Compile Data Set for Download or QSAR
Found 64 Enz. Inhib. hit(s) with all data for entry = 50005118
TargetRetinoic acid receptor RXR-alpha(Homo sapiens (Human))
SRI International

Curated by ChEMBL
LigandPNGBDBM50033075(4-[2-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-napht...)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C1(SCCCS1)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C25H30O2S2/c1-23(2)12-13-24(3,4)21-16-19(10-11-20(21)23)25(28-14-5-15-29-25)18-8-6-17(7-9-18)22(26)27/h6-11,16H,5,12-15H2,1-4H3,(H,26,27)
Affinity DataEC50:  630nMAssay Description:Effective concentration against Retinoic acid receptor RXR-alphaMore data for this Ligand-Target Pair
TargetRetinoic acid receptor RXR-alpha(Homo sapiens (Human))
SRI International

Curated by ChEMBL
LigandPNGBDBM50033078(4-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-naphthal...)
Show SMILES CC1(C)CCC(C)(C)c2cc(Cc3ccc(cc3)C(O)=O)ccc12
Show InChI InChI=1S/C22H26O2/c1-21(2)11-12-22(3,4)19-14-16(7-10-18(19)21)13-15-5-8-17(9-6-15)20(23)24/h5-10,14H,11-13H2,1-4H3,(H,23,24)
Affinity DataEC50:  2.50E+3nMAssay Description:Effective concentration against Retinoic acid receptor RXR-alphaMore data for this Ligand-Target Pair
TargetRetinoic acid receptor RXR-alpha(Homo sapiens (Human))
SRI International

Curated by ChEMBL
LigandPNGBDBM50033063(4-[(Z)-1-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-n...)
Show SMILES C\C=C(\c1ccc(cc1)C(O)=O)c1ccc2c(c1)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H28O2/c1-6-19(16-7-9-17(10-8-16)22(25)26)18-11-12-20-21(15-18)24(4,5)14-13-23(20,2)3/h6-12,15H,13-14H2,1-5H3,(H,25,26)/b19-6-
Affinity DataEC50:  55nMAssay Description:Effective concentration against Retinoic acid receptor RXR-alphaMore data for this Ligand-Target Pair
TargetRetinoic acid receptor RXR-alpha(Homo sapiens (Human))
SRI International

Curated by ChEMBL
LigandPNGBDBM50033066(4-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-naphthal...)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C(=O)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C22H24O3/c1-21(2)11-12-22(3,4)18-13-16(9-10-17(18)21)19(23)14-5-7-15(8-6-14)20(24)25/h5-10,13H,11-12H2,1-4H3,(H,24,25)
Affinity DataEC50:  3.00E+3nMAssay Description:Effective concentration against Retinoic acid receptor RXR-alphaMore data for this Ligand-Target Pair
TargetRetinoic acid receptor RXR-alpha(Homo sapiens (Human))
SRI International

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 DataEC50:  530nMAssay Description:Effective concentration against Retinoic acid receptor RXR-alphaMore data for this Ligand-Target Pair
TargetRetinoic acid receptor RXR-alpha(Homo sapiens (Human))
SRI International

Curated by ChEMBL
LigandPNGBDBM50033062(4-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-naphthal...)
Show SMILES CC1(C)CCC(C)(C)c2cc(Oc3ccc(cc3)C(O)=O)ccc12
Show InChI InChI=1S/C21H24O3/c1-20(2)11-12-21(3,4)18-13-16(9-10-17(18)20)24-15-7-5-14(6-8-15)19(22)23/h5-10,13H,11-12H2,1-4H3,(H,22,23)
Affinity DataEC50:  2.50E+3nMAssay Description:Effective concentration against Retinoic acid receptor RXR-alphaMore data for this Ligand-Target Pair
TargetRetinoic acid receptor RXR-beta(Homo sapiens (Human))
SRI International

Curated by ChEMBL
LigandPNGBDBM50033063(4-[(Z)-1-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-n...)
Show SMILES C\C=C(\c1ccc(cc1)C(O)=O)c1ccc2c(c1)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H28O2/c1-6-19(16-7-9-17(10-8-16)22(25)26)18-11-12-20-21(15-18)24(4,5)14-13-23(20,2)3/h6-12,15H,13-14H2,1-5H3,(H,25,26)/b19-6-
Affinity DataEC50:  160nMAssay Description:Effective concentrations against Retinoic acid receptor RXR-betaMore data for this Ligand-Target Pair
TargetRetinoic acid receptor RXR-beta(Homo sapiens (Human))
SRI International

