Compile Data Set for Download or QSAR

PubMed code 8759622

Found 15 hits of Enzyme Inhibition Constant Data   

TargetRetinoic acid receptor beta(Homo sapiens (Human))
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM50045268(4-[(Z)-2-(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/c1-16(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 DataKd:  5nMAssay Description:Binding affinity for baculovirus-expressed Retinoic acid receptor RAR betaMore data for this Ligand-Target Pair
TargetRetinoic acid receptor gamma(Homo sapiens (Human))
Allergan 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 DataKd:  18nMAssay Description:Binding affinity for baculovirus-expressed Retinoic acid receptor RAR gammaMore data for this Ligand-Target Pair
TargetRetinoic acid receptor alpha(Homo sapiens (Human))
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM50052412(4-[(4-Bromo-3-hydroxy-5,5,8,8-tetramethyl-5,6,7,8-...)
Show SMILES CC1(C)CCC(C)(C)c2c(Br)c(O)c(cc12)C(=O)Nc1cc(F)c(C(O)=O)c(F)c1
Show InChI InChI=1S/C22H22BrF2NO4/c1-21(2)5-6-22(3,4)16-12(21)9-11(18(27)17(16)23)19(28)26-10-7-13(24)15(20(29)30)14(25)8-10/h7-9,27H,5-6H2,1-4H3,(H,26,28)(H,29,30)
Affinity DataKd:  8.40nMAssay Description:Binding affinity for baculovirus-expressed Retinoic acid receptor RAR alphaMore data for this Ligand-Target Pair
TargetRetinoic acid receptor beta(Homo sapiens (Human))
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM50052414(4-(1,1,4,4-tetramethyl-1,2,3,4-tetrahydronaphthale...)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C(=O)Nc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C22H25NO3/c1-21(2)11-12-22(3,4)18-13-15(7-10-17(18)21)19(24)23-16-8-5-14(6-9-16)20(25)26/h5-10,13H,11-12H2,1-4H3,(H,23,24)(H,25,26)
Affinity DataKd:  1.36E+3nMAssay Description:Binding affinity for baculovirus-expressed Retinoic acid receptor RAR betaMore data for this Ligand-Target Pair
TargetRetinoic acid receptor alpha(Homo sapiens (Human))
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM50052414(4-(1,1,4,4-tetramethyl-1,2,3,4-tetrahydronaphthale...)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C(=O)Nc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C22H25NO3/c1-21(2)11-12-22(3,4)18-13-15(7-10-17(18)21)19(24)23-16-8-5-14(6-9-16)20(25)26/h5-10,13H,11-12H2,1-4H3,(H,23,24)(H,25,26)
Affinity DataKd:  36nMAssay Description:Binding affinity for baculovirus-expressed Retinoic acid receptor RAR alphaMore data for this Ligand-Target Pair
TargetRetinoic acid receptor alpha(Homo sapiens (Human))
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM50045268(4-[(Z)-2-(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/c1-16(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 DataKd:  72nMAssay Description:Binding affinity for baculovirus-expressed Retinoic acid receptor RAR alphaMore data for this Ligand-Target Pair
TargetRetinoic acid receptor beta(Homo sapiens (Human))
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM50052412(4-[(4-Bromo-3-hydroxy-5,5,8,8-tetramethyl-5,6,7,8-...)
Show SMILES CC1(C)CCC(C)(C)c2c(Br)c(O)c(cc12)C(=O)Nc1cc(F)c(C(O)=O)c(F)c1
Show InChI InChI=1S/C22H22BrF2NO4/c1-21(2)5-6-22(3,4)16-12(21)9-11(18(27)17(16)23)19(28)26-10-7-13(24)15(20(29)30)14(25)8-10/h7-9,27H,5-6H2,1-4H3,(H,26,28)(H,29,30)
Affinity DataKd:  1.74E+4nMAssay Description:Binding affinity for baculovirus-expressed Retinoic acid receptor RAR betaMore data for this Ligand-Target Pair
TargetRetinoic acid receptor beta(Homo sapiens (Human))
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM50052413(4-[(4-Bromo-3-hydroxy-5,5,8,8-tetramethyl-5,6,7,8-...)
