Compile Data Set for Download or QSAR
Found 22 Enz. Inhib. hit(s) with all data for entry = 50030001
TargetRetinoic acid receptor alpha(Homo sapiens (Human))
TBA

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 DataKi:  0.100nMAssay Description:Binding affinity towards human Retinoic acid receptor alphaMore data for this Ligand-Target Pair
In DepthDetails Article
TargetRetinoic acid receptor beta(Homo sapiens (Human))
TBA

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 DataKi:  0.400nMAssay Description:Binding affinity towards cRARbeta2 receptor by displacing 1.1 nM 3[H]-9-cis-RAMore data for this Ligand-Target Pair
TargetRetinoic acid receptor beta(Homo sapiens (Human))
TBA

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 DataKi:  0.5nMAssay Description:Binding affinity towards cRARbeta2 receptor by displacing 0.82 nM 3[H]-all-trans-RAMore data for this Ligand-Target Pair
TargetRetinoic acid receptor beta(Homo sapiens (Human))
TBA

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 DataKi:  0.5nMAssay Description:Binding affinity towards cRARbeta2 receptor by displacing 1.1 nM 3[H]-9-cis-RAMore data for this Ligand-Target Pair
TargetRetinoic acid receptor beta(Homo sapiens (Human))
TBA

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 DataKi:  0.5nMAssay Description:Binding affinity towards cRARbeta2 receptor by displacing 0.82 nM 3[H]-all-trans-RAMore data for this Ligand-Target Pair
TargetRetinoic acid receptor beta(Homo sapiens (Human))
TBA

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 DataKi:  0.5nMAssay Description:Binding affinity towards cRARbeta2 receptor by displacing 1.1 nM 3[H]-9-cis-RAMore data for this Ligand-Target Pair
TargetRetinoic acid receptor gamma(Homo sapiens (Human))
TBA

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 DataKi:  0.600nMAssay Description:Binding affinity towards human Retinoic acid receptor gammaMore data for this Ligand-Target Pair
TargetRetinoic acid receptor beta(Homo sapiens (Human))
TBA

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 DataKi:  0.700nMAssay Description:Binding affinity towards cRARbeta2 receptor by displacing 1.1 nM 3[H]-9-cis-RAMore data for this Ligand-Target Pair
TargetRetinoic acid receptor alpha(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50290137((2E,4E)-3-Methyl-5-{2-[(E)-2-(3,3,6,6-tetramethyl-...)
Show SMILES C\C(\C=C\C1CC1\C=C\C1=CC(C)(C)CCC1(C)C)=C/C(O)=O
Show InChI InChI=1S/C21H30O2/c1-15(12-19(22)23)6-7-16-13-17(16)8-9-18-14-20(2,3)10-11-21(18,4)5/h6-9,12,14,16-17H,10-11,13H2,1-5H3,(H,22,23)/b7-6+,9-8+,15-12+
Affinity DataKi:  3.10nMAssay Description:Binding affinity towards human Retinoic acid receptor alphaMore data for this Ligand-Target Pair
In DepthDetails Article
TargetRetinoic acid receptor beta(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50290137((2E,4E)-3-Methyl-5-{2-[(E)-2-(3,3,6,6-tetramethyl-...)
Show SMILES C\C(\C=C\C1CC1\C=C\C1=CC(C)(C)CCC1(C)C)=C/C(O)=O
Show InChI InChI=1S/C21H30O2/c1-15(12-19(22)23)6-7-16-13-17(16)8-9-18-14-20(2,3)10-11-21(18,4)5/h6-9,12,14,16-17H,10-11,13H2,1-5H3,(H,22,23)/b7-6+,9-8+,15-12+
Affinity DataKi:  11nMAssay Description:Binding affinity towards cRARbeta2 receptor by displacing 0.82 nM 3[H]-all-trans-RAMore data for this Ligand-Target Pair
In DepthDetails Article
TargetRetinoic acid receptor beta(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50290137((2E,4E)-3-Methyl-5-{2-[(E)-2-(3,3,6,6-tetramethyl-...)
Show SMILES C\C(\C=C\C1CC1\C=C\C1=CC(C)(C)CCC1(C)C)=C/C(O)=O
Show InChI InChI=1S/C21H30O2/c1-15(12-19(22)23)6-7-16-13-17(16)8-9-18-14-20(2,3)10-11-21(18,4)5/h6-9,12,14,16-17H,10-11,13H2,1-5H3,(H,22,23)/b7-6+,9-8+,15-12+
Affinity DataKi:  13nMAssay Description:Binding affinity towards cRARbeta2 receptor by displacing 0.82 nM 3[H]-all-trans-RAMore data for this Ligand-Target Pair
In DepthDetails Article
TargetRetinoic acid receptor RXR-gamma(Homo sapiens (Human))
TBA

