Compile Data Set for Download or QSAR
Found 36 of ic50 for UniProtKB: P28702
TargetRetinoic acid receptor RXR-beta(Homo sapiens (Human))
Ligand Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM31892(9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin...)
Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O
Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+
Affinity DataIC50: 12nMAssay Description:Binding affinity against retinoic Acid X beta receptor using [3H]- -9-cis-Retinoic Acid in competitive binding assayMore data for this Ligand-Target Pair
TargetRetinoic acid receptor RXR-beta(Homo sapiens (Human))
Ligand Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM50218464((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
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)
Affinity DataIC50: 44nMAssay Description:Antagonist activity at RXRbeta (unknown origin) expressed in african green monkey COS1 cells assessed as inhibition of LGD1069-induced agonist activi...More data for this Ligand-Target Pair
TargetRetinoic acid receptor RXR-beta(Homo sapiens (Human))
Ligand Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM50044098(4-[(E)-2-(3-Isopropyl-5,5,8,8-tetramethyl-5,6,7,8-...)
Show SMILES CC(C)c1cc2c(cc1\C(C)=C\c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C27H34O2/c1-17(2)21-15-23-24(27(6,7)13-12-26(23,4)5)16-22(21)18(3)14-19-8-10-20(11-9-19)25(28)29/h8-11,14-17H,12-13H2,1-7H3,(H,28,29)/b18-14+
Affinity DataIC50: 50nMAssay Description:Binding affinity against retinoic Acid X beta receptor using [3H]- -9-cis-Retinoic Acid in competitive binding assayMore data for this Ligand-Target Pair
TargetRetinoic acid receptor RXR-beta(Homo sapiens (Human))
Ligand Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM50044099(4-[(E)-2-(3-Ethyl-5,5,8,8-tetramethyl-5,6,7,8-tetr...)
Show SMILES CCc1cc2c(cc1\C(C)=C\c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C26H32O2/c1-7-19-15-22-23(26(5,6)13-12-25(22,3)4)16-21(19)17(2)14-18-8-10-20(11-9-18)24(27)28/h8-11,14-16H,7,12-13H2,1-6H3,(H,27,28)/b17-14+
Affinity DataIC50: 50nMAssay Description:Binding affinity against retinoic Acid X beta receptor using [3H]- -9-cis-Retinoic Acid in competitive binding assayMore data for this Ligand-Target Pair
TargetRetinoic acid receptor RXR-beta(Homo sapiens (Human))
Ligand Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM524173(US11166958, Example 6)
Show SMILES CNC(=O)[C@@H]1CN(Cc2cnc(Oc3ccc(F)cc3F)cn2)CCO1
Show InChI InChI=1S/C17H18F2N4O3/c1-20-17(24)15-10-23(4-5-25-15)9-12-7-22-16(8-21-12)26-14-3-2-11(18)6-13(14)19/h2-3,6-8,15H,4-5,9-10H2,1H3,(H,20,24)/t15-/m0/s1
Affinity DataIC50: 87nMAssay Description:At the assay day cells were washed 3 with assay buffer (as described above), 10 μL buffer remained in the wells after washing. 10 μL Ca ki...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetRetinoic acid receptor RXR-beta(Homo sapiens (Human))
Ligand Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM524172(US11166958, Example 5)
Show SMILES CNC(=O)[C@@H]1CN(Cc2cnc(Oc3ccc(Cl)cc3F)cn2)CCO1
Show InChI InChI=1S/C17H18ClFN4O3/c1-20-17(24)15-10-23(4-5-25-15)9-12-7-22-16(8-21-12)26-14-3-2-11(18)6-13(14)19/h2-3,6-8,15H,4-5,9-10H2,1H3,(H,20,24)/t15-/m0/s1
