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PubMed code 17490875

Compile data set for download or QSAR
Found 24 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50212412
PNG
(3-(3-(1-isopropyl-4,4,6-trimethyl-2-oxo-1,2,3,4-te...)
Show SMILES COc1ccc(CCC(O)=O)cc1-c1cc2N(C(C)C)C(=O)CC(C)(C)c2cc1C
Show InChI InChI=1S/C25H31NO4/c1-15(2)26-21-13-18(16(3)11-20(21)25(4,5)14-23(26)27)19-12-17(8-10-24(28)29)7-9-22(19)30-6/h7,9,11-13,15H,8,10,14H2,1-6H3,(H,28,29)
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n/an/an/an/a 361n/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Activity at RXRalpha by GAL4DNA cotransfection assay


Bioorg Med Chem Lett 17: 3491-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.049
BindingDB Entry DOI: 10.7270/Q2T153B1
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50212423
PNG
(3-(3-(1,4,4,6-tetramethyl-2-oxo-1,2,3,4-tetrahydro...)
Show SMILES CN1C(=O)CC(C)(C)c2cc(C)c(cc12)-c1cc(CCC(O)=O)ccc1OC(F)(F)F
Show InChI InChI=1S/C23H24F3NO4/c1-13-9-17-18(27(4)20(28)12-22(17,2)3)11-15(13)16-10-14(6-8-21(29)30)5-7-19(16)31-23(24,25)26/h5,7,9-11H,6,8,12H2,1-4H3,(H,29,30)
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n/an/an/an/a 45.9n/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Activity at RXRalpha by GAL4DNA cotransfection assay


Bioorg Med Chem Lett 17: 3491-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.049
BindingDB Entry DOI: 10.7270/Q2T153B1
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50212404
PNG
(2-(3-(1-ethyl-4,4,6-trimethyl-2-oxo-1,2,3,4-tetrah...)
Show SMILES CCN1C(=O)CC(C)(C)c2cc(C)c(cc12)-c1cc(ccc1OC(F)(F)F)C1CC1C(O)=O |w:27.29,29.33|
Show InChI InChI=1S/C25H26F3NO4/c1-5-29-20-11-15(13(2)8-19(20)24(3,4)12-22(29)30)17-9-14(16-10-18(16)23(31)32)6-7-21(17)33-25(26,27)28/h6-9,11,16,18H,5,10,12H2,1-4H3,(H,31,32)
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n/an/an/an/a 19.2n/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Activity at RXRalpha by GAL4DNA cotransfection assay


Bioorg Med Chem Lett 17: 3491-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.049
BindingDB Entry DOI: 10.7270/Q2T153B1
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50212410
PNG
(4-(3-(1-ethyl-4,4,6-trimethyl-2-oxo-1,2,3,4-tetrah...)
Show SMILES CCN1C(=O)CC(C)(C)c2cc(C)c(cc12)-c1cc(CCCC(O)=O)ccc1OC(F)(F)F
Show InChI InChI=1S/C25H28F3NO4/c1-5-29-20-13-17(15(2)11-19(20)24(3,4)14-22(29)30)18-12-16(7-6-8-23(31)32)9-10-21(18)33-25(26,27)28/h9-13H,5-8,14H2,1-4H3,(H,31,32)
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n/an/an/an/a 527n/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Activity at RXRalpha by GAL4DNA cotransfection assay


Bioorg Med Chem Lett 17: 3491-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.049
BindingDB Entry DOI: 10.7270/Q2T153B1
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50212427
PNG
(2-(3-(1-isopropyl-4,4,6-trimethyl-2-oxo-1,2,3,4-te...)
Show SMILES CC(C)N1C(=O)CC(C)(C)c2cc(C)c(cc12)-c1cc(ccc1OC(F)(F)F)C1CC1C(O)=O |w:28.30,30.34|
Show InChI InChI=1S/C26H28F3NO4/c1-13(2)30-21-11-16(14(3)8-20(21)25(4,5)12-23(30)31)18-9-15(17-10-19(17)24(32)33)6-7-22(18)34-26(27,28)29/h6-9,11,13,17,19H,10,12H2,1-5H3,(H,32,33)
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n/an/an/an/a 5n/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Activity at RXRalpha by GAL4DNA cotransfection assay