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 DataKi:  27nMAssay Description:Binding affinity towards Retinoic acid receptor RXR-gamma by displacing 3.4 nM 3[H]-9-cis-RAMore data for this Ligand-Target Pair
TargetRetinoic acid receptor gamma(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50290137((2E,4E)-3-Methyl-5-{2-[(E)-2-(3,3,6,6-tetramethyl-...)
Show SMILES C\C(\C=C\C1CC1\C=C\C1=CC(C)(C)CCC1(C)C)=C/C(O)=O
Show InChI InChI=1S/C21H30O2/c1-15(12-19(22)23)6-7-16-13-17(16)8-9-18-14-20(2,3)10-11-21(18,4)5/h6-9,12,14,16-17H,10-11,13H2,1-5H3,(H,22,23)/b7-6+,9-8+,15-12+
Affinity DataKi:  32nMAssay Description:Binding affinity towards human Retinoic acid receptor gammaMore data for this Ligand-Target Pair
In DepthDetails Article
TargetRetinoic acid receptor RXR-gamma(Homo sapiens (Human))
TBA

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 DataKi:  75nMAssay Description:Binding affinity towards Retinoic acid receptor RXR-gammaMore data for this Ligand-Target Pair
TargetRetinoic acid receptor beta(Homo sapiens (Human))
TBA

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 DataKi: >550nMAssay Description:Binding affinity towards cRARbeta2 receptor by displacing 0.82 nM 3[H]-all-trans-RAMore data for this Ligand-Target Pair
In DepthDetails Article
TargetRetinoic acid receptor beta(Homo sapiens (Human))
TBA

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 DataKi: >800nMAssay Description:Binding affinity towards cRARbeta2 receptor by displacing 1.1 nM 3[H]-9-cis-RAMore data for this Ligand-Target Pair
In DepthDetails Article
TargetRetinoic acid receptor beta(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50290138((2Z,4E)-3-Methyl-5-{2-[(E)-2-(3,3,6,6-tetramethyl-...)
Show SMILES C\C(\C=C\C1CC1\C=C\C1=CC(C)(C)CCC1(C)C)=C\C(O)=O
Show InChI InChI=1S/C21H30O2/c1-15(12-19(22)23)6-7-16-13-17(16)8-9-18-14-20(2,3)10-11-21(18,4)5/h6-9,12,14,16-17H,10-11,13H2,1-5H3,(H,22,23)/b7-6+,9-8+,15-12-
Affinity DataKi: >1.10E+3nMAssay Description:Binding affinity towards cRARbeta2 receptor by displacing 0.82 nM 3[H]-all-trans-RAMore data for this Ligand-Target Pair
In DepthDetails Article
TargetRetinoic acid receptor beta(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50290138((2Z,4E)-3-Methyl-5-{2-[(E)-2-(3,3,6,6-tetramethyl-...)
Show SMILES C\C(\C=C\C1CC1\C=C\C1=CC(C)(C)CCC1(C)C)=C\C(O)=O
Show InChI InChI=1S/C21H30O2/c1-15(12-19(22)23)6-7-16-13-17(16)8-9-18-14-20(2,3)10-11-21(18,4)5/h6-9,12,14,16-17H,10-11,13H2,1-5H3,(H,22,23)/b7-6+,9-8+,15-12-
Affinity DataKi: >1.20E+3nMAssay Description:Binding affinity towards cRARbeta2 receptor by displacing 1.1 nM 3[H]-9-cis-RAMore data for this Ligand-Target Pair
In DepthDetails Article
TargetRetinoic acid receptor RXR-gamma(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50290138((2Z,4E)-3-Methyl-5-{2-[(E)-2-(3,3,6,6-tetramethyl-...)
Show SMILES C\C(\C=C\C1CC1\C=C\C1=CC(C)(C)CCC1(C)C)=C\C(O)=O
Show InChI InChI=1S/C21H30O2/c1-15(12-19(22)23)6-7-16-13-17(16)8-9-18-14-20(2,3)10-11-21(18,4)5/h6-9,12,14,16-17H,10-11,13H2,1-5H3,(H,22,23)/b7-6+,9-8+,15-12-
Affinity DataKi: >2.80E+3nMAssay Description:Binding affinity towards Retinoic acid receptor RXR-gamma by displacing 3.4 nM 3[H]-9-cis-RAMore data for this Ligand-Target Pair
In DepthDetails Article
TargetRetinoic acid receptor gamma(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50290138((2Z,4E)-3-Methyl-5-{2-[(E)-2-(3,3,6,6-tetramethyl-...)
Show SMILES C\C(\C=C\C1CC1\C=C\C1=CC(C)(C)CCC1(C)C)=C\C(O)=O
Show InChI InChI=1S/C21H30O2/c1-15(12-19(22)23)6-7-16-13-17(16)8-9-18-14-20(2,3)10-11-21(18,4)5/h6-9,12,14,16-17H,10-11,13H2,1-5H3,(H,22,23)/b7-6+,9-8+,15-12-
Affinity DataKi: >4.00E+3nMAssay Description:Binding affinity towards human Retinoic acid receptor gammaMore data for this Ligand-Target Pair
In DepthDetails Article
TargetRetinoic acid receptor alpha(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50290138((2Z,4E)-3-Methyl-5-{2-[(E)-2-(3,3,6,6-tetramethyl-...)
Show SMILES C\C(\C=C\C1CC1\C=C\C1=CC(C)(C)CCC1(C)C)=C\C(O)=O
Show InChI InChI=1S/C21H30O2/c1-15(12-19(22)23)6-7-16-13-17(16)8-9-18-14-20(2,3)10-11-21(18,4)5/h6-9,12,14,16-17H,10-11,13H2,1-5H3,(H,22,23)/b7-6+,9-8+,15-12-
Affinity DataKi: >4.00E+3nMAssay Description:Binding affinity towards human Retinoic acid receptor alphaMore data for this Ligand-Target Pair
In DepthDetails Article
TargetRetinoic acid receptor RXR-gamma(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50290137((2E,4E)-3-Methyl-5-{2-[(E)-2-(3,3,6,6-tetramethyl-...)
Show SMILES C\C(\C=C\C1CC1\C=C\C1=CC(C)(C)CCC1(C)C)=C/C(O)=O
Show InChI InChI=1S/C21H30O2/c1-15(12-19(22)23)6-7-16-13-17(16)8-9-18-14-20(2,3)10-11-21(18,4)5/h6-9,12,14,16-17H,10-11,13H2,1-5H3,(H,22,23)/b7-6+,9-8+,15-12+
Affinity DataKi: >7.20E+3nMAssay Description:Binding affinity towards Retinoic acid receptor RXR-gamma by displacing 3.4 nM 3[H]-9-cis-RAMore data for this Ligand-Target Pair
In DepthDetails Article