Affinity DataIC50: 110nMAssay Description:At the assay day cells were washed 3 with assay buffer (as described above), 10 μL buffer remained in the wells after washing. 10 μL Ca ki...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetRetinoic acid receptor RXR-beta(Homo sapiens (Human))
Ligand Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM524169(US11166958, Example 2)
Show SMILES CNC(=O)[C@@H]1CN(Cc2cnc(Oc3ccc(C)cc3F)cn2)CCO1
Show InChI InChI=1S/C18H21FN4O3/c1-12-3-4-15(14(19)7-12)26-17-9-21-13(8-22-17)10-23-5-6-25-16(11-23)18(24)20-2/h3-4,7-9,16H,5-6,10-11H2,1-2H3,(H,20,24)/t16-/m0/s1
Affinity DataIC50: 123nMAssay Description:At the assay day cells were washed 3 with assay buffer (as described above), 10 μL buffer remained in the wells after washing. 10 μL Ca ki...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetRetinoic acid receptor RXR-beta(Homo sapiens (Human))
Ligand Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM524182(US11166958, Example 35)
Show SMILES CNC(=O)[C@@H]1CN(Cc2cnc(Oc3c(F)cccc3F)cn2)CCO1
Show InChI InChI=1S/C17H18F2N4O3/c1-20-17(24)14-10-23(5-6-25-14)9-11-7-22-15(8-21-11)26-16-12(18)3-2-4-13(16)19/h2-4,7-8,14H,5-6,9-10H2,1H3,(H,20,24)/t14-/m0/s1
Affinity DataIC50: 197nMAssay Description:At the assay day cells were washed 3 with assay buffer (as described above), 10 μL buffer remained in the wells after washing. 10 μL Ca ki...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetRetinoic acid receptor RXR-beta(Homo sapiens (Human))
Ligand Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM524176(US11166958, Example 9)
Show SMILES CNC(=O)[C@@H]1CN(Cc2cnc(Oc3ccccc3F)cn2)CCO1
Show InChI InChI=1S/C17H19FN4O3/c1-19-17(23)15-11-22(6-7-24-15)10-12-8-21-16(9-20-12)25-14-5-3-2-4-13(14)18/h2-5,8-9,15H,6-7,10-11H2,1H3,(H,19,23)/t15-/m0/s1
Affinity DataIC50: 210nMAssay Description:At the assay day cells were washed 3 with assay buffer (as described above), 10 μL buffer remained in the wells after washing. 10 μL Ca ki...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetRetinoic acid receptor RXR-beta(Homo sapiens (Human))
Ligand Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM524177(US11166958, Example 18)
Show SMILES CNC(=O)[C@@H]1CN(Cc2cnc(Oc3ccccc3Cl)cn2)CCO1
Show InChI InChI=1S/C17H19ClN4O3/c1-19-17(23)15-11-22(6-7-24-15)10-12-8-21-16(9-20-12)25-14-5-3-2-4-13(14)18/h2-5,8-9,15H,6-7,10-11H2,1H3,(H,19,23)/t15-/m0/s1
Affinity DataIC50: 222nMAssay Description:At the assay day cells were washed 3 with assay buffer (as described above), 10 μL buffer remained in the wells after washing. 10 μL Ca ki...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetRetinoic acid receptor RXR-beta(Homo sapiens (Human))
Ligand Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM524179(US11166958, Example 31)
Show SMILES CCNC(=O)[C@@H]1CN(Cc2cnc(Oc3ccc(C)cc3F)cn2)CCO1
Show InChI InChI=1S/C19H23FN4O3/c1-3-21-19(25)17-12-24(6-7-26-17)11-14-9-23-18(10-22-14)27-16-5-4-13(2)8-15(16)20/h4-5,8-10,17H,3,6-7,11-12H2,1-2H3,(H,21,25)/t17-/m0/s1
Affinity DataIC50: 524nMAssay Description:At the assay day cells were washed 3 with assay buffer (as described above), 10 μL buffer remained in the wells after washing. 10 μL Ca ki...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetRetinoic acid receptor RXR-beta(Homo sapiens (Human))