Curated by ChEMBL
LigandPNGBDBM50032667(4-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES Cc1cc2c(cc1C(=O)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C23H26O3/c1-14-12-18-19(23(4,5)11-10-22(18,2)3)13-17(14)20(24)15-6-8-16(9-7-15)21(25)26/h6-9,12-13H,10-11H2,1-5H3,(H,25,26)
Affinity DataEC50:  360nMAssay Description:Effective concentrations against Retinoic acid receptor RXR-betaMore data for this Ligand-Target Pair
TargetRetinoic acid receptor RXR-gamma(Homo sapiens (Human))
SRI International

Curated by ChEMBL
LigandPNGBDBM50032667(4-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES Cc1cc2c(cc1C(=O)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C23H26O3/c1-14-12-18-19(23(4,5)11-10-22(18,2)3)13-17(14)20(24)15-6-8-16(9-7-15)21(25)26/h6-9,12-13H,10-11H2,1-5H3,(H,25,26)
Affinity DataEC50:  1.20E+3nMAssay Description:Effective concentrations against Retinoic acid receptor RXR-gammaMore data for this Ligand-Target Pair
TargetRetinoic acid receptor RXR-alpha(Homo sapiens (Human))
SRI International

Curated by ChEMBL
LigandPNGBDBM50033064(4-[(E)-1-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-n...)
Show SMILES C\C=C(/c1ccc(cc1)C(O)=O)c1ccc2c(c1)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H28O2/c1-6-19(16-7-9-17(10-8-16)22(25)26)18-11-12-20-21(15-18)24(4,5)14-13-23(20,2)3/h6-12,15H,13-14H2,1-5H3,(H,25,26)/b19-6+
Affinity DataEC50:  2.50E+3nMAssay Description:Effective concentration against Retinoic acid receptor RXR-alphaMore data for this Ligand-Target Pair
TargetRetinoic acid receptor RXR-beta(Homo sapiens (Human))
SRI International

Curated by ChEMBL
LigandPNGBDBM50033065((2E,4E)-3,7-Dimethyl-6-(5,5,8,8-tetramethyl-5,6,7,...)
Show SMILES CC(C)=C(\C=C\C(\C)=C\C(O)=O)c1ccc2c(c1)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H32O2/c1-16(2)19(10-8-17(3)14-22(25)26)18-9-11-20-21(15-18)24(6,7)13-12-23(20,4)5/h8-11,14-15H,12-13H2,1-7H3,(H,25,26)/b10-8+,17-14+
Affinity DataEC50:  33nMAssay Description:Effective concentrations against Retinoic acid receptor RXR-betaMore data for this Ligand-Target Pair
TargetRetinoic acid receptor RXR-alpha(Homo sapiens (Human))
SRI International

Curated by ChEMBL
LigandPNGBDBM50033065((2E,4E)-3,7-Dimethyl-6-(5,5,8,8-tetramethyl-5,6,7,...)
Show SMILES CC(C)=C(\C=C\C(\C)=C\C(O)=O)c1ccc2c(c1)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H32O2/c1-16(2)19(10-8-17(3)14-22(25)26)18-9-11-20-21(15-18)24(6,7)13-12-23(20,4)5/h8-11,14-15H,12-13H2,1-7H3,(H,25,26)/b10-8+,17-14+
Affinity DataEC50:  380nMAssay Description:Effective concentration against Retinoic acid receptor RXR-alphaMore data for this Ligand-Target Pair
TargetRetinoic acid receptor RXR-beta(Homo sapiens (Human))
SRI International

Curated by ChEMBL
LigandPNGBDBM50033066(4-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-naphthal...)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C(=O)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C22H24O3/c1-21(2)11-12-22(3,4)18-13-16(9-10-17(18)21)19(23)14-5-7-15(8-6-14)20(24)25/h5-10,13H,11-12H2,1-4H3,(H,24,25)
Affinity DataEC50:  3.20E+3nMAssay Description:Effective concentrations against Retinoic acid receptor RXR-betaMore data for this Ligand-Target Pair
TargetRetinoic acid receptor RXR-gamma(Homo sapiens (Human))
SRI International

