
LigandPNGBDBM50157943(CHEMBL3780763)
Show SMILES CC1(C)CCC(C)(C)c2cc3c(O[C@@H]4CCCC[C@]34c3ccc(cc3)C(O)=O)cc12
Show InChI InChI=1S/C27H32O3/c1-25(2)13-14-26(3,4)20-16-22-21(15-19(20)25)27(12-6-5-7-23(27)30-22)18-10-8-17(9-11-18)24(28)29/h8-11,15-16,23H,5-7,12-14H2,1-4H3,(H,28,29)/t23-,27+/m1/s1
Affinity DataEC50:  16nMAssay Description:Agonist activity at Renilla luciferase/GFP2-tagged RXRalpha homodimer (unknown origin) expressed in HEK293T cells by BRET2 assayMore data for this Ligand-Target Pair
TargetRetinoic acid receptor RXR-alpha(Homo sapiens (Human))
University of Gothenburg

Curated by ChEMBL
LigandPNGBDBM50157944(CHEMBL3780806)
Show SMILES CC1(C)CCC(C)(C)c2cc3c(O[C@H]4CCC[C@@]34c3ccc(cc3)C(O)=O)cc12
Show InChI InChI=1S/C26H30O3/c1-24(2)12-13-25(3,4)19-15-21-20(14-18(19)24)26(11-5-6-22(26)29-21)17-9-7-16(8-10-17)23(27)28/h7-10,14-15,22H,5-6,11-13H2,1-4H3,(H,27,28)/t22-,26+/m0/s1
Affinity DataEC50:  1.00E+3nMAssay Description:Agonist activity at Renilla luciferase/GFP2-tagged RXRalpha homodimer (unknown origin) expressed in HEK293T cells by BRET2 assayMore data for this Ligand-Target Pair
TargetRetinoic acid receptor RXR-alpha(Homo sapiens (Human))
University of Gothenburg

Curated by ChEMBL
LigandPNGBDBM50157942(CHEMBL3781132)
Show SMILES CC1(C)CCC(C)(C)c2cc3c(O[C@@H]4CCC[C@]34c3ccc(cc3)C(O)=O)cc12
Show InChI InChI=1S/C26H30O3/c1-24(2)12-13-25(3,4)19-15-21-20(14-18(19)24)26(11-5-6-22(26)29-21)17-9-7-16(8-10-17)23(27)28/h7-10,14-15,22H,5-6,11-13H2,1-4H3,(H,27,28)/t22-,26+/m1/s1
Affinity DataEC50:  25nMAssay Description:Agonist activity at Renilla luciferase/GFP2-tagged RXRalpha homodimer (unknown origin) expressed in HEK293T cells by BRET2 assayMore data for this Ligand-Target Pair
TargetRetinoic acid receptor RXR-alpha(Homo sapiens (Human))
University of Gothenburg

Curated by ChEMBL
LigandPNGBDBM50157943(CHEMBL3780763)
Show SMILES CC1(C)CCC(C)(C)c2cc3c(O[C@@H]4CCCC[C@]34c3ccc(cc3)C(O)=O)cc12
Show InChI InChI=1S/C27H32O3/c1-25(2)13-14-26(3,4)20-16-22-21(15-19(20)25)27(12-6-5-7-23(27)30-22)18-10-8-17(9-11-18)24(28)29/h8-11,15-16,23H,5-7,12-14H2,1-4H3,(H,28,29)/t23-,27+/m1/s1
Affinity DataEC50:  20nMAssay Description:Agonist activity at histidine-tagged ligand binding domain of human RXRalpha expressed in Escherichia coli BL21 (DE3) by luciferase reporter gene ass...More data for this Ligand-Target Pair
TargetRetinoic acid receptor RXR-alpha(Homo sapiens (Human))
University of Gothenburg