Ligand Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM524183(US11166958, Example 36)
Show SMILES CNC(=O)[C@@H]1CN(Cc2cnc(Oc3c(C)cccc3F)cn2)CCO1
Show InChI InChI=1S/C18H21FN4O3/c1-12-4-3-5-14(19)17(12)26-16-9-21-13(8-22-16)10-23-6-7-25-15(11-23)18(24)20-2/h3-5,8-9,15H,6-7,10-11H2,1-2H3,(H,20,24)/t15-/m0/s1
Affinity DataIC50: 542nMAssay Description:At the assay day cells were washed 3 with assay buffer (as described above), 10 μL buffer remained in the wells after washing. 10 μL Ca ki...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetRetinoic acid receptor RXR-beta(Homo sapiens (Human))
Ligand Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM524178(US11166958, Example 30)
Show SMILES CCNC(=O)[C@@H]1CN(Cc2cnc(Oc3ccc(F)cc3F)cn2)CCO1
Show InChI InChI=1S/C18H20F2N4O3/c1-2-21-18(25)16-11-24(5-6-26-16)10-13-8-23-17(9-22-13)27-15-4-3-12(19)7-14(15)20/h3-4,7-9,16H,2,5-6,10-11H2,1H3,(H,21,25)/t16-/m0/s1
Affinity DataIC50: 595nMAssay Description:At the assay day cells were washed 3 with assay buffer (as described above), 10 μL buffer remained in the wells after washing. 10 μL Ca ki...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetRetinoic acid receptor RXR-beta(Homo sapiens (Human))
Ligand Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM524181(US11166958, Example 34)
Show SMILES CNC(=O)[C@@H]1CN(Cc2cnc(Oc3ccccc3)cn2)CCO1
Show InChI InChI=1S/C17H20N4O3/c1-18-17(22)15-12-21(7-8-23-15)11-13-9-20-16(10-19-13)24-14-5-3-2-4-6-14/h2-6,9-10,15H,7-8,11-12H2,1H3,(H,18,22)/t15-/m0/s1
Affinity DataIC50: 644nMAssay Description:At the assay day cells were washed 3 with assay buffer (as described above), 10 μL buffer remained in the wells after washing. 10 μL Ca ki...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetRetinoic acid receptor RXR-beta(Homo sapiens (Human))
Ligand Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM524170(US11166958, Example 3)
Show SMILES CNC(=O)[C@@H]1CN(Cc2cnc(Oc3ccc(C)cc3)cn2)CCO1
Show InChI InChI=1S/C18H22N4O3/c1-13-3-5-15(6-4-13)25-17-10-20-14(9-21-17)11-22-7-8-24-16(12-22)18(23)19-2/h3-6,9-10,16H,7-8,11-12H2,1-2H3,(H,19,23)/t16-/m0/s1
Affinity DataIC50: 690nMAssay Description:At the assay day cells were washed 3 with assay buffer (as described above), 10 μL buffer remained in the wells after washing. 10 μL Ca ki...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetRetinoic acid receptor RXR-beta(Homo sapiens (Human))
Ligand Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM50256177(6-(N-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphth...)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)N(c1ccc(cn1)C(O)=O)S(=O)(=O)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C27H27F3N2O4S/c1-25(2)13-14-26(3,4)22-15-19(8-11-21(22)25)32(23-12-5-17(16-31-23)24(33)34)37(35,36)20-9-6-18(7-10-20)27(28,29)30/h5-12,15-16H,13-14H2,1-4H3,(H,33,34)
Affinity DataIC50: 750nMAssay Description:Antagonist activity at RXRbeta (unknown origin) expressed in african green monkey COS1 cells assessed as inhibition of LGD1069-induced agonist activi...More data for this Ligand-Target Pair
TargetRetinoic acid receptor RXR-beta(Homo sapiens (Human))