Curated by ChEMBL
LigandPNGBDBM50033063(4-[(Z)-1-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-n...)
Show SMILES C\C=C(\c1ccc(cc1)C(O)=O)c1ccc2c(c1)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H28O2/c1-6-19(16-7-9-17(10-8-16)22(25)26)18-11-12-20-21(15-18)24(4,5)14-13-23(20,2)3/h6-12,15H,13-14H2,1-5H3,(H,25,26)/b19-6-
Affinity DataEC50:  370nMAssay Description:Effective concentrations against Retinoic acid receptor RXR-gammaMore data for this Ligand-Target Pair
TargetRetinoic acid receptor RXR-alpha(Homo sapiens (Human))
SRI International

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:  42nMAssay Description:Effective concentration against Retinoic acid receptor RXR-alphaMore data for this Ligand-Target Pair
TargetRetinoic acid receptor RXR-alpha(Homo sapiens (Human))
SRI International

Curated by ChEMBL
LigandPNGBDBM50032667(4-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES Cc1cc2c(cc1C(=O)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C23H26O3/c1-14-12-18-19(23(4,5)11-10-22(18,2)3)13-17(14)20(24)15-6-8-16(9-7-15)21(25)26/h6-9,12-13H,10-11H2,1-5H3,(H,25,26)
Affinity DataEC50:  210nMAssay Description:Effective concentration against Retinoic acid receptor RXR-alphaMore data for this Ligand-Target Pair
TargetRetinoic acid receptor RXR-beta(Homo sapiens (Human))
SRI International

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 DataEC50:  2.60nMAssay Description:Effective concentrations against Retinoic acid receptor RXR-betaMore data for this Ligand-Target Pair
TargetRetinoic acid receptor RXR-alpha(Homo sapiens (Human))
SRI International

Curated by ChEMBL
LigandPNGBDBM50033067(4-[2-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-napht...)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C1(SCCS1)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C24H28O2S2/c1-22(2)11-12-23(3,4)20-15-18(9-10-19(20)22)24(27-13-14-28-24)17-7-5-16(6-8-17)21(25)26/h5-10,15H,11-14H2,1-4H3,(H,25,26)
Affinity DataEC50:  170nMAssay Description:Effective concentration against Retinoic acid receptor RXR-alphaMore data for this Ligand-Target Pair
TargetRetinoic acid receptor RXR-gamma(Homo sapiens (Human))
SRI International

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 DataEC50:  2nMAssay Description:Effective concentrations against Retinoic acid receptor RXR-gammaMore data for this Ligand-Target Pair
TargetRetinoic acid receptor RXR-beta(Homo sapiens (Human))
SRI International

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:  112nMAssay Description:Effective concentrations against Retinoic acid receptor RXR-betaMore data for this Ligand-Target Pair
TargetRetinoic acid receptor RXR-gamma(Homo sapiens (Human))
SRI International

Curated by ChEMBL
LigandPNGBDBM50033068((2E,4E)-3-Methyl-5-[2-(3,5,5,8,8-pentamethyl-5,6,7...)
Show SMILES C\C(\C=C\C1(OCCO1)c1cc2c(cc1C)C(C)(C)CCC2(C)C)=C/C(O)=O
Show InChI InChI=1S/C24H32O4/c1-16(13-21(25)26)7-8-24(27-11-12-28-24)18-15-20-19(14-17(18)2)22(3,4)9-10-23(20,5)6/h7-8,13-15H,9-12H2,1-6H3,(H,25,26)/b8-7+,16-13+
Affinity DataEC50:  2.30E+3nMAssay Description:Effective concentrations against Retinoic acid receptor RXR-gammaMore data for this Ligand-Target Pair
TargetRetinoic acid receptor RXR-beta(Homo sapiens (Human))
SRI International

Curated by ChEMBL
LigandPNGBDBM50033069((2E,4E)-3,7-Dimethyl-6-(3,5,5,8,8-pentamethyl-5,6,...)
Show SMILES CC(C)=C(\C=C\C(\C)=C\C(O)=O)c1cc2c(cc1C)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C25H34O2/c1-16(2)19(10-9-17(3)13-23(26)27)20-15-22-21(14-18(20)4)24(5,6)11-12-25(22,7)8/h9-10,13-15H,11-12H2,1-8H3,(H,26,27)/b10-9+,17-13+
Affinity DataEC50:  140nMAssay Description:Effective concentrations against Retinoic acid receptor RXR-betaMore data for this Ligand-Target Pair
TargetRetinoic acid receptor RXR-beta(Homo sapiens (Human))
SRI International