Curated by ChEMBL
LigandPNGBDBM50158082(CHEMBL3781998)
Show SMILES CC1(C)CCC(C)(C)c2cc3c(OC4CCCCC34c3ccc(C(O)=O)c(F)c3)cc12
Show InChI InChI=1S/C27H31FO3/c1-25(2)11-12-26(3,4)19-15-22-20(14-18(19)25)27(10-6-5-7-23(27)31-22)16-8-9-17(24(29)30)21(28)13-16/h8-9,13-15,23H,5-7,10-12H2,1-4H3,(H,29,30)
Affinity DataEC50:  50nMAssay Description:Agonist activity at histidine-tagged ligand binding domain of human RXRalpha expressed in Escherichia coli BL21 (DE3) by luciferase reporter gene ass...More data for this Ligand-Target Pair
TargetRetinoic acid receptor RXR-alpha(Homo sapiens (Human))
University of Gothenburg

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:  32nMAssay Description:Agonist activity at histidine-tagged ligand binding domain of human RXRalpha expressed in Escherichia coli BL21 (DE3) by luciferase reporter gene ass...More data for this Ligand-Target Pair
TargetRetinoic acid receptor RXR-alpha(Homo sapiens (Human))
University of Gothenburg

Curated by ChEMBL
LigandPNGBDBM50157942(CHEMBL3781132)
Show SMILES CC1(C)CCC(C)(C)c2cc3c(O[C@@H]4CCC[C@]34c3ccc(cc3)C(O)=O)cc12
Show InChI InChI=1S/C26H30O3/c1-24(2)12-13-25(3,4)19-15-21-20(14-18(19)24)26(11-5-6-22(26)29-21)17-9-7-16(8-10-17)23(27)28/h7-10,14-15,22H,5-6,11-13H2,1-4H3,(H,27,28)/t22-,26+/m1/s1
Affinity DataEC50:  6.30nMAssay Description:Agonist activity at histidine-tagged ligand binding domain of human RXRalpha expressed in Escherichia coli BL21 (DE3) by luciferase reporter gene ass...More data for this Ligand-Target Pair
TargetRetinoic acid receptor RXR-alpha(Homo sapiens (Human))
University of Gothenburg

Curated by ChEMBL
LigandPNGBDBM50158079(CHEMBL3781771)
Show SMILES CC1(C)CCC(C)(C)c2cc3c(O[C@H]4CCCCC[C@@]34c3ccc(cc3)C(O)=O)cc12
Show InChI InChI=1S/C28H34O3/c1-26(2)14-15-27(3,4)21-17-23-22(16-20(21)26)28(13-7-5-6-8-24(28)31-23)19-11-9-18(10-12-19)25(29)30/h9-12,16-17,24H,5-8,13-15H2,1-4H3,(H,29,30)/t24-,28+/m0/s1
Affinity DataEC50:  126nMAssay Description:Agonist activity at histidine-tagged ligand binding domain of human RXRalpha expressed in Escherichia coli BL21 (DE3) by luciferase reporter gene ass...More data for this Ligand-Target Pair
TargetRetinoic acid receptor RXR-alpha(Homo sapiens (Human))
University of Gothenburg

Curated by ChEMBL
LigandPNGBDBM50158083(CHEMBL3780004)
Show SMILES CC1(C)CCC(C)(C)c2cc3c(OC4CCCCC34c3ccc(cc3)C(O)=O)cc12
Show InChI InChI=1S/C27H32O3/c1-25(2)13-14-26(3,4)20-16-22-21(15-19(20)25)27(12-6-5-7-23(27)30-22)18-10-8-17(9-11-18)24(28)29/h8-11,15-16,23H,5-7,12-14H2,1-4H3,(H,28,29)
Affinity DataEC50:  50nMAssay Description:Agonist activity at histidine-tagged ligand binding domain of human RXRalpha expressed in Escherichia coli BL21 (DE3) by luciferase reporter gene ass...More data for this Ligand-Target Pair