Ligand Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM524180(US11166958, Example 33)
Show SMILES CCNC(=O)[C@@H]1CN(Cc2cnc(Oc3ccccc3Cl)cn2)CCO1
Show InChI InChI=1S/C18H21ClN4O3/c1-2-20-18(24)16-12-23(7-8-25-16)11-13-9-22-17(10-21-13)26-15-6-4-3-5-14(15)19/h3-6,9-10,16H,2,7-8,11-12H2,1H3,(H,20,24)/t16-/m0/s1
Affinity DataIC50: 807nMAssay Description:At the assay day cells were washed 3 with assay buffer (as described above), 10 μL buffer remained in the wells after washing. 10 μL Ca ki...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetRetinoic acid receptor RXR-beta(Homo sapiens (Human))
Ligand Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM524175(US11166958, Example 8)
Show SMILES CNC(=O)[C@@H]1CN(Cc2cnc(Oc3ccc(F)cc3C)cn2)CCO1
Show InChI InChI=1S/C18H21FN4O3/c1-12-7-13(19)3-4-15(12)26-17-9-21-14(8-22-17)10-23-5-6-25-16(11-23)18(24)20-2/h3-4,7-9,16H,5-6,10-11H2,1-2H3,(H,20,24)/t16-/m0/s1
Affinity DataIC50: 856nMAssay Description:At the assay day cells were washed 3 with assay buffer (as described above), 10 μL buffer remained in the wells after washing. 10 μL Ca ki...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetRetinoic acid receptor RXR-beta(Homo sapiens (Human))
Ligand Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM50256176(6-(4-chloro-N-(5,5,8,8-tetramethyl-5,6,7,8-tetrahy...)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)N(c1ccc(cn1)C(O)=O)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H27ClN2O4S/c1-25(2)13-14-26(3,4)22-15-19(8-11-21(22)25)29(23-12-5-17(16-28-23)24(30)31)34(32,33)20-9-6-18(27)7-10-20/h5-12,15-16H,13-14H2,1-4H3,(H,30,31)
Affinity DataIC50: 870nMAssay Description:Antagonist activity at RXRbeta (unknown origin) expressed in african green monkey COS1 cells assessed as inhibition of LGD1069-induced agonist activi...More data for this Ligand-Target Pair
TargetRetinoic acid receptor RXR-beta(Homo sapiens (Human))
Ligand Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM524168(US11166958, Example 1)
Show SMILES CNC(=O)[C@@H]1CN(Cc2cnc(Oc3ccc(F)cc3)cn2)CCO1
Show InChI InChI=1S/C17H19FN4O3/c1-19-17(23)15-11-22(6-7-24-15)10-13-8-21-16(9-20-13)25-14-4-2-12(18)3-5-14/h2-5,8-9,15H,6-7,10-11H2,1H3,(H,19,23)/t15-/m0/s1
Affinity DataIC50: 968nMAssay Description:At the assay day cells were washed 3 with assay buffer (as described above), 10 μL buffer remained in the wells after washing. 10 μL Ca ki...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetRetinoic acid receptor RXR-beta(Homo sapiens (Human))
Ligand Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM50032219((E)-4-(2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydrona...)
Show SMILES C\C(=C/c1ccc(cc1)C(O)=O)c1ccc2c(c1)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H28O2/c1-16(14-17-6-8-18(9-7-17)22(25)26)19-10-11-20-21(15-19)24(4,5)13-12-23(20,2)3/h6-11,14-15H,12-13H2,1-5H3,(H,25,26)/b16-14+
Affinity DataIC50: 1.00E+3nMAssay Description:Binding affinity against retinoic Acid X beta receptor using [3H]- -9-cis-Retinoic Acid in competitive binding assayMore data for this Ligand-Target Pair
TargetRetinoic acid receptor RXR-beta(Homo sapiens (Human))
Ligand Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM50032221(4-[(E)-2-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro...)