Curated by ChEMBL
LigandPNGBDBM50033064(4-[(E)-1-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-n...)
Show SMILES C\C=C(/c1ccc(cc1)C(O)=O)c1ccc2c(c1)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H28O2/c1-6-19(16-7-9-17(10-8-16)22(25)26)18-11-12-20-21(15-18)24(4,5)14-13-23(20,2)3/h6-12,15H,13-14H2,1-5H3,(H,25,26)/b19-6+
Affinity DataEC50:  1.60E+3nMAssay Description:Effective concentrations against Retinoic acid receptor RXR-betaMore data for this Ligand-Target Pair
TargetRetinoic acid receptor RXR-beta(Homo sapiens (Human))
SRI International

Curated by ChEMBL
LigandPNGBDBM50033071(4-[2-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-napht...)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C1(OCCS1)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C24H28O3S/c1-22(2)11-12-23(3,4)20-15-18(9-10-19(20)22)24(27-13-14-28-24)17-7-5-16(6-8-17)21(25)26/h5-10,15H,11-14H2,1-4H3,(H,25,26)
Affinity DataEC50:  180nMAssay Description:Effective concentrations against Retinoic acid receptor RXR-betaMore data for this Ligand-Target Pair
TargetRetinoic acid receptor RXR-alpha(Homo sapiens (Human))
SRI International

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 DataEC50:  530nMAssay Description:Effective concentration against Retinoic acid receptor RXR-alphaMore data for this Ligand-Target Pair
TargetRetinoic acid receptor RXR-gamma(Homo sapiens (Human))
SRI International

Curated by ChEMBL
LigandPNGBDBM50033066(4-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-naphthal...)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C(=O)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C22H24O3/c1-21(2)11-12-22(3,4)18-13-16(9-10-17(18)21)19(23)14-5-7-15(8-6-14)20(24)25/h5-10,13H,11-12H2,1-4H3,(H,24,25)
Affinity DataEC50:  1.70E+3nMAssay Description:Effective concentrations against Retinoic acid receptor RXR-gammaMore data for this Ligand-Target Pair
TargetRetinoic acid receptor RXR-alpha(Homo sapiens (Human))
SRI International

Curated by ChEMBL
LigandPNGBDBM50033072(4-[Hydroxy-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro...)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C(O)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C22H26O3/c1-21(2)11-12-22(3,4)18-13-16(9-10-17(18)21)19(23)14-5-7-15(8-6-14)20(24)25/h5-10,13,19,23H,11-12H2,1-4H3,(H,24,25)
Affinity DataEC50:  2.90E+3nMAssay Description:Effective concentration against Retinoic acid receptor RXR-alphaMore data for this Ligand-Target Pair
TargetRetinoic acid receptor RXR-beta(Homo sapiens (Human))
SRI International

Curated by ChEMBL
LigandPNGBDBM50033068((2E,4E)-3-Methyl-5-[2-(3,5,5,8,8-pentamethyl-5,6,7...)
Show SMILES C\C(\C=C\C1(OCCO1)c1cc2c(cc1C)C(C)(C)CCC2(C)C)=C/C(O)=O
Show InChI InChI=1S/C24H32O4/c1-16(13-21(25)26)7-8-24(27-11-12-28-24)18-15-20-19(14-17(18)2)22(3,4)9-10-23(20,5)6/h7-8,13-15H,9-12H2,1-6H3,(H,25,26)/b8-7+,16-13+
Affinity DataEC50:  47nMAssay Description:Effective concentrations against Retinoid X receptor RXR betaMore data for this Ligand-Target Pair
TargetRetinoic acid receptor RXR-beta(Homo sapiens (Human))
SRI International

Curated by ChEMBL
LigandPNGBDBM50033074(5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES Cc1cc2c(cc1C(=O)c1ccc(s1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C21H24O3S/c1-12-10-14-15(21(4,5)9-8-20(14,2)3)11-13(12)18(22)16-6-7-17(25-16)19(23)24/h6-7,10-11H,8-9H2,1-5H3,(H,23,24)
Affinity DataEC50:  1.00E+3nMAssay Description:Effective concentrations against Retinoic acid receptor RXR-betaMore data for this Ligand-Target Pair
TargetRetinoic acid receptor RXR-alpha(Homo sapiens (Human))
SRI International