Show SMILES CC1(C)CCC(C)(C)c2c(Br)c(O)c(cc12)C(=O)Nc1ccc(C(O)=O)c(F)c1
Show InChI InChI=1S/C22H23BrFNO4/c1-21(2)7-8-22(3,4)16-14(21)10-13(18(26)17(16)23)19(27)25-11-5-6-12(20(28)29)15(24)9-11/h5-6,9-10,26H,7-8H2,1-4H3,(H,25,27)(H,28,29)
Affinity DataKd:  3.04E+3nMAssay Description:Binding affinity for baculovirus-expressed Retinoic acid receptor RAR betaMore data for this Ligand-Target Pair
TargetRetinoic acid receptor gamma(Homo sapiens (Human))
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM50052413(4-[(4-Bromo-3-hydroxy-5,5,8,8-tetramethyl-5,6,7,8-...)
Show SMILES CC1(C)CCC(C)(C)c2c(Br)c(O)c(cc12)C(=O)Nc1ccc(C(O)=O)c(F)c1
Show InChI InChI=1S/C22H23BrFNO4/c1-21(2)7-8-22(3,4)16-14(21)10-13(18(26)17(16)23)19(27)25-11-5-6-12(20(28)29)15(24)9-11/h5-6,9-10,26H,7-8H2,1-4H3,(H,25,27)(H,28,29)
Affinity DataKd: >3.00E+4nMAssay Description:Binding affinity for baculovirus-expressed Retinoic acid receptor RAR gammaMore data for this Ligand-Target Pair
TargetRetinoic acid receptor gamma(Homo sapiens (Human))
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM50052414(4-(1,1,4,4-tetramethyl-1,2,3,4-tetrahydronaphthale...)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C(=O)Nc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C22H25NO3/c1-21(2)11-12-22(3,4)18-13-15(7-10-17(18)21)19(24)23-16-8-5-14(6-9-16)20(25)26/h5-10,13H,11-12H2,1-4H3,(H,23,24)(H,25,26)
Affinity DataKd:  3.82E+3nMAssay Description:Binding affinity for baculovirus-expressed Retinoic acid receptor RAR gammaMore data for this Ligand-Target Pair
TargetRetinoic acid receptor alpha(Homo sapiens (Human))
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM50052413(4-[(4-Bromo-3-hydroxy-5,5,8,8-tetramethyl-5,6,7,8-...)
Show SMILES CC1(C)CCC(C)(C)c2c(Br)c(O)c(cc12)C(=O)Nc1ccc(C(O)=O)c(F)c1
Show InChI InChI=1S/C22H23BrFNO4/c1-21(2)7-8-22(3,4)16-14(21)10-13(18(26)17(16)23)19(27)25-11-5-6-12(20(28)29)15(24)9-11/h5-6,9-10,26H,7-8H2,1-4H3,(H,25,27)(H,28,29)
Affinity DataKd:  4.40nMAssay Description:Binding affinity for baculovirus-expressed Retinoic acid receptor RAR alphaMore data for this Ligand-Target Pair
TargetRetinoic acid receptor gamma(Homo sapiens (Human))
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM50045268(4-[(Z)-2-(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/c1-16(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 DataKd:  26nMAssay Description:Binding affinity for baculovirus-expressed Retinoic acid receptor RAR gammaMore data for this Ligand-Target Pair
TargetRetinoic acid receptor alpha(Homo sapiens (Human))
Allergan 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 DataKd:  15nMAssay Description:Binding affinity for baculovirus-expressed Retinoic acid receptor RAR alphaMore data for this Ligand-Target Pair
TargetRetinoic acid receptor beta(Homo sapiens (Human))
Allergan 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 DataKd:  13nMAssay Description:Binding affinity for baculovirus-expressed Retinoic acid receptor RAR betaMore data for this Ligand-Target Pair
TargetRetinoic acid receptor gamma(Homo sapiens (Human))
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM50052412(4-[(4-Bromo-3-hydroxy-5,5,8,8-tetramethyl-5,6,7,8-...)
Show SMILES CC1(C)CCC(C)(C)c2c(Br)c(O)c(cc12)C(=O)Nc1cc(F)c(C(O)=O)c(F)c1
Show InChI InChI=1S/C22H22BrF2NO4/c1-21(2)5-6-22(3,4)16-12(21)9-11(18(27)17(16)23)19(28)26-10-7-13(24)15(20(29)30)14(25)8-10/h7-9,27H,5-6H2,1-4H3,(H,26,28)(H,29,30)
Affinity DataKd: >3.00E+4nMAssay Description:Binding affinity for baculovirus-expressed Retinoic acid receptor RAR gammaMore data for this Ligand-Target Pair
* indicates data uncertainty>20%