Show SMILES C\C(=C/c1ccc(cc1)C(O)=O)c1cc2c(cc1C)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C25H30O2/c1-16(13-18-7-9-19(10-8-18)23(26)27)20-15-22-21(14-17(20)2)24(3,4)11-12-25(22,5)6/h7-10,13-15H,11-12H2,1-6H3,(H,26,27)/b16-13+
Affinity DataIC50: 1.00E+3nMAssay Description:Binding affinity against retinoic Acid X beta receptor using [3H]- -9-cis-Retinoic Acid in competitive binding assayMore data for this Ligand-Target Pair
TargetRetinoic acid receptor RXR-beta(Homo sapiens (Human))
Ligand Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM31883(9-cis-retinoic acid (9cRA) | ALL-TRANS-RETINOIC AC...)
Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O
Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+
Affinity DataIC50: 1.00E+3nMAssay Description:Binding affinity against retinoic Acid X beta receptor using [3H]- -9-cis-Retinoic Acid in competitive binding assayMore data for this Ligand-Target Pair
TargetRetinoic acid receptor RXR-beta(Homo sapiens (Human))
Ligand Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM524174(US11166958, Example 7)
Show SMILES CNC(=O)[C@@H]1CN(Cc2cnc(Oc3ccc(Cl)cc3)cn2)CCO1
Show InChI InChI=1S/C17H19ClN4O3/c1-19-17(23)15-11-22(6-7-24-15)10-13-8-21-16(9-20-13)25-14-4-2-12(18)3-5-14/h2-5,8-9,15H,6-7,10-11H2,1H3,(H,19,23)/t15-/m0/s1
Affinity DataIC50: 1.00E+3nMAssay Description:At the assay day cells were washed 3 with assay buffer (as described above), 10 μL buffer remained in the wells after washing. 10 μL Ca ki...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetRetinoic acid receptor RXR-beta(Homo sapiens (Human))
Ligand Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM524171(US11166958, Example 4)
Show SMILES CNC(=O)[C@@H]1CN(Cc2cnc(Oc3ccc(C)cc3C)cn2)CCO1
Show InChI InChI=1S/C19H24N4O3/c1-13-4-5-16(14(2)8-13)26-18-10-21-15(9-22-18)11-23-6-7-25-17(12-23)19(24)20-3/h4-5,8-10,17H,6-7,11-12H2,1-3H3,(H,20,24)/t17-/m0/s1
Affinity DataIC50: 1.20E+3nMAssay Description:At the assay day cells were washed 3 with assay buffer (as described above), 10 μL buffer remained in the wells after washing. 10 μL Ca ki...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetRetinoic acid receptor RXR-beta(Homo sapiens (Human))
Ligand Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM50256174(6-(4-methyl-N-(5,5,8,8-tetramethyl-5,6,7,8-tetrahy...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N(c1ccc2c(c1)C(C)(C)CCC2(C)C)c1ccc(cn1)C(O)=O
Show InChI InChI=1S/C27H30N2O4S/c1-18-6-10-21(11-7-18)34(32,33)29(24-13-8-19(17-28-24)25(30)31)20-9-12-22-23(16-20)27(4,5)15-14-26(22,2)3/h6-13,16-17H,14-15H2,1-5H3,(H,30,31)
Affinity DataIC50: 3.00E+3nMAssay Description:Antagonist activity at RXRbeta (unknown origin) expressed in african green monkey COS1 cells assessed as inhibition of LGD1069-induced agonist activi...More data for this Ligand-Target Pair
TargetRetinoic acid receptor RXR-beta(Homo sapiens (Human))
Ligand Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM50256175(6-(4-methoxy-N-(5,5,8,8-tetramethyl-5,6,7,8-tetrah...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(c1ccc2c(c1)C(C)(C)CCC2(C)C)c1ccc(cn1)C(O)=O
