Compile Data Set for Download or QSAR

PubMed code 19502054

Found 3 hits of Enzyme Inhibition Constant Data   

TargetRetinoic acid receptor alpha(Homo sapiens (Human))
Temple University

Curated by ChEMBL
LigandPNGBDBM50296049((2E,4E)-2,4-dimethyl-5-(6,6,9,9-tetramethyl-4-oxo-...)
Show SMILES C\C(\C=C(/C)C(O)=O)=C/c1coc2cc3c(cc2c1=O)C(C)(C)CCC3(C)C
Show InChI InChI=1S/C24H28O4/c1-14(9-15(2)22(26)27)10-16-13-28-20-12-19-18(11-17(20)21(16)25)23(3,4)7-8-24(19,5)6/h9-13H,7-8H2,1-6H3,(H,26,27)/b14-10+,15-9+
Affinity DataIC50: 15nMAssay Description:Displacement of radioligand from RARalpha receptorMore data for this Ligand-Target Pair
TargetRetinoic acid receptor gamma(Homo sapiens (Human))
Temple University

Curated by ChEMBL
LigandPNGBDBM50296049((2E,4E)-2,4-dimethyl-5-(6,6,9,9-tetramethyl-4-oxo-...)
Show SMILES C\C(\C=C(/C)C(O)=O)=C/c1coc2cc3c(cc2c1=O)C(C)(C)CCC3(C)C
Show InChI InChI=1S/C24H28O4/c1-14(9-15(2)22(26)27)10-16-13-28-20-12-19-18(11-17(20)21(16)25)23(3,4)7-8-24(19,5)6/h9-13H,7-8H2,1-6H3,(H,26,27)/b14-10+,15-9+
Affinity DataIC50: 40nMAssay Description:Displacement of radioligand from RARgamma receptorMore data for this Ligand-Target Pair
TargetRetinoic acid receptor beta(Homo sapiens (Human))
Temple University

Curated by ChEMBL
LigandPNGBDBM50296049((2E,4E)-2,4-dimethyl-5-(6,6,9,9-tetramethyl-4-oxo-...)
Show SMILES C\C(\C=C(/C)C(O)=O)=C/c1coc2cc3c(cc2c1=O)C(C)(C)CCC3(C)C
Show InChI InChI=1S/C24H28O4/c1-14(9-15(2)22(26)27)10-16-13-28-20-12-19-18(11-17(20)21(16)25)23(3,4)7-8-24(19,5)6/h9-13H,7-8H2,1-6H3,(H,26,27)/b14-10+,15-9+
Affinity DataIC50: 40nMAssay Description:Displacement of radioligand from RARbeta receptorMore data for this Ligand-Target Pair
* indicates data uncertainty>20%