Curated by ChEMBL
LigandPNGBDBM50033068((2E,4E)-3-Methyl-5-[2-(3,5,5,8,8-pentamethyl-5,6,7...)
Show SMILES C\C(\C=C\C1(OCCO1)c1cc2c(cc1C)C(C)(C)CCC2(C)C)=C/C(O)=O
Show InChI InChI=1S/C24H32O4/c1-16(13-21(25)26)7-8-24(27-11-12-28-24)18-15-20-19(14-17(18)2)22(3,4)9-10-23(20,5)6/h7-8,13-15H,9-12H2,1-6H3,(H,25,26)/b8-7+,16-13+
Affinity DataEC50:  21nMAssay Description:Effective concentration against Retinoic acid receptor RXR-alphaMore data for this Ligand-Target Pair
TargetRetinoic acid receptor RXR-alpha(Homo sapiens (Human))
SRI International

Curated by ChEMBL
LigandPNGBDBM50033063(4-[(Z)-1-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-n...)
Show SMILES C\C=C(\c1ccc(cc1)C(O)=O)c1ccc2c(c1)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H28O2/c1-6-19(16-7-9-17(10-8-16)22(25)26)18-11-12-20-21(15-18)24(4,5)14-13-23(20,2)3/h6-12,15H,13-14H2,1-5H3,(H,25,26)/b19-6-
Affinity DataEC50:  470nMAssay Description:Effective concentration against Retinoic acid receptor RXR-alphaMore data for this Ligand-Target Pair
TargetRetinoic acid receptor RXR-alpha(Homo sapiens (Human))
SRI International

Curated by ChEMBL
LigandPNGBDBM50033073(4-[1-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-napht...)
Show SMILES CC(c1ccc(cc1)C(O)=O)c1ccc2c(c1)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C23H28O2/c1-15(16-6-8-17(9-7-16)21(24)25)18-10-11-19-20(14-18)23(4,5)13-12-22(19,2)3/h6-11,14-15H,12-13H2,1-5H3,(H,24,25)
Affinity DataEC50:  300nMAssay Description:Effective concentration against Retinoic acid receptor RXR-alphaMore data for this Ligand-Target Pair
TargetRetinoic acid receptor RXR-alpha(Homo sapiens (Human))
SRI International

Curated by ChEMBL
LigandPNGBDBM50033071(4-[2-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-napht...)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C1(OCCS1)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C24H28O3S/c1-22(2)11-12-23(3,4)20-15-18(9-10-19(20)22)24(27-13-14-28-24)17-7-5-16(6-8-17)21(25)26/h5-10,15H,11-14H2,1-4H3,(H,25,26)
Affinity DataEC50:  74nMAssay Description:Effective concentration against Retinoic acid receptor RXR-alphaMore data for this Ligand-Target Pair
TargetRetinoic acid receptor RXR-alpha(Homo sapiens (Human))
SRI International

Curated by ChEMBL
LigandPNGBDBM50033075(4-[2-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-napht...)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C1(SCCCS1)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C25H30O2S2/c1-23(2)12-13-24(3,4)21-16-19(10-11-20(21)23)25(28-14-5-15-29-25)18-8-6-17(7-9-18)22(26)27/h6-11,16H,5,12-15H2,1-4H3,(H,26,27)
Affinity DataEC50:  540nMAssay Description:Effective concentration against Retinoic acid receptor RXR-alphaMore data for this Ligand-Target Pair
TargetRetinoic acid receptor RXR-gamma(Homo sapiens (Human))
SRI International

Curated by ChEMBL
LigandPNGBDBM50033062(4-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-naphthal...)
Show SMILES CC1(C)CCC(C)(C)c2cc(Oc3ccc(cc3)C(O)=O)ccc12
Show InChI InChI=1S/C21H24O3/c1-20(2)11-12-21(3,4)18-13-16(9-10-17(18)20)24-15-7-5-14(6-8-15)19(22)23/h5-10,13H,11-12H2,1-4H3,(H,22,23)
Affinity DataEC50:  530nMAssay Description:Effective concentrations against Retinoic acid receptor RXR-gammaMore data for this Ligand-Target Pair
TargetRetinoic acid receptor RXR-gamma(Homo sapiens (Human))
SRI International