Bioorg Med Chem Lett 17: 3491-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.049
BindingDB Entry DOI: 10.7270/Q2T153B1
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50212403
PNG
((1R,2R)-2-(3-(1-ethyl-4,4,6-trimethyl-2-oxo-1,2,3,...)
Show SMILES CCN1C(=O)CC(C)(C)c2cc(C)c(cc12)-c1cc(ccc1OC(F)(F)F)[C@@H]1C[C@H]1C(O)=O
Show InChI InChI=1S/C25H26F3NO4/c1-5-29-20-11-15(13(2)8-19(20)24(3,4)12-22(29)30)17-9-14(16-10-18(16)23(31)32)6-7-21(17)33-25(26,27)28/h6-9,11,16,18H,5,10,12H2,1-4H3,(H,31,32)/t16-,18+/m0/s1
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n/an/an/an/a 2.30n/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Activity at RXRalpha by GAL4DNA cotransfection assay


Bioorg Med Chem Lett 17: 3491-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.049
BindingDB Entry DOI: 10.7270/Q2T153B1
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50212414
PNG
(3-(3-(1-ethyl-4,4,6-trimethyl-2-oxo-1,2,3,4-tetrah...)
Show SMILES CCN1C(=O)CC(C)(C)c2cc(C)c(cc12)-c1cc(CC(C)C(O)=O)ccc1OC(F)(F)F |w:20.22|
Show InChI InChI=1S/C25H28F3NO4/c1-6-29-20-12-17(14(2)10-19(20)24(4,5)13-22(29)30)18-11-16(9-15(3)23(31)32)7-8-21(18)33-25(26,27)28/h7-8,10-12,15H,6,9,13H2,1-5H3,(H,31,32)
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n/an/an/an/a 760n/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Activity at RXRalpha by GAL4DNA cotransfection assay


Bioorg Med Chem Lett 17: 3491-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.049
BindingDB Entry DOI: 10.7270/Q2T153B1
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50212419
PNG
(3-(3-(1-ethyl-4,4,6-trimethyl-2-oxo-1,2,3,4-tetrah...)
Show SMILES CCN1C(=O)CC(C)(C)c2cc(C)c(cc12)-c1cc(ccc1OC(F)(F)F)C(\C)=C\C(O)=O
Show InChI InChI=1S/C25H26F3NO4/c1-6-29-20-12-17(15(3)9-19(20)24(4,5)13-22(29)30)18-11-16(14(2)10-23(31)32)7-8-21(18)33-25(26,27)28/h7-12H,6,13H2,1-5H3,(H,31,32)/b14-10+
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n/an/an/an/a>1.00E+4n/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Activity at RXRalpha by GAL4DNA cotransfection assay


Bioorg Med Chem Lett 17: 3491-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.049
BindingDB Entry DOI: 10.7270/Q2T153B1
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50212411
PNG
(3-(3-(1-ethyl-4,4,6-trimethyl-2-oxo-1,2,3,4-tetrah...)
Show SMILES CCN1C(=O)CC(C)(C)c2cc(C)c(cc12)-c1cc(ccc1OC(F)(F)F)C(C)CC(O)=O |w:27.30|
Show InChI InChI=1S/C25H28F3NO4/c1-6-29-20-12-17(15(3)9-19(20)24(4,5)13-22(29)30)18-11-16(14(2)10-23(31)32)7-8-21(18)33-25(26,27)28/h7-9,11-12,14H,6,10,13H2,1-5H3,(H,31,32)
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n/an/an/an/a 37.7n/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Activity at RXRalpha by GAL4DNA cotransfection assay


Bioorg Med Chem Lett 17: 3491-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.049
BindingDB Entry DOI: 10.7270/Q2T153B1
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50212407
PNG
((Z)-3-(3-(1-ethyl-4,4,6-trimethyl-2-oxo-1,2,3,4-te...)
Show SMILES CCN1C(=O)CC(C)(C)c2cc(C)c(cc12)-c1cc(\C=C/C(O)=O)ccc1OC(F)(F)F
Show InChI InChI=1S/C24H24F3NO4/c1-5-28-19-12-16(14(2)10-18(19)23(3,4)13-21(28)29)17-11-15(7-9-22(30)31)6-8-20(17)32-24(25,26)27/h6-12H,5,13H2,1-4H3,(H,30,31)/b9-7-
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n/an/an/an/a 39.1n/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Activity at RXRalpha by GAL4DNA cotransfection assay


Bioorg Med Chem Lett 17: 3491-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.049
BindingDB Entry DOI: 10.7270/Q2T153B1
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50212408
PNG
(2-(3-(1,4,4,6-tetramethyl-2-oxo-1,2,3,4-tetrahydro...)
Show SMILES CN1C(=O)CC(C)(C)c2cc(C)c(cc12)-c1cc(ccc1OCC(F)(F)F)C1CC1C(O)=O |w:27.29,29.33|
Show InChI InChI=1S/C25H26F3NO4/c1-13-7-19-20(29(4)22(30)11-24(19,2)3)10-15(13)17-8-14(16-9-18(16)23(31)32)5-6-21(17)33-12-25(26,27)28/h5-8,10,16,18H,9,11-12H2,1-4H3,(H,31,32)
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n/an/an/an/a 144n/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Activity at RXRalpha by GAL4DNA cotransfection assay


Bioorg Med Chem Lett 17: 3491-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.049
BindingDB Entry DOI: 10.7270/Q2T153B1
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50212409
PNG
((1R,2R)-2-(3-(1-isopropyl-4,4,6-trimethyl-2-oxo-1,...)
Show SMILES CC(C)N1C(=O)CC(C)(C)c2cc(C)c(cc12)-c1cc(ccc1OC(F)(F)F)[C@@H]1C[C@H]1C(O)=O
Show InChI InChI=1S/C26H28F3NO4/c1-13(2)30-21-11-16(14(3)8-20(21)25(4,5)12-23(30)31)18-9-15(17-10-19(17)24(32)33)6-7-22(18)34-26(27,28)29/h6-9,11,13,17,19H,10,12H2,1-5H3,(H,32,33)/t17-,19+/m0/s1
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n/an/an/an/a 10n/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Activity at RXRalpha by GAL4DNA cotransfection assay


Bioorg Med Chem Lett 17: 3491-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.049
BindingDB Entry DOI: 10.7270/Q2T153B1
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50212413
PNG
((1S,2S)-2-(3-(1-ethyl-4,4,6-trimethyl-2-oxo-1,2,3,...)
Show SMILES CCN1C(=O)CC(C)(C)c2cc(C)c(cc12)-c1cc(ccc1OC(F)(F)F)[C@H]1C[C@@H]1C(O)=O
Show InChI InChI=1S/C25H26F3NO4/c1-5-29-20-11-15(13(2)8-19(20)24(3,4)12-22(29)30)17-9-14(16-10-18(16)23(31)32)6-7-21(17)33-25(26,27)28/h6-9,11,16,18H,5,10,12H2,1-4H3,(H,31,32)/t16-,18+/m1/s1
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n/an/an/an/a 361n/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Activity at RXRalpha by GAL4DNA cotransfection assay


Bioorg Med Chem Lett 17: 3491-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.049
BindingDB Entry DOI: 10.7270/Q2T153B1
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50212422
PNG
(2-(3-(1-ethyl-4,4,6-trimethyl-2-oxo-1,2,3,4-tetrah...)
Show SMILES CCN1C(=O)CC(C)(C)c2cc(C)c(cc12)-c1cc(ccc1OCC(F)(F)F)C1CC1C(O)=O |w:28.30,30.34|
Show InChI InChI=1S/C26H28F3NO4/c1-5-30-21-11-16(14(2)8-20(21)25(3,4)12-23(30)31)18-9-15(17-10-19(17)24(32)33)6-7-22(18)34-13-26(27,28)29/h6-9,11,17,19H,5,10,12-13H2,1-4H3,(H,32,33)
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n/an/an/an/a 116n/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Activity at RXRalpha by GAL4DNA cotransfection assay


Bioorg Med Chem Lett 17: 3491-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.049
BindingDB Entry DOI: 10.7270/Q2T153B1
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50212418
PNG
(3-(3-(1-ethyl-4,4,6-trimethyl-2-oxo-1,2,3,4-tetrah...)
Show SMILES CCN1C(=O)CC(C)(C)c2cc(C)c(cc12)-c1cc(CCC(O)=O)ccc1OC(F)(F)F
Show InChI InChI=1S/C24H26F3NO4/c1-5-28-19-12-16(14(2)10-18(19)23(3,4)13-21(28)29)17-11-15(7-9-22(30)31)6-8-20(17)32-24(25,26)27/h6,8,10-12H,5,7,9,13H2,1-4H3,(H,30,31)
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n/an/an/an/a 7.20n/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Activity at RXRalpha by GAL4DNA cotransfection assay


Bioorg Med Chem Lett 17: 3491-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.049
BindingDB Entry DOI: 10.7270/Q2T153B1
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50212417
PNG
(3-(4-(trifluoromethoxy)-3-(4,4,6-trimethyl-2-oxo-1...)
Show SMILES Cc1cc2c(cc1-c1cc(CCC(O)=O)ccc1OC(F)(F)F)N(CC(F)(F)F)C(=O)CC2(C)C
Show InChI InChI=1S/C24H23F6NO4/c1-13-8-17-18(31(12-23(25,26)27)20(32)11-22(17,2)3)10-15(13)16-9-14(5-7-21(33)34)4-6-19(16)35-24(28,29)30/h4,6,8-10H,5,7,11-12H2,1-3H3,(H,33,34)
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n/an/an/an/a 1.40n/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Activity at RXRalpha by GAL4DNA cotransfection assay


Bioorg Med Chem Lett 17: 3491-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.049
BindingDB Entry DOI: 10.7270/Q2T153B1
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50212277
PNG
((E)-3-(3-(1-ethyl-4,4,6-trimethyl-2-oxo-1,2,3,4-te...)
Show SMILES CCN1C(=O)CC(C)(C)c2cc(C)c(cc12)-c1cc(\C=C\C(O)=O)ccc1OC(F)(F)F
Show InChI InChI=1S/C24H24F3NO4/c1-5-28-19-12-16(14(2)10-18(19)23(3,4)13-21(28)29)17-11-15(7-9-22(30)31)6-8-20(17)32-24(25,26)27/h6-12H,5,13H2,1-4H3,(H,30,31)/b9-7+
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n/an/an/an/a 1.80n/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Activity at RXRalpha by GAL4DNA cotransfection assay


Bioorg Med Chem Lett 17: 3491-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.049
BindingDB Entry DOI: 10.7270/Q2T153B1
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50212416
PNG
((1S,2S)-2-(3-(1-isopropyl-4,4,6-trimethyl-2-oxo-1,...)
Show SMILES CC(C)N1C(=O)CC(C)(C)c2cc(C)c(cc12)-c1cc(ccc1OC(F)(F)F)[C@H]1C[C@@H]1C(O)=O
Show InChI InChI=1S/C26H28F3NO4/c1-13(2)30-21-11-16(14(3)8-20(21)25(4,5)12-23(30)31)18-9-15(17-10-19(17)24(32)33)6-7-22(18)34-26(27,28)29/h6-9,11,13,17,19H,10,12H2,1-5H3,(H,32,33)/t17-,19+/m1/s1
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n/an/an/an/a 198n/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Activity at RXRalpha by GAL4DNA cotransfection assay


Bioorg Med Chem Lett 17: 3491-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.049
BindingDB Entry DOI: 10.7270/Q2T153B1
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50212425
PNG
(2-(3-(1-isopropyl-4,4,6-trimethyl-2-oxo-1,2,3,4-te...)
Show SMILES COc1ccc(cc1-c1cc2N(C(C)C)C(=O)CC(C)(C)c2cc1C)C1CC1C(O)=O |w:25.27,27.31|
Show InChI InChI=1S/C26H31NO4/c1-14(2)27-22-12-17(15(3)9-21(22)26(4,5)13-24(27)28)19-10-16(7-8-23(19)31-6)18-11-20(18)25(29)30/h7-10,12,14,18,20H,11,13H2,1-6H3,(H,29,30)
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n/an/an/an/a 208n/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Activity at RXRalpha by GAL4DNA cotransfection assay


Bioorg Med Chem Lett 17: 3491-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.049
BindingDB Entry DOI: 10.7270/Q2T153B1
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50212274
PNG
(5-((3-(1-ethyl-4,4,6-trimethyl-2-oxo-1,2,3,4-tetra...)
Show SMILES CCN1C(=O)CC(C)(C)c2cc(C)c(cc12)-c1cc(C=C2SC(O)=NC2=O)ccc1OC(F)(F)F |w:19.20,c:25|
Show InChI InChI=1S/C25H23F3N2O4S/c1-5-30-18-11-15(13(2)8-17(18)24(3,4)12-21(30)31)16-9-14(6-7-19(16)34-25(26,27)28)10-20-22(32)29-23(33)35-20/h6-11H,5,12H2,1-4H3,(H,29,32,33)
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n/an/an/an/a 0.900n/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Activity at RXRalpha by GAL4DNA cotransfection assay


Bioorg Med Chem Lett 17: 3491-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.049
BindingDB Entry DOI: 10.7270/Q2T153B1
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50212406
PNG
(3-(3-(1-isopropyl-4,4,6-trimethyl-2-oxo-1,2,3,4-te...)
Show SMILES CC(C)N1C(=O)CC(C)(C)c2cc(C)c(cc12)-c1cc(CCC(O)=O)ccc1OC(F)(F)F
Show InChI InChI=1S/C25H28F3NO4/c1-14(2)29-20-12-17(15(3)10-19(20)24(4,5)13-22(29)30)18-11-16(7-9-23(31)32)6-8-21(18)33-25(26,27)28/h6,8,10-12,14H,7,9,13H2,1-5H3,(H,31,32)
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n/an/an/an/a 3.40n/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Activity at RXRalpha by GAL4DNA cotransfection assay


Bioorg Med Chem Lett 17: 3491-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.049
BindingDB Entry DOI: 10.7270/Q2T153B1
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50212426
PNG
(3-(3-(1-ethyl-4,4,6-trimethyl-2-oxo-1,2,3,4-tetrah...)
Show SMILES CCN1C(=O)CC(C)(C)c2cc(C)c(cc12)-c1cc(\C=C(/C)C(O)=O)ccc1OC(F)(F)F
Show InChI InChI=1S/C25H26F3NO4/c1-6-29-20-12-17(14(2)10-19(20)24(4,5)13-22(29)30)18-11-16(9-15(3)23(31)32)7-8-21(18)33-25(26,27)28/h7-12H,6,13H2,1-5H3,(H,31,32)/b15-9+
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n/an/an/an/a 27.9n/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Activity at RXRalpha by GAL4DNA cotransfection assay


Bioorg Med Chem Lett 17: 3491-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.049
BindingDB Entry DOI: 10.7270/Q2T153B1
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50212415
PNG
(3-(3-(1-isopropyl-4,4,6-trimethyl-2-oxo-1,2,3,4-te...)
Show SMILES CC(C)N1C(=O)CC(C)(C)c2cc(C)c(cc12)-c1cc(CCC(O)=O)ccc1OCC(F)(F)F
Show InChI InChI=1S/C26H30F3NO4/c1-15(2)30-21-12-18(16(3)10-20(21)25(4,5)13-23(30)31)19-11-17(7-9-24(32)33)6-8-22(19)34-14-26(27,28)29/h6,8,10-12,15H,7,9,13-14H2,1-5H3,(H,32,33)
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n/an/an/an/a 36.5n/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Activity at RXRalpha by GAL4DNA cotransfection assay


Bioorg Med Chem Lett 17: 3491-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.049
BindingDB Entry DOI: 10.7270/Q2T153B1
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50212405
PNG
(3-(3-(1-ethyl-4,4,6-trimethyl-2-oxo-1,2,3,4-tetrah...)
Show SMILES CCN1C(=O)CC(C)(C)c2cc(C)c(cc12)-c1cc(CCC(O)=O)ccc1OCC(F)(F)F
Show InChI InChI=1S/C25H28F3NO4/c1-5-29-20-12-17(15(2)10-19(20)24(3,4)13-22(29)30)18-11-16(7-9-23(31)32)6-8-21(18)33-14-25(26,27)28/h6,8,10-12H,5,7,9,13-14H2,1-4H3,(H,31,32)
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n/an/an/an/a 70.2n/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Activity at RXRalpha by GAL4DNA cotransfection assay


Bioorg Med Chem Lett 17: 3491-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.049
BindingDB Entry DOI: 10.7270/Q2T153B1
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%