Show InChI InChI=1S/C27H30N2O5S/c1-26(2)14-15-27(3,4)23-16-19(7-12-22(23)26)29(24-13-6-18(17-28-24)25(30)31)35(32,33)21-10-8-20(34-5)9-11-21/h6-13,16-17H,14-15H2,1-5H3,(H,30,31)
Affinity DataIC50: 3.90E+3nMAssay Description:Antagonist activity at RXRbeta (unknown origin) expressed in african green monkey COS1 cells assessed as inhibition of LGD1069-induced agonist activi...More data for this Ligand-Target Pair
TargetRetinoic acid receptor RXR-beta(Homo sapiens (Human))
Ligand Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM524184(WO2015/130905, Example 100)
Show SMILES CCNC(=O)C1CN(Cc2cccc(Oc3ccccc3)c2)CCO1
Show InChI InChI=1S/C20H24N2O3/c1-2-21-20(23)19-15-22(11-12-24-19)14-16-7-6-10-18(13-16)25-17-8-4-3-5-9-17/h3-10,13,19H,2,11-12,14-15H2,1H3,(H,21,23)
Affinity DataIC50: 8.89E+3nMAssay Description:At the assay day cells were washed 3 with assay buffer (as described above), 10 μL buffer remained in the wells after washing. 10 μL Ca ki...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetRetinoic acid receptor RXR-beta(Homo sapiens (Human))
Ligand Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM524186(WO2015/130905, Example 106)
Show SMILES O=C(C1CN(Cc2cccc(Oc3ccccc3)c2)CCO1)N1CCOCC1
Show InChI InChI=1S/C22H26N2O4/c25-22(24-10-12-26-13-11-24)21-17-23(9-14-27-21)16-18-5-4-8-20(15-18)28-19-6-2-1-3-7-19/h1-8,15,21H,9-14,16-17H2
Affinity DataIC50: 9.26E+3nMAssay Description:At the assay day cells were washed 3 with assay buffer (as described above), 10 μL buffer remained in the wells after washing. 10 μL Ca ki...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetRetinoic acid receptor RXR-beta(Homo sapiens (Human))
Ligand Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM524187(WO2015/130905, Example 107)
Show SMILES COCCNC(=O)C1CN(Cc2cccc(Oc3ccccc3)c2)CCO1
Show InChI InChI=1S/C21H26N2O4/c1-25-12-10-22-21(24)20-16-23(11-13-26-20)15-17-6-5-9-19(14-17)27-18-7-3-2-4-8-18/h2-9,14,20H,10-13,15-16H2,1H3,(H,22,24)
Affinity DataIC50: 9.26E+3nMAssay Description:At the assay day cells were washed 3 with assay buffer (as described above), 10 μL buffer remained in the wells after washing. 10 μL Ca ki...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetRetinoic acid receptor RXR-beta(Homo sapiens (Human))
Ligand Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM524185(WO2015/130905, Example 105)
Show SMILES O=C(NCc1ccccn1)C1CN(Cc2cccc(Oc3ccccc3)c2)CCO1
Show InChI InChI=1S/C24H25N3O3/c28-24(26-16-20-8-4-5-12-25-20)23-18-27(13-14-29-23)17-19-7-6-11-22(15-19)30-21-9-2-1-3-10-21/h1-12,15,23H,13-14,16-18H2,(H,26,28)
Affinity DataIC50: 9.26E+3nMAssay Description:At the assay day cells were washed 3 with assay buffer (as described above), 10 μL buffer remained in the wells after washing. 10 μL Ca ki...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetRetinoic acid receptor RXR-beta(Homo sapiens (Human))
Ligand Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM50454190(CHEMBL4202767)
Show SMILES CCOc1c(Cl)cc(cc1OC(C)C)C(=O)Nc1ccc(C(O)=O)c(C)c1
Show InChI InChI=1S/C20H22ClNO5/c1-5-26-18-16(21)9-13(10-17(18)27-11(2)3)19(23)22-14-6-7-15(20(24)25)12(4)8-14/h6-11H,5H2,1-4H3,(H,22,23)(H,24,25)
Affinity DataIC50: 1.00E+4nMAssay Description:Displacement of [3H]-9-cis-retinoic acid from recombinant human full length RXRbeta after 24 hrs by scintillation counting analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetRetinoic acid receptor RXR-beta(Homo sapiens (Human))
Ligand Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM50256275(6-(4-nitro-N-(5,5,8,8-tetramethyl-5,6,7,8-tetrahyd...)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)N(c1ccc(cn1)C(O)=O)S(=O)(=O)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C26H27N3O6S/c1-25(2)13-14-26(3,4)22-15-19(8-11-21(22)25)28(23-12-5-17(16-27-23)24(30)31)36(34,35)20-9-6-18(7-10-20)29(32)33/h5-12,15-16H,13-14H2,1-4H3,(H,30,31)
Affinity DataIC50: 1.00E+4nMAssay Description:Antagonist activity at RXRbeta (unknown origin) expressed in african green monkey COS1 cells assessed as inhibition of LGD1069-induced agonist activi...More data for this Ligand-Target Pair
TargetRetinoic acid receptor RXR-beta(Homo sapiens (Human))
Ligand Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM50256123(6-(N-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphth...)
Show SMILES CCCCS(=O)(=O)N(c1ccc2c(c1)C(C)(C)CCC2(C)C)c1ccc(cn1)C(O)=O
Show InChI InChI=1S/C24H32N2O4S/c1-6-7-14-31(29,30)26(21-11-8-17(16-25-21)22(27)28)18-9-10-19-20(15-18)24(4,5)13-12-23(19,2)3/h8-11,15-16H,6-7,12-14H2,1-5H3,(H,27,28)
Affinity DataIC50: 1.00E+4nMAssay Description:Antagonist activity at RXRbeta (unknown origin) expressed in african green monkey COS1 cells assessed as inhibition of LGD1069-induced agonist activi...More data for this Ligand-Target Pair
TargetRetinoic acid receptor RXR-beta(Homo sapiens (Human))
Ligand Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM50256124(6-(N-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphth...)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)N(c1ccc(cn1)C(O)=O)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C26H28N2O4S/c1-25(2)14-15-26(3,4)22-16-19(11-12-21(22)25)28(23-13-10-18(17-27-23)24(29)30)33(31,32)20-8-6-5-7-9-20/h5-13,16-17H,14-15H2,1-4H3,(H,29,30)
Affinity DataIC50: 1.00E+4nMAssay Description:Antagonist activity at RXRbeta (unknown origin) expressed in african green monkey COS1 cells assessed as inhibition of LGD1069-induced agonist activi...More data for this Ligand-Target Pair
TargetRetinoic acid receptor RXR-beta(Homo sapiens (Human))
Ligand Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM50276797(CHEMBL4174856)
Show SMILES CN1CC[C@H]([C@H](F)C1)N1C(=O)S\C(=C/c2ccc3n(Cc4ccc(Cl)cc4C(F)(F)F)ncc3c2)C1=O
Show InChI InChI=1S/C25H21ClF4N4O2S/c1-32-7-6-21(19(27)13-32)34-23(35)22(37-24(34)36)9-14-2-5-20-16(8-14)11-31-33(20)12-15-3-4-17(26)10-18(15)25(28,29)30/h2-5,8-11,19,21H,6-7,12-13H2,1H3/b22-9-/t19-,21-/m1/s1
Affinity DataIC50: 1.00E+4nMAssay Description:Antagonist activity at recombinant GST-tagged human RXRbeta LBD assessed as inhibition of all-trans-retinoic acid-induced fluorescein-labeled coactiv...More data for this Ligand-Target Pair