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:  122nMAssay Description:Effective concentrations against Retinoic acid receptor RXR-gammaMore data for this Ligand-Target Pair
TargetRetinoic acid receptor RXR-beta(Homo sapiens (Human))
SRI International

Curated by ChEMBL
LigandPNGBDBM50033076(5-[1-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-nap...)
Show SMILES Cc1cc2c(cc1C(=C)c1ccc(s1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C22H26O2S/c1-13-11-16-17(22(5,6)10-9-21(16,3)4)12-15(13)14(2)18-7-8-19(25-18)20(23)24/h7-8,11-12H,2,9-10H2,1,3-6H3,(H,23,24)
Affinity DataEC50:  33nMAssay Description:Effective concentrations against Retinoic acid receptor RXR-betaMore data for this Ligand-Target Pair
TargetRetinoic acid receptor RXR-alpha(Homo sapiens (Human))
SRI International

Curated by ChEMBL
LigandPNGBDBM50033077(4-[2-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-napht...)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C1(OCCO1)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C24H28O4/c1-22(2)11-12-23(3,4)20-15-18(9-10-19(20)22)24(27-13-14-28-24)17-7-5-16(6-8-17)21(25)26/h5-10,15H,11-14H2,1-4H3,(H,25,26)
Affinity DataEC50:  34nMAssay Description:Effective concentration against Retinoic acid receptor RXR-alphaMore data for this Ligand-Target Pair
TargetRetinoic acid receptor RXR-beta(Homo sapiens (Human))
SRI International

Curated by ChEMBL
LigandPNGBDBM50033078(4-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-naphthal...)
Show SMILES CC1(C)CCC(C)(C)c2cc(Cc3ccc(cc3)C(O)=O)ccc12
Show InChI InChI=1S/C22H26O2/c1-21(2)11-12-22(3,4)19-14-16(7-10-18(19)21)13-15-5-8-17(9-6-15)20(23)24/h5-10,14H,11-13H2,1-4H3,(H,23,24)
Affinity DataEC50:  2.70E+3nMAssay Description:Effective concentrations against Retinoic acid receptor RXR-betaMore data for this Ligand-Target Pair
TargetRetinoic acid receptor RXR-gamma(Homo sapiens (Human))
SRI International

Curated by ChEMBL
LigandPNGBDBM50033078(4-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-naphthal...)
Show SMILES CC1(C)CCC(C)(C)c2cc(Cc3ccc(cc3)C(O)=O)ccc12
Show InChI InChI=1S/C22H26O2/c1-21(2)11-12-22(3,4)19-14-16(7-10-18(19)21)13-15-5-8-17(9-6-15)20(23)24/h5-10,14H,11-13H2,1-4H3,(H,23,24)
Affinity DataEC50:  2.00E+3nMAssay Description:Effective concentrations against Retinoic acid receptor RXR-gammaMore data for this Ligand-Target Pair
TargetRetinoic acid receptor RXR-gamma(Homo sapiens (Human))
SRI International

Curated by ChEMBL
LigandPNGBDBM50033065((2E,4E)-3,7-Dimethyl-6-(5,5,8,8-tetramethyl-5,6,7,...)
Show SMILES CC(C)=C(\C=C\C(\C)=C\C(O)=O)c1ccc2c(c1)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H32O2/c1-16(2)19(10-8-17(3)14-22(25)26)18-9-11-20-21(15-18)24(6,7)13-12-23(20,4)5/h8-11,14-15H,12-13H2,1-7H3,(H,25,26)/b10-8+,17-14+
Affinity DataEC50:  520nMAssay Description:Effective concentrations against Retinoic acid receptor RXR-gammaMore data for this Ligand-Target Pair
TargetRetinoic acid receptor RXR-alpha(Homo sapiens (Human))
SRI International

Curated by ChEMBL
LigandPNGBDBM50033079(4-[1-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-napht...)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C(=C)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C23H26O2/c1-15(16-6-8-17(9-7-16)21(24)25)18-10-11-19-20(14-18)23(4,5)13-12-22(19,2)3/h6-11,14H,1,12-13H2,2-5H3,(H,24,25)
Affinity DataEC50:  270nMAssay Description:Effective concentration against Retinoic acid receptor RXR-alphaMore data for this Ligand-Target Pair
TargetRetinoic acid receptor RXR-alpha(Homo sapiens (Human))
SRI International

Curated by ChEMBL
LigandPNGBDBM50033076(5-[1-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-nap...)
Show SMILES Cc1cc2c(cc1C(=C)c1ccc(s1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C22H26O2S/c1-13-11-16-17(22(5,6)10-9-21(16,3)4)12-15(13)14(2)18-7-8-19(25-18)20(23)24/h7-8,11-12H,2,9-10H2,1,3-6H3,(H,23,24)
Affinity DataEC50:  330nMAssay Description:Effective concentration against Retinoic acid receptor RXR-alphaMore data for this Ligand-Target Pair
TargetRetinoic acid receptor alpha(Homo sapiens (Human))
SRI International

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 DataEC50:  23nMAssay Description:Relative activity against Retinoic acid receptor RAR alpha compared to ATRAMore data for this Ligand-Target Pair
TargetRetinoic acid receptor RXR-alpha(Homo sapiens (Human))
SRI International

Curated by ChEMBL
LigandPNGBDBM50033066(4-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-naphthal...)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C(=O)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C22H24O3/c1-21(2)11-12-22(3,4)18-13-16(9-10-17(18)21)19(23)14-5-7-15(8-6-14)20(24)25/h5-10,13H,11-12H2,1-4H3,(H,24,25)
Affinity DataEC50:  3.00E+3nMAssay Description:Effective concentration against Retinoic acid receptor RXR-alphaMore data for this Ligand-Target Pair
TargetRetinoic acid receptor RXR-beta(Homo sapiens (Human))
SRI International

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 DataEC50:  4.5nMAssay Description:Effective concentrations against Retinoic acid receptor RXR-betaMore data for this Ligand-Target Pair
TargetRetinoic acid receptor RXR-beta(Homo sapiens (Human))
SRI International

Curated by ChEMBL
LigandPNGBDBM50033080(4-[2-Methyl-1-(5,5,8,8-tetramethyl-5,6,7,8-tetrahy...)
Show SMILES CC(C)=C(c1ccc(cc1)C(O)=O)c1ccc2c(c1)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C25H30O2/c1-16(2)22(17-7-9-18(10-8-17)23(26)27)19-11-12-20-21(15-19)25(5,6)14-13-24(20,3)4/h7-12,15H,13-14H2,1-6H3,(H,26,27)
Affinity DataEC50:  980nMAssay Description:Effective concentrations against Retinoic acid receptor RXR-betaMore data for this Ligand-Target Pair
TargetRetinoic acid receptor RXR-beta(Homo sapiens (Human))
SRI International

Curated by ChEMBL
LigandPNGBDBM50033077(4-[2-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-napht...)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C1(OCCO1)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C24H28O4/c1-22(2)11-12-23(3,4)20-15-18(9-10-19(20)22)24(27-13-14-28-24)17-7-5-16(6-8-17)21(25)26/h5-10,15H,11-14H2,1-4H3,(H,25,26)
Affinity DataEC50:  180nMAssay Description:Effective concentrations against Retinoic acid receptor RXR-betaMore data for this Ligand-Target Pair
TargetRetinoic acid receptor RXR-gamma(Homo sapiens (Human))
SRI International

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 DataEC50:  4.30nMAssay Description:Effective concentrations against Retinoic acid receptor RXR-gammaMore data for this Ligand-Target Pair
TargetRetinoic acid receptor RXR-alpha(Homo sapiens (Human))
SRI International

Curated by ChEMBL
LigandPNGBDBM50033069((2E,4E)-3,7-Dimethyl-6-(3,5,5,8,8-pentamethyl-5,6,...)
Show SMILES CC(C)=C(\C=C\C(\C)=C\C(O)=O)c1cc2c(cc1C)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C25H34O2/c1-16(2)19(10-9-17(3)13-23(26)27)20-15-22-21(14-18(20)4)24(5,6)11-12-25(22,7)8/h9-10,13-15H,11-12H2,1-8H3,(H,26,27)/b10-9+,17-13+
Affinity DataEC50:  200nMAssay Description:Effective concentration against Retinoic acid receptor RXR-alphaMore data for this Ligand-Target Pair
Displayed 1 to 50 (of 64 total ) | Next | Last >>
Jump to: