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PubMed code 20638278

Compile data set for download or QSAR
Found 145 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
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50323517
PNG
(4-((6-((3-(2,6-dichlorophenyl)-5-isopropylisoxazol...)
Show SMILES CC(C)c1onc(c1COc1ccc(N(C)C(=O)c2ccc(cc2)C(O)=O)c(n1)C(F)(F)F)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C28H22Cl2F3N3O5/c1-14(2)24-17(23(35-41-24)22-18(29)5-4-6-19(22)30)13-40-21-12-11-20(25(34-21)28(31,32)33)36(3)26(37)15-7-9-16(10-8-15)27(38)39/h4-12,14H,13H2,1-3H3,(H,38,39)
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n/an/an/an/a 208n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at human full length FXR transfected in HEK293 cells coexpressing pTRexDest/pGL2promotor assessed as luciferase activity by direct r...


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50323529
PNG
(2-(4-(((6-((3-(2,6-dichlorophenyl)-5-isopropylisox...)
Show SMILES CC(C)c1onc(c1COc1ccc(N(C)Cc2ccc(OCCO)cc2)c(n1)C(F)(F)F)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C29H28Cl2F3N3O4/c1-17(2)27-20(26(36-41-27)25-21(30)5-4-6-22(25)31)16-40-24-12-11-23(28(35-24)29(32,33)34)37(3)15-18-7-9-19(10-8-18)39-14-13-38/h4-12,17,38H,13-16H2,1-3H3
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n/an/an/an/a 155n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at human full length FXR transfected in HEK293 cells coexpressing pTRexDest/pGL2promotor assessed as luciferase activity by direct r...


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50323520
PNG
(3-((6-((3-(2,6-dichlorophenyl)-5-isopropylisoxazol...)
Show SMILES CC(C)c1onc(c1COc1ccc(N(C)C(=O)c2cccc(c2)C(O)=O)c(n1)C(F)(F)F)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C28H22Cl2F3N3O5/c1-14(2)24-17(23(35-41-24)22-18(29)8-5-9-19(22)30)13-40-21-11-10-20(25(34-21)28(31,32)33)36(3)26(37)15-6-4-7-16(12-15)27(38)39/h4-12,14H,13H2,1-3H3,(H,38,39)
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n/an/an/an/a 537n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at human full length FXR transfected in HEK293 cells coexpressing pTRexDest/pGL2promotor assessed as luciferase activity by direct r...


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50323533
PNG
(4-(((6-((5-cyclopropyl-3-(2,6-dichlorophenyl)isoxa...)
Show SMILES CN(Cc1ccc(cc1)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)nc1C(F)(F)F
Show InChI InChI=1S/C28H22Cl2F3N3O4/c1-36(13-15-5-7-17(8-6-15)27(37)38)21-11-12-22(34-26(21)28(31,32)33)39-14-18-24(35-40-25(18)16-9-10-16)23-19(29)3-2-4-20(23)30/h2-8,11-12,16H,9-10,13-14H2,1H3,(H,37,38)
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n/an/an/an/a 30n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at human GST-fused FXR LBD expressed in HEK293 cells coexpressing GAL4-DNA bindig domain and pFRluc by mammalian one-hybrid assay


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50323522
PNG
(3-(2,6-dichlorophenyl)-5-isopropyl-4-((4-methylqui...)
Show SMILES CC(C)c1onc(c1COc1cc(C)c2ccccc2n1)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C23H20Cl2N2O2/c1-13(2)23-16(22(27-29-23)21-17(24)8-6-9-18(21)25)12-28-20-11-14(3)15-7-4-5-10-19(15)26-20/h4-11,13H,12H2,1-3H3
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n/an/an/an/a 878n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at human full length FXR transfected in HEK293 cells coexpressing pTRexDest/pGL2promotor assessed as luciferase activity by direct r...


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50323521
PNG
(3-(2,6-dichlorophenyl)-5-isopropyl-4-((4-methyl-5-...)
Show SMILES CC(C)c1[o+][n-]c(c1COc1cc(C)c(cn1)[N+]([O-])=O)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C19H17Cl2N3O4/c1-10(2)19-12(9-27-16-7-11(3)15(8-22-16)24(25)26)18(23-28-19)17-13(20)5-4-6-14(17)21/h4-8,10H,9H2,1-3H3
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n/an/an/an/a 1.00E+3n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at human GST-fused FXR LBD expressed in HEK293 cells coexpressing GAL4-DNA bindig domain and pFRluc by mammalian one-hybrid assay


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50323540
PNG
(2-((6-((5-cyclopropyl-3-(2,6-dichlorophenyl)isoxaz...)
Show SMILES OC(=O)c1ccccc1OCc1ccc(OCc2c(noc2C2CC2)-c2c(Cl)cccc2Cl)nc1C(F)(F)F
Show InChI InChI=1S/C27H19Cl2F3N2O5/c28-18-5-3-6-19(29)22(18)23-17(24(39-34-23)14-8-9-14)13-38-21-11-10-15(25(33-21)27(30,31)32)12-37-20-7-2-1-4-16(20)26(35)36/h1-7,10-11,14H,8-9,12-13H2,(H,35,36)
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n/an/an/an/a 434n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at human GST-fused FXR LBD assessed as cofactor peptide interaction with receptor ligand binding domain by FRET assay


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50323539
PNG
(4-((1-(6-((5-cyclopropyl-3-(2,6-dichlorophenyl)iso...)
Show SMILES CC(N(C)c1ccc(cc1)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)nc1C(F)(F)F
Show InChI InChI=1S/C29H24Cl2F3N3O4/c1-15(37(2)18-10-8-17(9-11-18)28(38)39)19-12-13-23(35-27(19)29(32,33)34)40-14-20-25(36-41-26(20)16-6-7-16)24-21(30)4-3-5-22(24)31/h3-5,8-13,15-16H,6-7,14H2,1-2H3,(H,38,39)
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n/an/an/an/a 182n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at human full length FXR transfected in HEK293 cells coexpressing pTRexDest/pGL2promotor assessed as luciferase activity by direct r...


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50323525
PNG
(3-(4-(((6-((3-(2,6-dichlorophenyl)-5-isopropylisox...)
Show SMILES CC(C)c1onc(c1COc1ccc(N(C)Cc2ccc(CCC(O)=O)cc2)c(n1)C(F)(F)F)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C30H28Cl2F3N3O4/c1-17(2)28-20(27(37-42-28)26-21(31)5-4-6-22(26)32)16-41-24-13-12-23(29(36-24)30(33,34)35)38(3)15-19-9-7-18(8-10-19)11-14-25(39)40/h4-10,12-13,17H,11,14-16H2,1-3H3,(H,39,40)
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n/an/an/an/a 17n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at human GST-fused FXR LBD assessed as cofactor peptide interaction with receptor ligand binding domain by FRET assay


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50323517
PNG
(4-((6-((3-(2,6-dichlorophenyl)-5-isopropylisoxazol...)
Show SMILES CC(C)c1onc(c1COc1ccc(N(C)C(=O)c2ccc(cc2)C(O)=O)c(n1)C(F)(F)F)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C28H22Cl2F3N3O5/c1-14(2)24-17(23(35-41-24)22-18(29)5-4-6-19(22)30)13-40-21-12-11-20(25(34-21)28(31,32)33)36(3)26(37)15-7-9-16(10-8-15)27(38)39/h4-12,14H,13H2,1-3H3,(H,38,39)
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n/an/an/an/a 316n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at human GST-fused FXR LBD expressed in HEK293 cells coexpressing GAL4-DNA bindig domain and pFRluc by mammalian one-hybrid assay


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50323529
PNG
(2-(4-(((6-((3-(2,6-dichlorophenyl)-5-isopropylisox...)
Show SMILES CC(C)c1onc(c1COc1ccc(N(C)Cc2ccc(OCCO)cc2)c(n1)C(F)(F)F)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C29H28Cl2F3N3O4/c1-17(2)27-20(26(36-41-27)25-21(30)5-4-6-22(25)31)16-40-24-12-11-23(28(35-24)29(32,33)34)37(3)15-18-7-9-19(10-8-18)39-14-13-38/h4-12,17,38H,13-16H2,1-3H3
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n/an/an/an/a 1.15E+3n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at human GST-fused FXR LBD expressed in HEK293 cells coexpressing GAL4-DNA bindig domain and pFRluc by mammalian one-hybrid assay


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50323520
PNG
(3-((6-((3-(2,6-dichlorophenyl)-5-isopropylisoxazol...)
Show SMILES CC(C)c1onc(c1COc1ccc(N(C)C(=O)c2cccc(c2)C(O)=O)c(n1)C(F)(F)F)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C28H22Cl2F3N3O5/c1-14(2)24-17(23(35-41-24)22-18(29)8-5-9-19(22)30)13-40-21-11-10-20(25(34-21)28(31,32)33)36(3)26(37)15-6-4-7-16(12-15)27(38)39/h4-12,14H,13H2,1-3H3,(H,38,39)
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n/an/an/an/a 433n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at human GST-fused FXR LBD expressed in HEK293 cells coexpressing GAL4-DNA bindig domain and pFRluc by mammalian one-hybrid assay


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens)
BDBM50323524
PNG
(4-(((6-((3-(2,6-dichlorophenyl)-5-isopropylisoxazo...)
Show SMILES CC(C)c1onc(c1COc1ccc(N(C)Cc2ccc(cc2)C(O)=O)c(n1)C(F)(F)F)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C28H24Cl2F3N3O4/c1-15(2)25-18(24(35-40-25)23-19(29)5-4-6-20(23)30)14-39-22-12-11-21(26(34-22)28(31,32)33)36(3)13-16-7-9-17(10-8-16)27(37)38/h4-12,15H,13-14H2,1-3H3,(H,37,38)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at RARbeta-LBD expressed in HEK293 cells assessed as Gal4-DBD interaction by cellular mammalian one hybrid assay


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50323524
PNG
(4-(((6-((3-(2,6-dichlorophenyl)-5-isopropylisoxazo...)
Show SMILES CC(C)c1onc(c1COc1ccc(N(C)Cc2ccc(cc2)C(O)=O)c(n1)C(F)(F)F)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C28H24Cl2F3N3O4/c1-15(2)25-18(24(35-40-25)23-19(29)5-4-6-20(23)30)14-39-22-12-11-21(26(34-22)28(31,32)33)36(3)13-16-7-9-17(10-8-16)27(37)38/h4-12,15H,13-14H2,1-3H3,(H,37,38)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at ERbeta-LBD expressed in HEK293 cells assessed as Gal4-DBD interaction by cellular mammalian one hybrid assay


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50323530
PNG
(3-(((6-((5-cyclopropyl-3-(2,6-dichlorophenyl)isoxa...)
Show SMILES CN(Cc1cccc(c1)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)nc1C(F)(F)F
Show InChI InChI=1S/C28H22Cl2F3N3O4/c1-36(13-15-4-2-5-17(12-15)27(37)38)21-10-11-22(34-26(21)28(31,32)33)39-14-18-24(35-40-25(18)16-8-9-16)23-19(29)6-3-7-20(23)30/h2-7,10-12,16H,8-9,13-14H2,1H3,(H,37,38)
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n/an/an/an/a 5.34E+5n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at ERbeta-LBD expressed in HEK293 cells assessed as Gal4-DBD interaction by cellular mammalian one hybrid assay


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Mineralocorticoid receptor (MR)


(Homo sapiens (Human))
BDBM50323524
PNG
(4-(((6-((3-(2,6-dichlorophenyl)-5-isopropylisoxazo...)
Show SMILES CC(C)c1onc(c1COc1ccc(N(C)Cc2ccc(cc2)C(O)=O)c(n1)C(F)(F)F)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C28H24Cl2F3N3O4/c1-15(2)25-18(24(35-40-25)23-19(29)5-4-6-20(23)30)14-39-22-12-11-21(26(34-22)28(31,32)33)36(3)13-16-7-9-17(10-8-16)27(37)38/h4-12,15H,13-14H2,1-3H3,(H,37,38)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at mineralocorticoid receptor-LBD expressed in HEK293 cells assessed as Gal4-DBD interaction by cellular mammalian one hybrid assay


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50323524
PNG
(4-(((6-((3-(2,6-dichlorophenyl)-5-isopropylisoxazo...)
Show SMILES CC(C)c1onc(c1COc1ccc(N(C)Cc2ccc(cc2)C(O)=O)c(n1)C(F)(F)F)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C28H24Cl2F3N3O4/c1-15(2)25-18(24(35-40-25)23-19(29)5-4-6-20(23)30)14-39-22-12-11-21(26(34-22)28(31,32)33)36(3)13-16-7-9-17(10-8-16)27(37)38/h4-12,15H,13-14H2,1-3H3,(H,37,38)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at PPARalpha-LBD expressed in HEK293 cells assessed as Gal4-DBD interaction by cellular mammalian one hybrid assay


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50323530
PNG
(3-(((6-((5-cyclopropyl-3-(2,6-dichlorophenyl)isoxa...)
Show SMILES CN(Cc1cccc(c1)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)nc1C(F)(F)F
Show InChI InChI=1S/C28H22Cl2F3N3O4/c1-36(13-15-4-2-5-17(12-15)27(37)38)21-10-11-22(34-26(21)28(31,32)33)39-14-18-24(35-40-25(18)16-8-9-16)23-19(29)6-3-7-20(23)30/h2-7,10-12,16H,8-9,13-14H2,1H3,(H,37,38)
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n/an/an/an/a 6.80E+5n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at PPARalpha-LBD expressed in HEK293 cells assessed as Gal4-DBD interaction by cellular mammalian one hybrid assay


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50323524
PNG
(4-(((6-((3-(2,6-dichlorophenyl)-5-isopropylisoxazo...)
Show SMILES CC(C)c1onc(c1COc1ccc(N(C)Cc2ccc(cc2)C(O)=O)c(n1)C(F)(F)F)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C28H24Cl2F3N3O4/c1-15(2)25-18(24(35-40-25)23-19(29)5-4-6-20(23)30)14-39-22-12-11-21(26(34-22)28(31,32)33)36(3)13-16-7-9-17(10-8-16)27(37)38/h4-12,15H,13-14H2,1-3H3,(H,37,38)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at PPARgamma-LBD expressed in HEK293 cells assessed as Gal4-DBD interaction by cellular mammalian one hybrid assay


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 3


(Homo sapiens)
BDBM50323530
PNG
(3-(((6-((5-cyclopropyl-3-(2,6-dichlorophenyl)isoxa...)
Show SMILES CN(Cc1cccc(c1)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)nc1C(F)(F)F
Show InChI InChI=1S/C28H22Cl2F3N3O4/c1-36(13-15-4-2-5-17(12-15)27(37)38)21-10-11-22(34-26(21)28(31,32)33)39-14-18-24(35-40-25(18)16-8-9-16)23-19(29)6-3-7-20(23)30/h2-7,10-12,16H,8-9,13-14H2,1H3,(H,37,38)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at CAR-LBD expressed in HEK293 cells assessed as Gal4-DBD interaction by cellular mammalian one hybrid assay


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Pregnane X receptor (PXR)


(Homo sapiens (Human))
BDBM50323530
PNG
(3-(((6-((5-cyclopropyl-3-(2,6-dichlorophenyl)isoxa...)
Show SMILES CN(Cc1cccc(c1)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)nc1C(F)(F)F
Show InChI InChI=1S/C28H22Cl2F3N3O4/c1-36(13-15-4-2-5-17(12-15)27(37)38)21-10-11-22(34-26(21)28(31,32)33)39-14-18-24(35-40-25(18)16-8-9-16)23-19(29)6-3-7-20(23)30/h2-7,10-12,16H,8-9,13-14H2,1H3,(H,37,38)
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n/an/an/an/a 3.90E+5n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at PXR-LBD expressed in HEK293 cells assessed as Gal4-DBD interaction by cellular mammalian one hybrid assay


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50323541
PNG
(3-((6-((5-cyclopropyl-3-(2,6-dichlorophenyl)isoxaz...)
Show SMILES OC(=O)c1cccc(OCc2ccc(OCc3c(noc3C3CC3)-c3c(Cl)cccc3Cl)nc2C(F)(F)F)c1
Show InChI InChI=1S/C27H19Cl2F3N2O5/c28-19-5-2-6-20(29)22(19)23-18(24(39-34-23)14-7-8-14)13-38-21-10-9-16(25(33-21)27(30,31)32)12-37-17-4-1-3-15(11-17)26(35)36/h1-6,9-11,14H,7-8,12-13H2,(H,35,36)
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n/an/an/an/a 33n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at human full length FXR transfected in HEK293 cells coexpressing pTRexDest/pGL2promotor assessed as luciferase activity by direct r...


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50323533
PNG
(4-(((6-((5-cyclopropyl-3-(2,6-dichlorophenyl)isoxa...)
Show SMILES CN(Cc1ccc(cc1)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)nc1C(F)(F)F
Show InChI InChI=1S/C28H22Cl2F3N3O4/c1-36(13-15-5-7-17(8-6-15)27(37)38)21-11-12-22(34-26(21)28(31,32)33)39-14-18-24(35-40-25(18)16-9-10-16)23-19(29)3-2-4-20(23)30/h2-8,11-12,16H,9-10,13-14H2,1H3,(H,37,38)
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n/an/an/an/a 6n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at human full length FXR transfected in HEK293 cells coexpressing pTRexDest/pGL2promotor assessed as luciferase activity by direct r...


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50323536
PNG
(4-(((3-chloro-5-((3-(2,6-dichlorophenyl)-5-isoprop...)
Show SMILES CC(C)c1onc(c1COc1cnc(N(C)Cc2ccc(cc2)C(O)=O)c(Cl)c1)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C27H24Cl3N3O4/c1-15(2)25-19(24(32-37-25)23-20(28)5-4-6-21(23)29)14-36-18-11-22(30)26(31-12-18)33(3)13-16-7-9-17(10-8-16)27(34)35/h4-12,15H,13-14H2,1-3H3,(H,34,35)
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n/an/an/an/a 107n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at human GST-fused FXR LBD expressed in HEK293 cells coexpressing GAL4-DNA bindig domain and pFRluc by mammalian one-hybrid assay


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50323535
PNG
(4-(((6-((5-cyclopropyl-3-(2,6-dichlorophenyl)isoxa...)
Show SMILES CCN(Cc1ccc(cc1)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)nc1C(F)(F)F
Show InChI InChI=1S/C29H24Cl2F3N3O4/c1-2-37(14-16-6-8-18(9-7-16)28(38)39)22-12-13-23(35-27(22)29(32,33)34)40-15-19-25(36-41-26(19)17-10-11-17)24-20(30)4-3-5-21(24)31/h3-9,12-13,17H,2,10-11,14-15H2,1H3,(H,38,39)
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n/an/an/an/a 113n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at human full length FXR transfected in HEK293 cells coexpressing pTRexDest/pGL2promotor assessed as luciferase activity by direct r...


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50323522
PNG
(3-(2,6-dichlorophenyl)-5-isopropyl-4-((4-methylqui...)
Show SMILES CC(C)c1onc(c1COc1cc(C)c2ccccc2n1)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C23H20Cl2N2O2/c1-13(2)23-16(22(27-29-23)21-17(24)8-6-9-18(21)25)12-28-20-11-14(3)15-7-4-5-10-19(15)26-20/h4-11,13H,12H2,1-3H3
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n/an/an/an/a 536n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at human GST-fused FXR LBD expressed in HEK293 cells coexpressing GAL4-DNA bindig domain and pFRluc by mammalian one-hybrid assay


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50323517
PNG
(4-((6-((3-(2,6-dichlorophenyl)-5-isopropylisoxazol...)
Show SMILES CC(C)c1onc(c1COc1ccc(N(C)C(=O)c2ccc(cc2)C(O)=O)c(n1)C(F)(F)F)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C28H22Cl2F3N3O5/c1-14(2)24-17(23(35-41-24)22-18(29)5-4-6-19(22)30)13-40-21-12-11-20(25(34-21)28(31,32)33)36(3)26(37)15-7-9-16(10-8-15)27(38)39/h4-12,14H,13H2,1-3H3,(H,38,39)
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n/an/an/an/a 235n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at human GST-fused FXR LBD assessed as cofactor peptide interaction with receptor ligand binding domain by FRET assay


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50323542
PNG
(4-((6-((5-cyclopropyl-3-(2,6-dichlorophenyl)isoxaz...)
Show SMILES OC(=O)c1ccc(OCc2ccc(OCc3c(noc3C3CC3)-c3c(Cl)cccc3Cl)nc2C(F)(F)F)cc1
Show InChI InChI=1S/C27H19Cl2F3N2O5/c28-19-2-1-3-20(29)22(19)23-18(24(39-34-23)14-4-5-14)13-38-21-11-8-16(25(33-21)27(30,31)32)12-37-17-9-6-15(7-10-17)26(35)36/h1-3,6-11,14H,4-5,12-13H2,(H,35,36)
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n/an/an/an/a 76n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at human GST-fused FXR LBD assessed as cofactor peptide interaction with receptor ligand binding domain by FRET assay


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50323540
PNG
(2-((6-((5-cyclopropyl-3-(2,6-dichlorophenyl)isoxaz...)
Show SMILES OC(=O)c1ccccc1OCc1ccc(OCc2c(noc2C2CC2)-c2c(Cl)cccc2Cl)nc1C(F)(F)F
Show InChI InChI=1S/C27H19Cl2F3N2O5/c28-18-5-3-6-19(29)22(18)23-17(24(39-34-23)14-8-9-14)13-38-21-11-10-15(25(33-21)27(30,31)32)12-37-20-7-2-1-4-16(20)26(35)36/h1-7,10-11,14H,8-9,12-13H2,(H,35,36)
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n/an/an/an/a 1.71E+3n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at human GST-fused FXR LBD expressed in HEK293 cells coexpressing GAL4-DNA bindig domain and pFRluc by mammalian one-hybrid assay


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50323518
PNG
(4-(6-((3-(2,6-dichlorophenyl)-5-isopropylisoxazol-...)
Show SMILES CC(C)c1onc(c1COc1ccc(NC(=O)c2ccc(cc2)C(O)=O)c(n1)C(F)(F)F)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C27H20Cl2F3N3O5/c1-13(2)23-16(22(35-40-23)21-17(28)4-3-5-18(21)29)12-39-20-11-10-19(24(34-20)27(30,31)32)33-25(36)14-6-8-15(9-7-14)26(37)38/h3-11,13H,12H2,1-2H3,(H,33,36)(H,37,38)
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n/an/an/an/a 385n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at human full length FXR transfected in HEK293 cells coexpressing pTRexDest/pGL2promotor assessed as luciferase activity by direct r...


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50323542
PNG
(4-((6-((5-cyclopropyl-3-(2,6-dichlorophenyl)isoxaz...)
Show SMILES OC(=O)c1ccc(OCc2ccc(OCc3c(noc3C3CC3)-c3c(Cl)cccc3Cl)nc2C(F)(F)F)cc1
Show InChI InChI=1S/C27H19Cl2F3N2O5/c28-19-2-1-3-20(29)22(19)23-18(24(39-34-23)14-4-5-14)13-38-21-11-8-16(25(33-21)27(30,31)32)12-37-17-9-6-15(7-10-17)26(35)36/h1-3,6-11,14H,4-5,12-13H2,(H,35,36)
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n/an/an/an/a 38n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at human full length FXR transfected in HEK293 cells coexpressing pTRexDest/pGL2promotor assessed as luciferase activity by direct r...


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50323532
PNG
(2-(3-(((6-((3-(2,6-dichlorophenyl)-5-isopropylisox...)
Show SMILES CC(C)c1onc(c1COc1ccc(N(C)Cc2cccc(c2)C(=O)NCCOP(O)(O)=O)c(n1)C(F)(F)F)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C30H30Cl2F3N4O7P/c1-17(2)27-20(26(38-46-27)25-21(31)8-5-9-22(25)32)16-44-24-11-10-23(28(37-24)30(33,34)35)39(3)15-18-6-4-7-19(14-18)29(40)36-12-13-45-47(41,42)43/h4-11,14,17H,12-13,15-16H2,1-3H3,(H,36,40)(H2,41,42,43)
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n/an/an/an/a 36n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at human GST-fused FXR LBD expressed in HEK293 cells coexpressing GAL4-DNA bindig domain and pFRluc by mammalian one-hybrid assay


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50323535
PNG
(4-(((6-((5-cyclopropyl-3-(2,6-dichlorophenyl)isoxa...)
Show SMILES CCN(Cc1ccc(cc1)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)nc1C(F)(F)F
Show InChI InChI=1S/C29H24Cl2F3N3O4/c1-2-37(14-16-6-8-18(9-7-16)28(38)39)22-12-13-23(35-27(22)29(32,33)34)40-15-19-25(36-41-26(19)17-10-11-17)24-20(30)4-3-5-21(24)31/h3-9,12-13,17H,2,10-11,14-15H2,1H3,(H,38,39)
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n/an/an/an/a 194n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at human GST-fused FXR LBD expressed in HEK293 cells coexpressing GAL4-DNA bindig domain and pFRluc by mammalian one-hybrid assay


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50323539
PNG
(4-((1-(6-((5-cyclopropyl-3-(2,6-dichlorophenyl)iso...)
Show SMILES CC(N(C)c1ccc(cc1)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)nc1C(F)(F)F
Show InChI InChI=1S/C29H24Cl2F3N3O4/c1-15(37(2)18-10-8-17(9-11-18)28(38)39)19-12-13-23(35-27(19)29(32,33)34)40-14-20-25(36-41-26(20)16-6-7-16)24-21(30)4-3-5-22(24)31/h3-5,8-13,15-16H,6-7,14H2,1-2H3,(H,38,39)
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n/an/an/an/a 179n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at human GST-fused FXR LBD expressed in HEK293 cells coexpressing GAL4-DNA bindig domain and pFRluc by mammalian one-hybrid assay


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50323522
PNG
(3-(2,6-dichlorophenyl)-5-isopropyl-4-((4-methylqui...)
Show SMILES CC(C)c1onc(c1COc1cc(C)c2ccccc2n1)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C23H20Cl2N2O2/c1-13(2)23-16(22(27-29-23)21-17(24)8-6-9-18(21)25)12-28-20-11-14(3)15-7-4-5-10-19(15)26-20/h4-11,13H,12H2,1-3H3
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n/an/an/an/a 147n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at human GST-fused FXR LBD expressed in HEK293 cells coexpressing GAL4-DNA bindig domain and pFRluc by mammalian one-hybrid assay


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50323533
PNG
(4-(((6-((5-cyclopropyl-3-(2,6-dichlorophenyl)isoxa...)
Show SMILES CN(Cc1ccc(cc1)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)nc1C(F)(F)F
Show InChI InChI=1S/C28H22Cl2F3N3O4/c1-36(13-15-5-7-17(8-6-15)27(37)38)21-11-12-22(34-26(21)28(31,32)33)39-14-18-24(35-40-25(18)16-9-10-16)23-19(29)3-2-4-20(23)30/h2-8,11-12,16H,9-10,13-14H2,1H3,(H,37,38)
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Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at GR-LBD expressed in HEK293 cells assessed as Gal4-DBD interaction by cellular mammalian one hybrid assay


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50323524
PNG
(4-(((6-((3-(2,6-dichlorophenyl)-5-isopropylisoxazo...)
Show SMILES CC(C)c1onc(c1COc1ccc(N(C)Cc2ccc(cc2)C(O)=O)c(n1)C(F)(F)F)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C28H24Cl2F3N3O4/c1-15(2)25-18(24(35-40-25)23-19(29)5-4-6-20(23)30)14-39-22-12-11-21(26(34-22)28(31,32)33)36(3)13-16-7-9-17(10-8-16)27(37)38/h4-12,15H,13-14H2,1-3H3,(H,37,38)
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Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at PPAR-beta/delta-LBD expressed in HEK293 cells assessed as Gal4-DBD interaction by cellular mammalian one hybrid assay


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50323530
PNG
(3-(((6-((5-cyclopropyl-3-(2,6-dichlorophenyl)isoxa...)
Show SMILES CN(Cc1cccc(c1)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)nc1C(F)(F)F
Show InChI InChI=1S/C28H22Cl2F3N3O4/c1-36(13-15-4-2-5-17(12-15)27(37)38)21-10-11-22(34-26(21)28(31,32)33)39-14-18-24(35-40-25(18)16-8-9-16)23-19(29)6-3-7-20(23)30/h2-7,10-12,16H,8-9,13-14H2,1H3,(H,37,38)
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Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at PPAR-beta/delta-LBD expressed in HEK293 cells assessed as Gal4-DBD interaction by cellular mammalian one hybrid assay


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens)
BDBM50323524
PNG
(4-(((6-((3-(2,6-dichlorophenyl)-5-isopropylisoxazo...)
Show SMILES CC(C)c1onc(c1COc1ccc(N(C)Cc2ccc(cc2)C(O)=O)c(n1)C(F)(F)F)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C28H24Cl2F3N3O4/c1-15(2)25-18(24(35-40-25)23-19(29)5-4-6-20(23)30)14-39-22-12-11-21(26(34-22)28(31,32)33)36(3)13-16-7-9-17(10-8-16)27(37)38/h4-12,15H,13-14H2,1-3H3,(H,37,38)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at RARalpha-LBD expressed in HEK293 cells assessed as Gal4-DBD interaction by cellular mammalian one hybrid assay


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens)
BDBM50323524
PNG
(4-(((6-((3-(2,6-dichlorophenyl)-5-isopropylisoxazo...)
Show SMILES CC(C)c1onc(c1COc1ccc(N(C)Cc2ccc(cc2)C(O)=O)c(n1)C(F)(F)F)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C28H24Cl2F3N3O4/c1-15(2)25-18(24(35-40-25)23-19(29)5-4-6-20(23)30)14-39-22-12-11-21(26(34-22)28(31,32)33)36(3)13-16-7-9-17(10-8-16)27(37)38/h4-12,15H,13-14H2,1-3H3,(H,37,38)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at RARgamma-LBD expressed in HEK293 cells assessed as Gal4-DBD interaction by cellular mammalian one hybrid assay


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50323530
PNG
(3-(((6-((5-cyclopropyl-3-(2,6-dichlorophenyl)isoxa...)
Show SMILES CN(Cc1cccc(c1)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)nc1C(F)(F)F
Show InChI InChI=1S/C28H22Cl2F3N3O4/c1-36(13-15-4-2-5-17(12-15)27(37)38)21-10-11-22(34-26(21)28(31,32)33)39-14-18-24(35-40-25(18)16-8-9-16)23-19(29)6-3-7-20(23)30/h2-7,10-12,16H,8-9,13-14H2,1H3,(H,37,38)
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Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at VDR-LBD expressed in HEK293 cells assessed as Gal4-DBD interaction by cellular mammalian one hybrid assay


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50323533
PNG
(4-(((6-((5-cyclopropyl-3-(2,6-dichlorophenyl)isoxa...)
Show SMILES CN(Cc1ccc(cc1)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)nc1C(F)(F)F
Show InChI InChI=1S/C28H22Cl2F3N3O4/c1-36(13-15-5-7-17(8-6-15)27(37)38)21-11-12-22(34-26(21)28(31,32)33)39-14-18-24(35-40-25(18)16-9-10-16)23-19(29)3-2-4-20(23)30/h2-8,11-12,16H,9-10,13-14H2,1H3,(H,37,38)
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Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at VDR-LBD expressed in HEK293 cells assessed as Gal4-DBD interaction by cellular mammalian one hybrid assay


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Pregnane X receptor (PXR)


(Homo sapiens (Human))
BDBM50323533
PNG
(4-(((6-((5-cyclopropyl-3-(2,6-dichlorophenyl)isoxa...)
Show SMILES CN(Cc1ccc(cc1)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)nc1C(F)(F)F
Show InChI InChI=1S/C28H22Cl2F3N3O4/c1-36(13-15-5-7-17(8-6-15)27(37)38)21-11-12-22(34-26(21)28(31,32)33)39-14-18-24(35-40-25(18)16-9-10-16)23-19(29)3-2-4-20(23)30/h2-8,11-12,16H,9-10,13-14H2,1H3,(H,37,38)
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n/an/an/an/a 3.87E+6n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at PXR-LBD expressed in HEK293 cells assessed as Gal4-DBD interaction by cellular mammalian one hybrid assay


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50323519
PNG
(4-((6-((3-(2,6-dichlorophenyl)-5-isopropylisoxazol...)
Show SMILES CC(C)c1onc(c1COc1ccc(N(C)C(=O)c2ccc(cc2)C(O)=O)c(C)n1)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C28H25Cl2N3O5/c1-15(2)26-19(25(32-38-26)24-20(29)6-5-7-21(24)30)14-37-23-13-12-22(16(3)31-23)33(4)27(34)17-8-10-18(11-9-17)28(35)36/h5-13,15H,14H2,1-4H3,(H,35,36)
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n/an/an/an/a 2.03E+3n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at human GST-fused FXR LBD expressed in HEK293 cells coexpressing GAL4-DNA bindig domain and pFRluc by mammalian one-hybrid assay


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM21724
PNG
(3-[(E)-2-(2-chloro-4-{[3-(2,6-dichlorophenyl)-5-(1...)
Show SMILES CC(C)c1onc(c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C28H22Cl3NO4/c1-16(2)27-21(26(32-36-27)25-22(29)7-4-8-23(25)30)15-35-20-12-11-18(24(31)14-20)10-9-17-5-3-6-19(13-17)28(33)34/h3-14,16H,15H2,1-2H3,(H,33,34)/b10-9+
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n/an/an/an/a 35n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at human GST-fused FXR LBD expressed in HEK293 cells coexpressing GAL4-DNA bindig domain and pFRluc by mammalian one-hybrid assay


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50323530
PNG
(3-(((6-((5-cyclopropyl-3-(2,6-dichlorophenyl)isoxa...)
Show SMILES CN(Cc1cccc(c1)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)nc1C(F)(F)F
Show InChI InChI=1S/C28H22Cl2F3N3O4/c1-36(13-15-4-2-5-17(12-15)27(37)38)21-10-11-22(34-26(21)28(31,32)33)39-14-18-24(35-40-25(18)16-8-9-16)23-19(29)6-3-7-20(23)30/h2-7,10-12,16H,8-9,13-14H2,1H3,(H,37,38)
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Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at LXRbeta-LBD expressed in HEK293 cells assessed as Gal4-DBD interaction by cellular mammalian one hybrid assay


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50323536
PNG
(4-(((3-chloro-5-((3-(2,6-dichlorophenyl)-5-isoprop...)
Show SMILES CC(C)c1onc(c1COc1cnc(N(C)Cc2ccc(cc2)C(O)=O)c(Cl)c1)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C27H24Cl3N3O4/c1-15(2)25-19(24(32-37-25)23-20(28)5-4-6-21(23)29)14-36-18-11-22(30)26(31-12-18)33(3)13-16-7-9-17(10-8-16)27(34)35/h4-12,15H,13-14H2,1-3H3,(H,34,35)
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n/an/an/an/a 242n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at human GST-fused FXR LBD assessed as cofactor peptide interaction with receptor ligand binding domain by FRET assay


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50323534
PNG
(2-(4-(((6-((5-cyclopropyl-3-(2,6-dichlorophenyl)is...)
Show SMILES CN(Cc1ccc(cc1)C(=O)NCCS(O)(=O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)nc1C(F)(F)F
Show InChI InChI=1S/C30H27Cl2F3N4O6S/c1-39(15-17-5-7-19(8-6-17)29(40)36-13-14-46(41,42)43)23-11-12-24(37-28(23)30(33,34)35)44-16-20-26(38-45-27(20)18-9-10-18)25-21(31)3-2-4-22(25)32/h2-8,11-12,18H,9-10,13-16H2,1H3,(H,36,40)(H,41,42,43)
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n/an/an/an/a 925n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at human full length FXR transfected in HEK293 cells coexpressing pTRexDest/pGL2promotor assessed as luciferase activity by direct r...


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50323537
PNG
(3-(((3-chloro-5-((3-(2,6-dichlorophenyl)-5-isoprop...)
Show SMILES CC(C)c1onc(c1COc1cnc(N(C)Cc2cccc(c2)C(O)=O)c(Cl)c1)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C27H24Cl3N3O4/c1-15(2)25-19(24(32-37-25)23-20(28)8-5-9-21(23)29)14-36-18-11-22(30)26(31-12-18)33(3)13-16-6-4-7-17(10-16)27(34)35/h4-12,15H,13-14H2,1-3H3,(H,34,35)
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n/an/an/an/a 100n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at human GST-fused FXR LBD expressed in HEK293 cells coexpressing GAL4-DNA bindig domain and pFRluc by mammalian one-hybrid assay


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50323535
PNG
(4-(((6-((5-cyclopropyl-3-(2,6-dichlorophenyl)isoxa...)
Show SMILES CCN(Cc1ccc(cc1)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)nc1C(F)(F)F
Show InChI InChI=1S/C29H24Cl2F3N3O4/c1-2-37(14-16-6-8-18(9-7-16)28(38)39)22-12-13-23(35-27(22)29(32,33)34)40-15-19-25(36-41-26(19)17-10-11-17)24-20(30)4-3-5-21(24)31/h3-9,12-13,17H,2,10-11,14-15H2,1H3,(H,38,39)
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Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at human GST-fused FXR LBD expressed in HEK293 cells coexpressing GAL4-DNA bindig domain and pFRluc by mammalian one-hybrid assay


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50323520
PNG
(3-((6-((3-(2,6-dichlorophenyl)-5-isopropylisoxazol...)
Show SMILES CC(C)c1onc(c1COc1ccc(N(C)C(=O)c2cccc(c2)C(O)=O)c(n1)C(F)(F)F)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C28H22Cl2F3N3O5/c1-14(2)24-17(23(35-41-24)22-18(29)8-5-9-19(22)30)13-40-21-11-10-20(25(34-21)28(31,32)33)36(3)26(37)15-6-4-7-16(12-15)27(38)39/h4-12,14H,13H2,1-3H3,(H,38,39)
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n/an/an/an/a 571n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at human GST-fused FXR LBD expressed in HEK293 cells coexpressing GAL4-DNA bindig domain and pFRluc by mammalian one-hybrid assay


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50323524
PNG
(4-(((6-((3-(2,6-dichlorophenyl)-5-isopropylisoxazo...)
Show SMILES CC(C)c1onc(c1COc1ccc(N(C)Cc2ccc(cc2)C(O)=O)c(n1)C(F)(F)F)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C28H24Cl2F3N3O4/c1-15(2)25-18(24(35-40-25)23-19(29)5-4-6-20(23)30)14-39-22-12-11-21(26(34-22)28(31,32)33)36(3)13-16-7-9-17(10-8-16)27(37)38/h4-12,15H,13-14H2,1-3H3,(H,37,38)
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n/an/an/an/a 22n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at human GST-fused FXR LBD assessed as cofactor peptide interaction with receptor ligand binding domain by FRET assay


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50323525
PNG
(3-(4-(((6-((3-(2,6-dichlorophenyl)-5-isopropylisox...)
Show SMILES CC(C)c1onc(c1COc1ccc(N(C)Cc2ccc(CCC(O)=O)cc2)c(n1)C(F)(F)F)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C30H28Cl2F3N3O4/c1-17(2)28-20(27(37-42-28)26-21(31)5-4-6-22(26)32)16-41-24-13-12-23(29(36-24)30(33,34)35)38(3)15-19-9-7-18(8-10-19)11-14-25(39)40/h4-10,12-13,17H,11,14-16H2,1-3H3,(H,39,40)
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n/an/an/an/a 35n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at human GST-fused FXR LBD expressed in HEK293 cells coexpressing GAL4-DNA bindig domain and pFRluc by mammalian one-hybrid assay


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50323526
PNG
(3-(((6-((3-(2,6-dichlorophenyl)-5-isopropylisoxazo...)
Show SMILES CC(C)c1onc(c1COc1ccc(N(C)Cc2cccc(c2)C(O)=O)c(n1)C(F)(F)F)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C28H24Cl2F3N3O4/c1-15(2)25-18(24(35-40-25)23-19(29)8-5-9-20(23)30)14-39-22-11-10-21(26(34-22)28(31,32)33)36(3)13-16-6-4-7-17(12-16)27(37)38/h4-12,15H,13-14H2,1-3H3,(H,37,38)
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n/an/an/an/a 80n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at human GST-fused FXR LBD expressed in HEK293 cells coexpressing GAL4-DNA bindig domain and pFRluc by mammalian one-hybrid assay


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50323525
PNG
(3-(4-(((6-((3-(2,6-dichlorophenyl)-5-isopropylisox...)
Show SMILES CC(C)c1onc(c1COc1ccc(N(C)Cc2ccc(CCC(O)=O)cc2)c(n1)C(F)(F)F)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C30H28Cl2F3N3O4/c1-17(2)28-20(27(37-42-28)26-21(31)5-4-6-22(26)32)16-41-24-13-12-23(29(36-24)30(33,34)35)38(3)15-19-9-7-18(8-10-19)11-14-25(39)40/h4-10,12-13,17H,11,14-16H2,1-3H3,(H,39,40)
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n/an/an/an/a 16n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at human full length FXR transfected in HEK293 cells coexpressing pTRexDest/pGL2promotor assessed as luciferase activity by direct r...


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50323527
PNG
(4-(((6-((3-(2,6-dichlorophenyl)-5-isopropylisoxazo...)
Show SMILES CC(C)c1onc(c1COc1ccc(N(C)Cc2ccc(cc2)C(=O)NS(C)(=O)=O)c(n1)C(F)(F)F)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C29H27Cl2F3N4O5S/c1-16(2)26-19(25(36-43-26)24-20(30)6-5-7-21(24)31)15-42-23-13-12-22(27(35-23)29(32,33)34)38(3)14-17-8-10-18(11-9-17)28(39)37-44(4,40)41/h5-13,16H,14-15H2,1-4H3,(H,37,39)
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n/an/an/an/a 11n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at human full length FXR transfected in HEK293 cells coexpressing pTRexDest/pGL2promotor assessed as luciferase activity by direct r...


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM21724
PNG
(3-[(E)-2-(2-chloro-4-{[3-(2,6-dichlorophenyl)-5-(1...)
Show SMILES CC(C)c1onc(c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C28H22Cl3NO4/c1-16(2)27-21(26(32-36-27)25-22(29)7-4-8-23(25)30)15-35-20-12-11-18(24(31)14-20)10-9-17-5-3-6-19(13-17)28(33)34/h3-14,16H,15H2,1-2H3,(H,33,34)/b10-9+
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n/an/an/an/a 30n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at human full length FXR transfected in HEK293 cells coexpressing pTRexDest/pGL2promotor assessed as luciferase activity by direct r...


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50323533
PNG
(4-(((6-((5-cyclopropyl-3-(2,6-dichlorophenyl)isoxa...)
Show SMILES CN(Cc1ccc(cc1)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)nc1C(F)(F)F
Show InChI InChI=1S/C28H22Cl2F3N3O4/c1-36(13-15-5-7-17(8-6-15)27(37)38)21-11-12-22(34-26(21)28(31,32)33)39-14-18-24(35-40-25(18)16-9-10-16)23-19(29)3-2-4-20(23)30/h2-8,11-12,16H,9-10,13-14H2,1H3,(H,37,38)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at ERbeta-LBD expressed in HEK293 cells assessed as Gal4-DBD interaction by cellular mammalian one hybrid assay


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50323533
PNG
(4-(((6-((5-cyclopropyl-3-(2,6-dichlorophenyl)isoxa...)
Show SMILES CN(Cc1ccc(cc1)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)nc1C(F)(F)F
Show InChI InChI=1S/C28H22Cl2F3N3O4/c1-36(13-15-5-7-17(8-6-15)27(37)38)21-11-12-22(34-26(21)28(31,32)33)39-14-18-24(35-40-25(18)16-9-10-16)23-19(29)3-2-4-20(23)30/h2-8,11-12,16H,9-10,13-14H2,1H3,(H,37,38)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at PPARalpha-LBD expressed in HEK293 cells assessed as Gal4-DBD interaction by cellular mammalian one hybrid assay


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50323540
PNG
(2-((6-((5-cyclopropyl-3-(2,6-dichlorophenyl)isoxaz...)
Show SMILES OC(=O)c1ccccc1OCc1ccc(OCc2c(noc2C2CC2)-c2c(Cl)cccc2Cl)nc1C(F)(F)F
Show InChI InChI=1S/C27H19Cl2F3N2O5/c28-18-5-3-6-19(29)22(18)23-17(24(39-34-23)14-8-9-14)13-38-21-11-10-15(25(33-21)27(30,31)32)12-37-20-7-2-1-4-16(20)26(35)36/h1-7,10-11,14H,8-9,12-13H2,(H,35,36)
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n/an/an/an/a 611n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at human full length FXR transfected in HEK293 cells coexpressing pTRexDest/pGL2promotor assessed as luciferase activity by direct r...


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50323542
PNG
(4-((6-((5-cyclopropyl-3-(2,6-dichlorophenyl)isoxaz...)
Show SMILES OC(=O)c1ccc(OCc2ccc(OCc3c(noc3C3CC3)-c3c(Cl)cccc3Cl)nc2C(F)(F)F)cc1
Show InChI InChI=1S/C27H19Cl2F3N2O5/c28-19-2-1-3-20(29)22(19)23-18(24(39-34-23)14-4-5-14)13-38-21-11-8-16(25(33-21)27(30,31)32)12-37-17-9-6-15(7-10-17)26(35)36/h1-3,6-11,14H,4-5,12-13H2,(H,35,36)
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n/an/an/an/a 95n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at human GST-fused FXR LBD expressed in HEK293 cells coexpressing GAL4-DNA bindig domain and pFRluc by mammalian one-hybrid assay


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50323531
PNG
(3-(((6-((3-(2,6-dichlorophenyl)-5-isopropylisoxazo...)
Show SMILES CC(C)c1onc(c1COc1ccc(N(C)Cc2cccc(c2)C(=O)NS(C)(=O)=O)c(n1)C(F)(F)F)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C29H27Cl2F3N4O5S/c1-16(2)26-19(25(36-43-26)24-20(30)9-6-10-21(24)31)15-42-23-12-11-22(27(35-23)29(32,33)34)38(3)14-17-7-5-8-18(13-17)28(39)37-44(4,40)41/h5-13,16H,14-15H2,1-4H3,(H,37,39)
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n/an/an/an/a 20n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at human full length FXR transfected in HEK293 cells coexpressing pTRexDest/pGL2promotor assessed as luciferase activity by direct r...


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50323539
PNG
(4-((1-(6-((5-cyclopropyl-3-(2,6-dichlorophenyl)iso...)
Show SMILES CC(N(C)c1ccc(cc1)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)nc1C(F)(F)F
Show InChI InChI=1S/C29H24Cl2F3N3O4/c1-15(37(2)18-10-8-17(9-11-18)28(38)39)19-12-13-23(35-27(19)29(32,33)34)40-14-20-25(36-41-26(20)16-6-7-16)24-21(30)4-3-5-22(24)31/h3-5,8-13,15-16H,6-7,14H2,1-2H3,(H,38,39)
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n/an/an/an/a 208n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at human GST-fused FXR LBD expressed in HEK293 cells coexpressing GAL4-DNA bindig domain and pFRluc by mammalian one-hybrid assay


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50323519
PNG
(4-((6-((3-(2,6-dichlorophenyl)-5-isopropylisoxazol...)
Show SMILES CC(C)c1onc(c1COc1ccc(N(C)C(=O)c2ccc(cc2)C(O)=O)c(C)n1)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C28H25Cl2N3O5/c1-15(2)26-19(25(32-38-26)24-20(29)6-5-7-21(24)30)14-37-23-13-12-22(16(3)31-23)33(4)27(34)17-8-10-18(11-9-17)28(35)36/h5-13,15H,14H2,1-4H3,(H,35,36)
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n/an/an/an/a 365n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at human GST-fused FXR LBD assessed as cofactor peptide interaction with receptor ligand binding domain by FRET assay


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50323523
PNG
(4-((6-((3-(2,6-dichlorophenyl)-5-isopropylisoxazol...)
Show SMILES CC(C)c1onc(c1COc1ccc(NCc2ccc(cc2)C(O)=O)c(n1)C(F)(F)F)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C27H22Cl2F3N3O4/c1-14(2)24-17(23(35-39-24)22-18(28)4-3-5-19(22)29)13-38-21-11-10-20(25(34-21)27(30,31)32)33-12-15-6-8-16(9-7-15)26(36)37/h3-11,14,33H,12-13H2,1-2H3,(H,36,37)
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n/an/an/an/a 162n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at human GST-fused FXR LBD assessed as cofactor peptide interaction with receptor ligand binding domain by FRET assay


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50323543
PNG
(3-(1-(6-((5-cyclopropyl-3-(2,6-dichlorophenyl)isox...)
Show SMILES CC(Oc1cccc(c1)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)nc1C(F)(F)F
Show InChI InChI=1S/C28H21Cl2F3N2O5/c1-14(39-17-5-2-4-16(12-17)27(36)37)18-10-11-22(34-26(18)28(31,32)33)38-13-19-24(35-40-25(19)15-8-9-15)23-20(29)6-3-7-21(23)30/h2-7,10-12,14-15H,8-9,13H2,1H3,(H,36,37)
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n/an/an/an/a 155n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at human GST-fused FXR LBD assessed as cofactor peptide interaction with receptor ligand binding domain by FRET assay


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50323534
PNG
(2-(4-(((6-((5-cyclopropyl-3-(2,6-dichlorophenyl)is...)
Show SMILES CN(Cc1ccc(cc1)C(=O)NCCS(O)(=O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)nc1C(F)(F)F
Show InChI InChI=1S/C30H27Cl2F3N4O6S/c1-39(15-17-5-7-19(8-6-17)29(40)36-13-14-46(41,42)43)23-11-12-24(37-28(23)30(33,34)35)44-16-20-26(38-45-27(20)18-9-10-18)25-21(31)3-2-4-22(25)32/h2-8,11-12,18H,9-10,13-16H2,1H3,(H,36,40)(H,41,42,43)
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Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at human GST-fused FXR LBD expressed in HEK293 cells coexpressing GAL4-DNA bindig domain and pFRluc by mammalian one-hybrid assay


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50323545
PNG
(3-(2,6-dichlorophenyl)-5-isopropyl-4-((6-methyl-4-...)
Show SMILES CC(C)c1onc(c1COc1cc(cc(C)n1)C(F)(F)F)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C20H17Cl2F3N2O2/c1-10(2)19-13(18(27-29-19)17-14(21)5-4-6-15(17)22)9-28-16-8-12(20(23,24)25)7-11(3)26-16/h4-8,10H,9H2,1-3H3
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n/an/an/an/a 225n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at human GST-fused FXR LBD expressed in HEK293 cells coexpressing GAL4-DNA bindig domain and pFRluc by mammalian one-hybrid assay


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50323530
PNG
(3-(((6-((5-cyclopropyl-3-(2,6-dichlorophenyl)isoxa...)
Show SMILES CN(Cc1cccc(c1)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)nc1C(F)(F)F
Show InChI InChI=1S/C28H22Cl2F3N3O4/c1-36(13-15-4-2-5-17(12-15)27(37)38)21-10-11-22(34-26(21)28(31,32)33)39-14-18-24(35-40-25(18)16-8-9-16)23-19(29)6-3-7-20(23)30/h2-7,10-12,16H,8-9,13-14H2,1H3,(H,37,38)
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Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at GR-LBD expressed in HEK293 cells assessed as Gal4-DBD interaction by cellular mammalian one hybrid assay


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Mineralocorticoid receptor (MR)


(Homo sapiens (Human))
BDBM50323530
PNG
(3-(((6-((5-cyclopropyl-3-(2,6-dichlorophenyl)isoxa...)
Show SMILES CN(Cc1cccc(c1)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)nc1C(F)(F)F
Show InChI InChI=1S/C28H22Cl2F3N3O4/c1-36(13-15-4-2-5-17(12-15)27(37)38)21-10-11-22(34-26(21)28(31,32)33)39-14-18-24(35-40-25(18)16-8-9-16)23-19(29)6-3-7-20(23)30/h2-7,10-12,16H,8-9,13-14H2,1H3,(H,37,38)
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Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at mineralocorticoid receptor-LBD expressed in HEK293 cells assessed as Gal4-DBD interaction by cellular mammalian one hybrid assay


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens)
BDBM50323524
PNG
(4-(((6-((3-(2,6-dichlorophenyl)-5-isopropylisoxazo...)
Show SMILES CC(C)c1onc(c1COc1ccc(N(C)Cc2ccc(cc2)C(O)=O)c(n1)C(F)(F)F)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C28H24Cl2F3N3O4/c1-15(2)25-18(24(35-40-25)23-19(29)5-4-6-20(23)30)14-39-22-12-11-21(26(34-22)28(31,32)33)36(3)13-16-7-9-17(10-8-16)27(37)38/h4-12,15H,13-14H2,1-3H3,(H,37,38)
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Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at RXRalpha-LBD expressed in HEK293 cells assessed as Gal4-DBD interaction by cellular mammalian one hybrid assay


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens)
BDBM50323530
PNG
(3-(((6-((5-cyclopropyl-3-(2,6-dichlorophenyl)isoxa...)
Show SMILES CN(Cc1cccc(c1)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)nc1C(F)(F)F
Show InChI InChI=1S/C28H22Cl2F3N3O4/c1-36(13-15-4-2-5-17(12-15)27(37)38)21-10-11-22(34-26(21)28(31,32)33)39-14-18-24(35-40-25(18)16-8-9-16)23-19(29)6-3-7-20(23)30/h2-7,10-12,16H,8-9,13-14H2,1H3,(H,37,38)
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Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at RXRalpha-LBD expressed in HEK293 cells assessed as Gal4-DBD interaction by cellular mammalian one hybrid assay


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens)
BDBM50323530
PNG
(3-(((6-((5-cyclopropyl-3-(2,6-dichlorophenyl)isoxa...)
Show SMILES CN(Cc1cccc(c1)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)nc1C(F)(F)F
Show InChI InChI=1S/C28H22Cl2F3N3O4/c1-36(13-15-4-2-5-17(12-15)27(37)38)21-10-11-22(34-26(21)28(31,32)33)39-14-18-24(35-40-25(18)16-8-9-16)23-19(29)6-3-7-20(23)30/h2-7,10-12,16H,8-9,13-14H2,1H3,(H,37,38)
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Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at RARgamma-LBD expressed in HEK293 cells assessed as Gal4-DBD interaction by cellular mammalian one hybrid assay


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50323533
PNG
(4-(((6-((5-cyclopropyl-3-(2,6-dichlorophenyl)isoxa...)
Show SMILES CN(Cc1ccc(cc1)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)nc1C(F)(F)F
Show InChI InChI=1S/C28H22Cl2F3N3O4/c1-36(13-15-5-7-17(8-6-15)27(37)38)21-11-12-22(34-26(21)28(31,32)33)39-14-18-24(35-40-25(18)16-9-10-16)23-19(29)3-2-4-20(23)30/h2-8,11-12,16H,9-10,13-14H2,1H3,(H,37,38)
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Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at LXRbeta-LBD expressed in HEK293 cells assessed as Gal4-DBD interaction by cellular mammalian one hybrid assay


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50323532
PNG
(2-(3-(((6-((3-(2,6-dichlorophenyl)-5-isopropylisox...)
Show SMILES CC(C)c1onc(c1COc1ccc(N(C)Cc2cccc(c2)C(=O)NCCOP(O)(O)=O)c(n1)C(F)(F)F)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C30H30Cl2F3N4O7P/c1-17(2)27-20(26(38-46-27)25-21(31)8-5-9-22(25)32)16-44-24-11-10-23(28(37-24)30(33,34)35)39(3)15-18-6-4-7-19(14-18)29(40)36-12-13-45-47(41,42)43/h4-11,14,17H,12-13,15-16H2,1-3H3,(H,36,40)(H2,41,42,43)
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n/an/an/an/a 457n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at human GST-fused FXR LBD expressed in HEK293 cells coexpressing GAL4-DNA bindig domain and pFRluc by mammalian one-hybrid assay


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50323531
PNG
(3-(((6-((3-(2,6-dichlorophenyl)-5-isopropylisoxazo...)
Show SMILES CC(C)c1onc(c1COc1ccc(N(C)Cc2cccc(c2)C(=O)NS(C)(=O)=O)c(n1)C(F)(F)F)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C29H27Cl2F3N4O5S/c1-16(2)26-19(25(36-43-26)24-20(30)9-6-10-21(24)31)15-42-23-12-11-22(27(35-23)29(32,33)34)38(3)14-17-7-5-8-18(13-17)28(39)37-44(4,40)41/h5-13,16H,14-15H2,1-4H3,(H,37,39)
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n/an/an/an/a 279n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at human GST-fused FXR LBD expressed in HEK293 cells coexpressing GAL4-DNA bindig domain and pFRluc by mammalian one-hybrid assay


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50323541
PNG
(3-((6-((5-cyclopropyl-3-(2,6-dichlorophenyl)isoxaz...)
Show SMILES OC(=O)c1cccc(OCc2ccc(OCc3c(noc3C3CC3)-c3c(Cl)cccc3Cl)nc2C(F)(F)F)c1
Show InChI InChI=1S/C27H19Cl2F3N2O5/c28-19-5-2-6-20(29)22(19)23-18(24(39-34-23)14-7-8-14)13-38-21-10-9-16(25(33-21)27(30,31)32)12-37-17-4-1-3-15(11-17)26(35)36/h1-6,9-11,14H,7-8,12-13H2,(H,35,36)
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n/an/an/an/a 43n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at human GST-fused FXR LBD assessed as cofactor peptide interaction with receptor ligand binding domain by FRET assay


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50323528
PNG
(2-(4-(((6-((3-(2,6-dichlorophenyl)-5-isopropylisox...)
Show SMILES CC(C)c1onc(c1COc1ccc(N(C)Cc2ccc(OCC(O)=O)cc2)c(n1)C(F)(F)F)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C29H26Cl2F3N3O5/c1-16(2)27-19(26(36-42-27)25-20(30)5-4-6-21(25)31)14-41-23-12-11-22(28(35-23)29(32,33)34)37(3)13-17-7-9-18(10-8-17)40-15-24(38)39/h4-12,16H,13-15H2,1-3H3,(H,38,39)
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n/an/an/an/a 35n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at human GST-fused FXR LBD assessed as cofactor peptide interaction with receptor ligand binding domain by FRET assay


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50323528
PNG
(2-(4-(((6-((3-(2,6-dichlorophenyl)-5-isopropylisox...)
Show SMILES CC(C)c1onc(c1COc1ccc(N(C)Cc2ccc(OCC(O)=O)cc2)c(n1)C(F)(F)F)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C29H26Cl2F3N3O5/c1-16(2)27-19(26(36-42-27)25-20(30)5-4-6-21(25)31)14-41-23-12-11-22(28(35-23)29(32,33)34)37(3)13-17-7-9-18(10-8-17)40-15-24(38)39/h4-12,16H,13-15H2,1-3H3,(H,38,39)
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Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at human GST-fused FXR LBD expressed in HEK293 cells coexpressing GAL4-DNA bindig domain and pFRluc by mammalian one-hybrid assay


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50323543
PNG
(3-(1-(6-((5-cyclopropyl-3-(2,6-dichlorophenyl)isox...)
Show SMILES CC(Oc1cccc(c1)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)nc1C(F)(F)F
Show InChI InChI=1S/C28H21Cl2F3N2O5/c1-14(39-17-5-2-4-16(12-17)27(36)37)18-10-11-22(34-26(18)28(31,32)33)38-13-19-24(35-40-25(19)15-8-9-15)23-20(29)6-3-7-21(23)30/h2-7,10-12,14-15H,8-9,13H2,1H3,(H,36,37)
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n/an/an/an/a 58n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at human full length FXR transfected in HEK293 cells coexpressing pTRexDest/pGL2promotor assessed as luciferase activity by direct r...


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50323531
PNG
(3-(((6-((3-(2,6-dichlorophenyl)-5-isopropylisoxazo...)
Show SMILES CC(C)c1onc(c1COc1ccc(N(C)Cc2cccc(c2)C(=O)NS(C)(=O)=O)c(n1)C(F)(F)F)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C29H27Cl2F3N4O5S/c1-16(2)26-19(25(36-43-26)24-20(30)9-6-10-21(24)31)15-42-23-12-11-22(27(35-23)29(32,33)34)38(3)14-17-7-5-8-18(13-17)28(39)37-44(4,40)41/h5-13,16H,14-15H2,1-4H3,(H,37,39)
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Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at human GST-fused FXR LBD expressed in HEK293 cells coexpressing GAL4-DNA bindig domain and pFRluc by mammalian one-hybrid assay


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50323533
PNG
(4-(((6-((5-cyclopropyl-3-(2,6-dichlorophenyl)isoxa...)
Show SMILES CN(Cc1ccc(cc1)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)nc1C(F)(F)F
Show InChI InChI=1S/C28H22Cl2F3N3O4/c1-36(13-15-5-7-17(8-6-15)27(37)38)21-11-12-22(34-26(21)28(31,32)33)39-14-18-24(35-40-25(18)16-9-10-16)23-19(29)3-2-4-20(23)30/h2-8,11-12,16H,9-10,13-14H2,1H3,(H,37,38)
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n/an/an/an/a 12n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at human GST-fused FXR LBD expressed in HEK293 cells coexpressing GAL4-DNA bindig domain and pFRluc by mammalian one-hybrid assay


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50323533
PNG
(4-(((6-((5-cyclopropyl-3-(2,6-dichlorophenyl)isoxa...)
Show SMILES CN(Cc1ccc(cc1)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)nc1C(F)(F)F
Show InChI InChI=1S/C28H22Cl2F3N3O4/c1-36(13-15-5-7-17(8-6-15)27(37)38)21-11-12-22(34-26(21)28(31,32)33)39-14-18-24(35-40-25(18)16-9-10-16)23-19(29)3-2-4-20(23)30/h2-8,11-12,16H,9-10,13-14H2,1H3,(H,37,38)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at ERalpha-LBD expressed in HEK293 cells assessed as Gal4-DBD interaction by cellular mammalian one hybrid assay


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50323524
PNG
(4-(((6-((3-(2,6-dichlorophenyl)-5-isopropylisoxazo...)
Show SMILES CC(C)c1onc(c1COc1ccc(N(C)Cc2ccc(cc2)C(O)=O)c(n1)C(F)(F)F)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C28H24Cl2F3N3O4/c1-15(2)25-18(24(35-40-25)23-19(29)5-4-6-20(23)30)14-39-22-12-11-21(26(34-22)28(31,32)33)36(3)13-16-7-9-17(10-8-16)27(37)38/h4-12,15H,13-14H2,1-3H3,(H,37,38)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at GR-LBD expressed in HEK293 cells assessed as Gal4-DBD interaction by cellular mammalian one hybrid assay


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM50323533
PNG
(4-(((6-((5-cyclopropyl-3-(2,6-dichlorophenyl)isoxa...)
Show SMILES CN(Cc1ccc(cc1)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)nc1C(F)(F)F
Show InChI InChI=1S/C28H22Cl2F3N3O4/c1-36(13-15-5-7-17(8-6-15)27(37)38)21-11-12-22(34-26(21)28(31,32)33)39-14-18-24(35-40-25(18)16-9-10-16)23-19(29)3-2-4-20(23)30/h2-8,11-12,16H,9-10,13-14H2,1H3,(H,37,38)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at LXRalpha-LBD expressed in HEK293 cells assessed as Gal4-DBD interaction by cellular mammalian one hybrid assay


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens)
BDBM50323533
PNG
(4-(((6-((5-cyclopropyl-3-(2,6-dichlorophenyl)isoxa...)
Show SMILES CN(Cc1ccc(cc1)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)nc1C(F)(F)F
Show InChI InChI=1S/C28H22Cl2F3N3O4/c1-36(13-15-5-7-17(8-6-15)27(37)38)21-11-12-22(34-26(21)28(31,32)33)39-14-18-24(35-40-25(18)16-9-10-16)23-19(29)3-2-4-20(23)30/h2-8,11-12,16H,9-10,13-14H2,1H3,(H,37,38)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at RARbeta-LBD expressed in HEK293 cells assessed as Gal4-DBD interaction by cellular mammalian one hybrid assay


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens)
BDBM50323533
PNG
(4-(((6-((5-cyclopropyl-3-(2,6-dichlorophenyl)isoxa...)
Show SMILES CN(Cc1ccc(cc1)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)nc1C(F)(F)F
Show InChI InChI=1S/C28H22Cl2F3N3O4/c1-36(13-15-5-7-17(8-6-15)27(37)38)21-11-12-22(34-26(21)28(31,32)33)39-14-18-24(35-40-25(18)16-9-10-16)23-19(29)3-2-4-20(23)30/h2-8,11-12,16H,9-10,13-14H2,1H3,(H,37,38)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at RARgamma-LBD expressed in HEK293 cells assessed as Gal4-DBD interaction by cellular mammalian one hybrid assay


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 3


(Homo sapiens)
BDBM50323533
PNG
(4-(((6-((5-cyclopropyl-3-(2,6-dichlorophenyl)isoxa...)
Show SMILES CN(Cc1ccc(cc1)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)nc1C(F)(F)F
Show InChI InChI=1S/C28H22Cl2F3N3O4/c1-36(13-15-5-7-17(8-6-15)27(37)38)21-11-12-22(34-26(21)28(31,32)33)39-14-18-24(35-40-25(18)16-9-10-16)23-19(29)3-2-4-20(23)30/h2-8,11-12,16H,9-10,13-14H2,1H3,(H,37,38)
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Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at CAR-LBD expressed in HEK293 cells assessed as Gal4-DBD interaction by cellular mammalian one hybrid assay


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50323518
PNG
(4-(6-((3-(2,6-dichlorophenyl)-5-isopropylisoxazol-...)
Show SMILES CC(C)c1onc(c1COc1ccc(NC(=O)c2ccc(cc2)C(O)=O)c(n1)C(F)(F)F)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C27H20Cl2F3N3O5/c1-13(2)23-16(22(35-40-23)21-17(28)4-3-5-18(21)29)12-39-20-11-10-19(24(34-20)27(30,31)32)33-25(36)14-6-8-15(9-7-14)26(37)38/h3-11,13H,12H2,1-2H3,(H,33,36)(H,37,38)
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n/an/an/an/a 474n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at human GST-fused FXR LBD expressed in HEK293 cells coexpressing GAL4-DNA bindig domain and pFRluc by mammalian one-hybrid assay


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50323530
PNG
(3-(((6-((5-cyclopropyl-3-(2,6-dichlorophenyl)isoxa...)
Show SMILES CN(Cc1cccc(c1)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)nc1C(F)(F)F
Show InChI InChI=1S/C28H22Cl2F3N3O4/c1-36(13-15-4-2-5-17(12-15)27(37)38)21-10-11-22(34-26(21)28(31,32)33)39-14-18-24(35-40-25(18)16-8-9-16)23-19(29)6-3-7-20(23)30/h2-7,10-12,16H,8-9,13-14H2,1H3,(H,37,38)
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n/an/an/an/a 9n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at human GST-fused FXR LBD expressed in HEK293 cells coexpressing GAL4-DNA bindig domain and pFRluc by mammalian one-hybrid assay


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50323534
PNG
(2-(4-(((6-((5-cyclopropyl-3-(2,6-dichlorophenyl)is...)
Show SMILES CN(Cc1ccc(cc1)C(=O)NCCS(O)(=O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)nc1C(F)(F)F
Show InChI InChI=1S/C30H27Cl2F3N4O6S/c1-39(15-17-5-7-19(8-6-17)29(40)36-13-14-46(41,42)43)23-11-12-24(37-28(23)30(33,34)35)44-16-20-26(38-45-27(20)18-9-10-18)25-21(31)3-2-4-22(25)32/h2-8,11-12,18H,9-10,13-16H2,1H3,(H,36,40)(H,41,42,43)
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n/an/an/an/a 1.42E+3n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at human GST-fused FXR LBD expressed in HEK293 cells coexpressing GAL4-DNA bindig domain and pFRluc by mammalian one-hybrid assay


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM21724
PNG
(3-[(E)-2-(2-chloro-4-{[3-(2,6-dichlorophenyl)-5-(1...)
Show SMILES CC(C)c1onc(c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C28H22Cl3NO4/c1-16(2)27-21(26(32-36-27)25-22(29)7-4-8-23(25)30)15-35-20-12-11-18(24(31)14-20)10-9-17-5-3-6-19(13-17)28(33)34/h3-14,16H,15H2,1-2H3,(H,33,34)/b10-9+
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n/an/an/an/a 20n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at human GST-fused FXR LBD assessed as cofactor peptide interaction with receptor ligand binding domain by FRET assay


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50323518
PNG
(4-(6-((3-(2,6-dichlorophenyl)-5-isopropylisoxazol-...)
Show SMILES CC(C)c1onc(c1COc1ccc(NC(=O)c2ccc(cc2)C(O)=O)c(n1)C(F)(F)F)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C27H20Cl2F3N3O5/c1-13(2)23-16(22(35-40-23)21-17(28)4-3-5-18(21)29)12-39-20-11-10-19(24(34-20)27(30,31)32)33-25(36)14-6-8-15(9-7-14)26(37)38/h3-11,13H,12H2,1-2H3,(H,33,36)(H,37,38)
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n/an/an/an/a 452n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at human GST-fused FXR LBD assessed as cofactor peptide interaction with receptor ligand binding domain by FRET assay


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50323523
PNG
(4-((6-((3-(2,6-dichlorophenyl)-5-isopropylisoxazol...)
Show SMILES CC(C)c1onc(c1COc1ccc(NCc2ccc(cc2)C(O)=O)c(n1)C(F)(F)F)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C27H22Cl2F3N3O4/c1-14(2)24-17(23(35-39-24)22-18(28)4-3-5-19(22)29)13-38-21-11-10-20(25(34-21)27(30,31)32)33-12-15-6-8-16(9-7-15)26(36)37/h3-11,14,33H,12-13H2,1-2H3,(H,36,37)
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n/an/an/an/a 398n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at human GST-fused FXR LBD expressed in HEK293 cells coexpressing GAL4-DNA bindig domain and pFRluc by mammalian one-hybrid assay


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50323527
PNG
(4-(((6-((3-(2,6-dichlorophenyl)-5-isopropylisoxazo...)
Show SMILES CC(C)c1onc(c1COc1ccc(N(C)Cc2ccc(cc2)C(=O)NS(C)(=O)=O)c(n1)C(F)(F)F)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C29H27Cl2F3N4O5S/c1-16(2)26-19(25(36-43-26)24-20(30)6-5-7-21(24)31)15-42-23-13-12-22(27(35-23)29(32,33)34)38(3)14-17-8-10-18(11-9-17)28(39)37-44(4,40)41/h5-13,16H,14-15H2,1-4H3,(H,37,39)
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n/an/an/an/a 221n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at human GST-fused FXR LBD expressed in HEK293 cells coexpressing GAL4-DNA bindig domain and pFRluc by mammalian one-hybrid assay


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50323544
PNG
(4-(1-(6-((5-cyclopropyl-3-(2,6-dichlorophenyl)isox...)
Show SMILES CC(Oc1ccc(cc1)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)nc1C(F)(F)F
Show InChI InChI=1S/C28H21Cl2F3N2O5/c1-14(39-17-9-7-16(8-10-17)27(36)37)18-11-12-22(34-26(18)28(31,32)33)38-13-19-24(35-40-25(19)15-5-6-15)23-20(29)3-2-4-21(23)30/h2-4,7-12,14-15H,5-6,13H2,1H3,(H,36,37)
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n/an/an/an/a 352n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at human GST-fused FXR LBD assessed as cofactor peptide interaction with receptor ligand binding domain by FRET assay


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50323541
PNG
(3-((6-((5-cyclopropyl-3-(2,6-dichlorophenyl)isoxaz...)
Show SMILES OC(=O)c1cccc(OCc2ccc(OCc3c(noc3C3CC3)-c3c(Cl)cccc3Cl)nc2C(F)(F)F)c1
Show InChI InChI=1S/C27H19Cl2F3N2O5/c28-19-5-2-6-20(29)22(19)23-18(24(39-34-23)14-7-8-14)13-38-21-10-9-16(25(33-21)27(30,31)32)12-37-17-4-1-3-15(11-17)26(35)36/h1-6,9-11,14H,7-8,12-13H2,(H,35,36)
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n/an/an/an/a 151n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at human GST-fused FXR LBD expressed in HEK293 cells coexpressing GAL4-DNA bindig domain and pFRluc by mammalian one-hybrid assay


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50323523
PNG
(4-((6-((3-(2,6-dichlorophenyl)-5-isopropylisoxazol...)
Show SMILES CC(C)c1onc(c1COc1ccc(NCc2ccc(cc2)C(O)=O)c(n1)C(F)(F)F)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C27H22Cl2F3N3O4/c1-14(2)24-17(23(35-39-24)22-18(28)4-3-5-19(22)29)13-38-21-11-10-20(25(34-21)27(30,31)32)33-12-15-6-8-16(9-7-15)26(36)37/h3-11,14,33H,12-13H2,1-2H3,(H,36,37)
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n/an/an/an/a 101n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at human full length FXR transfected in HEK293 cells coexpressing pTRexDest/pGL2promotor assessed as luciferase activity by direct r...


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50323526
PNG
(3-(((6-((3-(2,6-dichlorophenyl)-5-isopropylisoxazo...)
Show SMILES CC(C)c1onc(c1COc1ccc(N(C)Cc2cccc(c2)C(O)=O)c(n1)C(F)(F)F)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C28H24Cl2F3N3O4/c1-15(2)25-18(24(35-40-25)23-19(29)8-5-9-20(23)30)14-39-22-11-10-21(26(34-22)28(31,32)33)36(3)13-16-6-4-7-17(12-16)27(37)38/h4-12,15H,13-14H2,1-3H3,(H,37,38)
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n/an/an/an/a 6n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at human full length FXR transfected in HEK293 cells coexpressing pTRexDest/pGL2promotor assessed as luciferase activity by direct r...


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50323528
PNG
(2-(4-(((6-((3-(2,6-dichlorophenyl)-5-isopropylisox...)
Show SMILES CC(C)c1onc(c1COc1ccc(N(C)Cc2ccc(OCC(O)=O)cc2)c(n1)C(F)(F)F)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C29H26Cl2F3N3O5/c1-16(2)27-19(26(36-42-27)25-20(30)5-4-6-21(25)31)14-41-23-12-11-22(28(35-23)29(32,33)34)37(3)13-17-7-9-18(10-8-17)40-15-24(38)39/h4-12,16H,13-15H2,1-3H3,(H,38,39)
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n/an/an/an/a 19n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at human full length FXR transfected in HEK293 cells coexpressing pTRexDest/pGL2promotor assessed as luciferase activity by direct r...


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50323544
PNG
(4-(1-(6-((5-cyclopropyl-3-(2,6-dichlorophenyl)isox...)
Show SMILES CC(Oc1ccc(cc1)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)nc1C(F)(F)F
Show InChI InChI=1S/C28H21Cl2F3N2O5/c1-14(39-17-9-7-16(8-10-17)27(36)37)18-11-12-22(34-26(18)28(31,32)33)38-13-19-24(35-40-25(19)15-5-6-15)23-20(29)3-2-4-21(23)30/h2-4,7-12,14-15H,5-6,13H2,1H3,(H,36,37)
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n/an/an/an/a 611n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at human full length FXR transfected in HEK293 cells coexpressing pTRexDest/pGL2promotor assessed as luciferase activity by direct r...


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50323538
PNG
(4-(1-(6-((5-cyclopropyl-3-(2,6-dichlorophenyl)isox...)
Show SMILES CC(Nc1ccc(cc1)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)nc1C(F)(F)F
Show InChI InChI=1S/C28H22Cl2F3N3O4/c1-14(34-17-9-7-16(8-10-17)27(37)38)18-11-12-22(35-26(18)28(31,32)33)39-13-19-24(36-40-25(19)15-5-6-15)23-20(29)3-2-4-21(23)30/h2-4,7-12,14-15,34H,5-6,13H2,1H3,(H,37,38)
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n/an/an/an/a 101n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at human GST-fused FXR LBD expressed in HEK293 cells coexpressing GAL4-DNA bindig domain and pFRluc by mammalian one-hybrid assay


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Mineralocorticoid receptor (MR)


(Homo sapiens (Human))
BDBM50323533
PNG
(4-(((6-((5-cyclopropyl-3-(2,6-dichlorophenyl)isoxa...)
Show SMILES CN(Cc1ccc(cc1)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)nc1C(F)(F)F
Show InChI InChI=1S/C28H22Cl2F3N3O4/c1-36(13-15-5-7-17(8-6-15)27(37)38)21-11-12-22(34-26(21)28(31,32)33)39-14-18-24(35-40-25(18)16-9-10-16)23-19(29)3-2-4-20(23)30/h2-8,11-12,16H,9-10,13-14H2,1H3,(H,37,38)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at mineralocorticoid receptor-LBD expressed in HEK293 cells assessed as Gal4-DBD interaction by cellular mammalian one hybrid assay


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50323530
PNG
(3-(((6-((5-cyclopropyl-3-(2,6-dichlorophenyl)isoxa...)
Show SMILES CN(Cc1cccc(c1)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)nc1C(F)(F)F
Show InChI InChI=1S/C28H22Cl2F3N3O4/c1-36(13-15-4-2-5-17(12-15)27(37)38)21-10-11-22(34-26(21)28(31,32)33)39-14-18-24(35-40-25(18)16-8-9-16)23-19(29)6-3-7-20(23)30/h2-7,10-12,16H,8-9,13-14H2,1H3,(H,37,38)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at androgen receptor-LBD expressed in HEK293 cells assessed as Gal4-DBD interaction by cellular mammalian one hybrid assay


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50323533
PNG
(4-(((6-((5-cyclopropyl-3-(2,6-dichlorophenyl)isoxa...)
Show SMILES CN(Cc1ccc(cc1)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)nc1C(F)(F)F
Show InChI InChI=1S/C28H22Cl2F3N3O4/c1-36(13-15-5-7-17(8-6-15)27(37)38)21-11-12-22(34-26(21)28(31,32)33)39-14-18-24(35-40-25(18)16-9-10-16)23-19(29)3-2-4-20(23)30/h2-8,11-12,16H,9-10,13-14H2,1H3,(H,37,38)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at androgen receptor-LBD expressed in HEK293 cells assessed as Gal4-DBD interaction by cellular mammalian one hybrid assay


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50323524
PNG
(4-(((6-((3-(2,6-dichlorophenyl)-5-isopropylisoxazo...)
Show SMILES CC(C)c1onc(c1COc1ccc(N(C)Cc2ccc(cc2)C(O)=O)c(n1)C(F)(F)F)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C28H24Cl2F3N3O4/c1-15(2)25-18(24(35-40-25)23-19(29)5-4-6-20(23)30)14-39-22-12-11-21(26(34-22)28(31,32)33)36(3)13-16-7-9-17(10-8-16)27(37)38/h4-12,15H,13-14H2,1-3H3,(H,37,38)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at progesterone receptor-LBD expressed in HEK293 cells assessed as Gal4-DBD interaction by cellular mammalian one hybrid assay


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50323530
PNG
(3-(((6-((5-cyclopropyl-3-(2,6-dichlorophenyl)isoxa...)
Show SMILES CN(Cc1cccc(c1)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)nc1C(F)(F)F
Show InChI InChI=1S/C28H22Cl2F3N3O4/c1-36(13-15-4-2-5-17(12-15)27(37)38)21-10-11-22(34-26(21)28(31,32)33)39-14-18-24(35-40-25(18)16-8-9-16)23-19(29)6-3-7-20(23)30/h2-7,10-12,16H,8-9,13-14H2,1H3,(H,37,38)
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Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at progesterone receptor-LBD expressed in HEK293 cells assessed as Gal4-DBD interaction by cellular mammalian one hybrid assay


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50323530
PNG
(3-(((6-((5-cyclopropyl-3-(2,6-dichlorophenyl)isoxa...)
Show SMILES CN(Cc1cccc(c1)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)nc1C(F)(F)F
Show InChI InChI=1S/C28H22Cl2F3N3O4/c1-36(13-15-4-2-5-17(12-15)27(37)38)21-10-11-22(34-26(21)28(31,32)33)39-14-18-24(35-40-25(18)16-8-9-16)23-19(29)6-3-7-20(23)30/h2-7,10-12,16H,8-9,13-14H2,1H3,(H,37,38)
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n/an/an/an/a 1.45E+6n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at PPARgamma-LBD expressed in HEK293 cells assessed as Gal4-DBD interaction by cellular mammalian one hybrid assay


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50323533
PNG
(4-(((6-((5-cyclopropyl-3-(2,6-dichlorophenyl)isoxa...)
Show SMILES CN(Cc1ccc(cc1)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)nc1C(F)(F)F
Show InChI InChI=1S/C28H22Cl2F3N3O4/c1-36(13-15-5-7-17(8-6-15)27(37)38)21-11-12-22(34-26(21)28(31,32)33)39-14-18-24(35-40-25(18)16-9-10-16)23-19(29)3-2-4-20(23)30/h2-8,11-12,16H,9-10,13-14H2,1H3,(H,37,38)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at PPARgamma-LBD expressed in HEK293 cells assessed as Gal4-DBD interaction by cellular mammalian one hybrid assay


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens)
BDBM50323533
PNG
(4-(((6-((5-cyclopropyl-3-(2,6-dichlorophenyl)isoxa...)
Show SMILES CN(Cc1ccc(cc1)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)nc1C(F)(F)F
Show InChI InChI=1S/C28H22Cl2F3N3O4/c1-36(13-15-5-7-17(8-6-15)27(37)38)21-11-12-22(34-26(21)28(31,32)33)39-14-18-24(35-40-25(18)16-9-10-16)23-19(29)3-2-4-20(23)30/h2-8,11-12,16H,9-10,13-14H2,1H3,(H,37,38)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at RXRalpha-LBD expressed in HEK293 cells assessed as Gal4-DBD interaction by cellular mammalian one hybrid assay


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM50323524
PNG
(4-(((6-((3-(2,6-dichlorophenyl)-5-isopropylisoxazo...)
Show SMILES CC(C)c1onc(c1COc1ccc(N(C)Cc2ccc(cc2)C(O)=O)c(n1)C(F)(F)F)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C28H24Cl2F3N3O4/c1-15(2)25-18(24(35-40-25)23-19(29)5-4-6-20(23)30)14-39-22-12-11-21(26(34-22)28(31,32)33)36(3)13-16-7-9-17(10-8-16)27(37)38/h4-12,15H,13-14H2,1-3H3,(H,37,38)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at LXRalpha-LBD expressed in HEK293 cells assessed as Gal4-DBD interaction by cellular mammalian one hybrid assay


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50323524
PNG
(4-(((6-((3-(2,6-dichlorophenyl)-5-isopropylisoxazo...)
Show SMILES CC(C)c1onc(c1COc1ccc(N(C)Cc2ccc(cc2)C(O)=O)c(n1)C(F)(F)F)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C28H24Cl2F3N3O4/c1-15(2)25-18(24(35-40-25)23-19(29)5-4-6-20(23)30)14-39-22-12-11-21(26(34-22)28(31,32)33)36(3)13-16-7-9-17(10-8-16)27(37)38/h4-12,15H,13-14H2,1-3H3,(H,37,38)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at VDR-LBD expressed in HEK293 cells assessed as Gal4-DBD interaction by cellular mammalian one hybrid assay


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Pregnane X receptor (PXR)


(Homo sapiens (Human))
BDBM50323524
PNG
(4-(((6-((3-(2,6-dichlorophenyl)-5-isopropylisoxazo...)
Show SMILES CC(C)c1onc(c1COc1ccc(N(C)Cc2ccc(cc2)C(O)=O)c(n1)C(F)(F)F)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C28H24Cl2F3N3O4/c1-15(2)25-18(24(35-40-25)23-19(29)5-4-6-20(23)30)14-39-22-12-11-21(26(34-22)28(31,32)33)36(3)13-16-7-9-17(10-8-16)27(37)38/h4-12,15H,13-14H2,1-3H3,(H,37,38)
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n/an/an/an/a>1.28E+6n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at PXR-LBD expressed in HEK293 cells assessed as Gal4-DBD interaction by cellular mammalian one hybrid assay


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50323529
PNG
(2-(4-(((6-((3-(2,6-dichlorophenyl)-5-isopropylisox...)
Show SMILES CC(C)c1onc(c1COc1ccc(N(C)Cc2ccc(OCCO)cc2)c(n1)C(F)(F)F)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C29H28Cl2F3N3O4/c1-17(2)27-20(26(36-41-27)25-21(30)5-4-6-22(25)31)16-40-24-12-11-23(28(35-24)29(32,33)34)37(3)15-18-7-9-19(10-8-18)39-14-13-38/h4-12,17,38H,13-16H2,1-3H3
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n/an/an/an/a 164n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at human GST-fused FXR LBD assessed as cofactor peptide interaction with receptor ligand binding domain by FRET assay


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50323537
PNG
(3-(((3-chloro-5-((3-(2,6-dichlorophenyl)-5-isoprop...)
Show SMILES CC(C)c1onc(c1COc1cnc(N(C)Cc2cccc(c2)C(O)=O)c(Cl)c1)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C27H24Cl3N3O4/c1-15(2)25-19(24(32-37-25)23-20(28)8-5-9-21(23)29)14-36-18-11-22(30)26(31-12-18)33(3)13-16-6-4-7-17(10-16)27(34)35/h4-12,15H,13-14H2,1-3H3,(H,34,35)
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n/an/an/an/a 61n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at human full length FXR transfected in HEK293 cells coexpressing pTRexDest/pGL2promotor assessed as luciferase activity by direct r...


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50323532
PNG
(2-(3-(((6-((3-(2,6-dichlorophenyl)-5-isopropylisox...)
Show SMILES CC(C)c1onc(c1COc1ccc(N(C)Cc2cccc(c2)C(=O)NCCOP(O)(O)=O)c(n1)C(F)(F)F)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C30H30Cl2F3N4O7P/c1-17(2)27-20(26(38-46-27)25-21(31)8-5-9-22(25)32)16-44-24-11-10-23(28(37-24)30(33,34)35)39(3)15-18-6-4-7-19(14-18)29(40)36-12-13-45-47(41,42)43/h4-11,14,17H,12-13,15-16H2,1-3H3,(H,36,40)(H2,41,42,43)
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n/an/an/an/a 216n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at human full length FXR transfected in HEK293 cells coexpressing pTRexDest/pGL2promotor assessed as luciferase activity by direct r...


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50323524
PNG
(4-(((6-((3-(2,6-dichlorophenyl)-5-isopropylisoxazo...)
Show SMILES CC(C)c1onc(c1COc1ccc(N(C)Cc2ccc(cc2)C(O)=O)c(n1)C(F)(F)F)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C28H24Cl2F3N3O4/c1-15(2)25-18(24(35-40-25)23-19(29)5-4-6-20(23)30)14-39-22-12-11-21(26(34-22)28(31,32)33)36(3)13-16-7-9-17(10-8-16)27(37)38/h4-12,15H,13-14H2,1-3H3,(H,37,38)
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n/an/an/an/a 90n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at human GST-fused FXR LBD expressed in HEK293 cells coexpressing GAL4-DNA bindig domain and pFRluc by mammalian one-hybrid assay


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50323526
PNG
(3-(((6-((3-(2,6-dichlorophenyl)-5-isopropylisoxazo...)
Show SMILES CC(C)c1onc(c1COc1ccc(N(C)Cc2cccc(c2)C(O)=O)c(n1)C(F)(F)F)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C28H24Cl2F3N3O4/c1-15(2)25-18(24(35-40-25)23-19(29)8-5-9-20(23)30)14-39-22-11-10-21(26(34-22)28(31,32)33)36(3)13-16-6-4-7-17(12-16)27(37)38/h4-12,15H,13-14H2,1-3H3,(H,37,38)
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n/an/an/an/a 12n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at human GST-fused FXR LBD assessed as cofactor peptide interaction with receptor ligand binding domain by FRET assay


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50323524
PNG
(4-(((6-((3-(2,6-dichlorophenyl)-5-isopropylisoxazo...)
Show SMILES CC(C)c1onc(c1COc1ccc(N(C)Cc2ccc(cc2)C(O)=O)c(n1)C(F)(F)F)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C28H24Cl2F3N3O4/c1-15(2)25-18(24(35-40-25)23-19(29)5-4-6-20(23)30)14-39-22-12-11-21(26(34-22)28(31,32)33)36(3)13-16-7-9-17(10-8-16)27(37)38/h4-12,15H,13-14H2,1-3H3,(H,37,38)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at LXRbeta-LBD expressed in HEK293 cells assessed as Gal4-DBD interaction by cellular mammalian one hybrid assay


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50323524
PNG
(4-(((6-((3-(2,6-dichlorophenyl)-5-isopropylisoxazo...)
Show SMILES CC(C)c1onc(c1COc1ccc(N(C)Cc2ccc(cc2)C(O)=O)c(n1)C(F)(F)F)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C28H24Cl2F3N3O4/c1-15(2)25-18(24(35-40-25)23-19(29)5-4-6-20(23)30)14-39-22-12-11-21(26(34-22)28(31,32)33)36(3)13-16-7-9-17(10-8-16)27(37)38/h4-12,15H,13-14H2,1-3H3,(H,37,38)
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n/an/an/an/a 15n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at human full length FXR transfected in HEK293 cells coexpressing pTRexDest/pGL2promotor assessed as luciferase activity by direct r...


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (human))
BDBM50323530
PNG
(3-(((6-((5-cyclopropyl-3-(2,6-dichlorophenyl)isoxa...)
Show SMILES CN(Cc1cccc(c1)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)nc1C(F)(F)F
Show InChI InChI=1S/C28H22Cl2F3N3O4/c1-36(13-15-4-2-5-17(12-15)27(37)38)21-10-11-22(34-26(21)28(31,32)33)39-14-18-24(35-40-25(18)16-8-9-16)23-19(29)6-3-7-20(23)30/h2-7,10-12,16H,8-9,13-14H2,1H3,(H,37,38)
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Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at TRalpha-LBD expressed in HEK293 cells assessed as Gal4-DBD interaction by cellular mammalian one hybrid assay


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (human))
BDBM50323524
PNG
(4-(((6-((3-(2,6-dichlorophenyl)-5-isopropylisoxazo...)
Show SMILES CC(C)c1onc(c1COc1ccc(N(C)Cc2ccc(cc2)C(O)=O)c(n1)C(F)(F)F)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C28H24Cl2F3N3O4/c1-15(2)25-18(24(35-40-25)23-19(29)5-4-6-20(23)30)14-39-22-12-11-21(26(34-22)28(31,32)33)36(3)13-16-7-9-17(10-8-16)27(37)38/h4-12,15H,13-14H2,1-3H3,(H,37,38)
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Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at TRalpha-LBD expressed in HEK293 cells assessed as Gal4-DBD interaction by cellular mammalian one hybrid assay


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50323524
PNG
(4-(((6-((3-(2,6-dichlorophenyl)-5-isopropylisoxazo...)
Show SMILES CC(C)c1onc(c1COc1ccc(N(C)Cc2ccc(cc2)C(O)=O)c(n1)C(F)(F)F)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C28H24Cl2F3N3O4/c1-15(2)25-18(24(35-40-25)23-19(29)5-4-6-20(23)30)14-39-22-12-11-21(26(34-22)28(31,32)33)36(3)13-16-7-9-17(10-8-16)27(37)38/h4-12,15H,13-14H2,1-3H3,(H,37,38)
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Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at androgen receptor-LBD expressed in HEK293 cells assessed as Gal4-DBD interaction by cellular mammalian one hybrid assay


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50323533
PNG
(4-(((6-((5-cyclopropyl-3-(2,6-dichlorophenyl)isoxa...)
Show SMILES CN(Cc1ccc(cc1)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)nc1C(F)(F)F
Show InChI InChI=1S/C28H22Cl2F3N3O4/c1-36(13-15-5-7-17(8-6-15)27(37)38)21-11-12-22(34-26(21)28(31,32)33)39-14-18-24(35-40-25(18)16-9-10-16)23-19(29)3-2-4-20(23)30/h2-8,11-12,16H,9-10,13-14H2,1H3,(H,37,38)
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Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at progesterone receptor-LBD expressed in HEK293 cells assessed as Gal4-DBD interaction by cellular mammalian one hybrid assay


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens)
BDBM50323533
PNG
(4-(((6-((5-cyclopropyl-3-(2,6-dichlorophenyl)isoxa...)
Show SMILES CN(Cc1ccc(cc1)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)nc1C(F)(F)F
Show InChI InChI=1S/C28H22Cl2F3N3O4/c1-36(13-15-5-7-17(8-6-15)27(37)38)21-11-12-22(34-26(21)28(31,32)33)39-14-18-24(35-40-25(18)16-9-10-16)23-19(29)3-2-4-20(23)30/h2-8,11-12,16H,9-10,13-14H2,1H3,(H,37,38)
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Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at RARalpha-LBD expressed in HEK293 cells assessed as Gal4-DBD interaction by cellular mammalian one hybrid assay


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens)
BDBM50323530
PNG
(3-(((6-((5-cyclopropyl-3-(2,6-dichlorophenyl)isoxa...)
Show SMILES CN(Cc1cccc(c1)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)nc1C(F)(F)F
Show InChI InChI=1S/C28H22Cl2F3N3O4/c1-36(13-15-4-2-5-17(12-15)27(37)38)21-10-11-22(34-26(21)28(31,32)33)39-14-18-24(35-40-25(18)16-8-9-16)23-19(29)6-3-7-20(23)30/h2-7,10-12,16H,8-9,13-14H2,1H3,(H,37,38)
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Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at RARbeta-LBD expressed in HEK293 cells assessed as Gal4-DBD interaction by cellular mammalian one hybrid assay


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50323530
PNG
(3-(((6-((5-cyclopropyl-3-(2,6-dichlorophenyl)isoxa...)
Show SMILES CN(Cc1cccc(c1)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)nc1C(F)(F)F
Show InChI InChI=1S/C28H22Cl2F3N3O4/c1-36(13-15-4-2-5-17(12-15)27(37)38)21-10-11-22(34-26(21)28(31,32)33)39-14-18-24(35-40-25(18)16-8-9-16)23-19(29)6-3-7-20(23)30/h2-7,10-12,16H,8-9,13-14H2,1H3,(H,37,38)
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n/an/an/an/a 3n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at human GST-fused FXR LBD assessed as cofactor peptide interaction with receptor ligand binding domain by FRET assay


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50323521
PNG
(3-(2,6-dichlorophenyl)-5-isopropyl-4-((4-methyl-5-...)
Show SMILES CC(C)c1[o+][n-]c(c1COc1cc(C)c(cn1)[N+]([O-])=O)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C19H17Cl2N3O4/c1-10(2)19-12(9-27-16-7-11(3)15(8-22-16)24(25)26)18(23-28-19)17-13(20)5-4-6-14(17)21/h4-8,10H,9H2,1-3H3
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n/an/an/an/a 1.14E+3n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at human full length FXR transfected in HEK293 cells coexpressing pTRexDest/pGL2promotor assessed as luciferase activity by direct r...


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50323538
PNG
(4-(1-(6-((5-cyclopropyl-3-(2,6-dichlorophenyl)isox...)
Show SMILES CC(Nc1ccc(cc1)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)nc1C(F)(F)F
Show InChI InChI=1S/C28H22Cl2F3N3O4/c1-14(34-17-9-7-16(8-10-17)27(37)38)18-11-12-22(35-26(18)28(31,32)33)39-13-19-24(36-40-25(19)15-5-6-15)23-20(29)3-2-4-21(23)30/h2-4,7-12,14-15,34H,5-6,13H2,1H3,(H,37,38)
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n/an/an/an/a 202n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at human full length FXR transfected in HEK293 cells coexpressing pTRexDest/pGL2promotor assessed as luciferase activity by direct r...


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50323538
PNG
(4-(1-(6-((5-cyclopropyl-3-(2,6-dichlorophenyl)isox...)
Show SMILES CC(Nc1ccc(cc1)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)nc1C(F)(F)F
Show InChI InChI=1S/C28H22Cl2F3N3O4/c1-14(34-17-9-7-16(8-10-17)27(37)38)18-11-12-22(35-26(18)28(31,32)33)39-13-19-24(36-40-25(19)15-5-6-15)23-20(29)3-2-4-21(23)30/h2-4,7-12,14-15,34H,5-6,13H2,1H3,(H,37,38)
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n/an/an/an/a 333n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at human GST-fused FXR LBD expressed in HEK293 cells coexpressing GAL4-DNA bindig domain and pFRluc by mammalian one-hybrid assay


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50323543
PNG
(3-(1-(6-((5-cyclopropyl-3-(2,6-dichlorophenyl)isox...)
Show SMILES CC(Oc1cccc(c1)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)nc1C(F)(F)F
Show InChI InChI=1S/C28H21Cl2F3N2O5/c1-14(39-17-5-2-4-16(12-17)27(36)37)18-10-11-22(34-26(18)28(31,32)33)38-13-19-24(35-40-25(19)15-8-9-15)23-20(29)6-3-7-21(23)30/h2-7,10-12,14-15H,8-9,13H2,1H3,(H,36,37)
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n/an/an/an/a 107n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at human GST-fused FXR LBD expressed in HEK293 cells coexpressing GAL4-DNA bindig domain and pFRluc by mammalian one-hybrid assay


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50323544
PNG
(4-(1-(6-((5-cyclopropyl-3-(2,6-dichlorophenyl)isox...)
Show SMILES CC(Oc1ccc(cc1)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)nc1C(F)(F)F
Show InChI InChI=1S/C28H21Cl2F3N2O5/c1-14(39-17-9-7-16(8-10-17)27(36)37)18-11-12-22(34-26(18)28(31,32)33)38-13-19-24(35-40-25(19)15-5-6-15)23-20(29)3-2-4-21(23)30/h2-4,7-12,14-15H,5-6,13H2,1H3,(H,36,37)
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n/an/an/an/a 189n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at human GST-fused FXR LBD expressed in HEK293 cells coexpressing GAL4-DNA bindig domain and pFRluc by mammalian one-hybrid assay


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50323527
PNG
(4-(((6-((3-(2,6-dichlorophenyl)-5-isopropylisoxazo...)
Show SMILES CC(C)c1onc(c1COc1ccc(N(C)Cc2ccc(cc2)C(=O)NS(C)(=O)=O)c(n1)C(F)(F)F)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C29H27Cl2F3N4O5S/c1-16(2)26-19(25(36-43-26)24-20(30)6-5-7-21(24)31)15-42-23-13-12-22(27(35-23)29(32,33)34)38(3)14-17-8-10-18(11-9-17)28(39)37-44(4,40)41/h5-13,16H,14-15H2,1-4H3,(H,37,39)
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n/an/an/an/a 40n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at human GST-fused FXR LBD assessed as cofactor peptide interaction with receptor ligand binding domain by FRET assay


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50323519
PNG
(4-((6-((3-(2,6-dichlorophenyl)-5-isopropylisoxazol...)
Show SMILES CC(C)c1onc(c1COc1ccc(N(C)C(=O)c2ccc(cc2)C(O)=O)c(C)n1)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C28H25Cl2N3O5/c1-15(2)26-19(25(32-38-26)24-20(29)6-5-7-21(24)30)14-37-23-13-12-22(16(3)31-23)33(4)27(34)17-8-10-18(11-9-17)28(35)36/h5-13,15H,14H2,1-4H3,(H,35,36)
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n/an/an/an/a 1.19E+3n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at human full length FXR transfected in HEK293 cells coexpressing pTRexDest/pGL2promotor assessed as luciferase activity by direct r...


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50323530
PNG
(3-(((6-((5-cyclopropyl-3-(2,6-dichlorophenyl)isoxa...)
Show SMILES CN(Cc1cccc(c1)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)nc1C(F)(F)F
Show InChI InChI=1S/C28H22Cl2F3N3O4/c1-36(13-15-4-2-5-17(12-15)27(37)38)21-10-11-22(34-26(21)28(31,32)33)39-14-18-24(35-40-25(18)16-8-9-16)23-19(29)6-3-7-20(23)30/h2-7,10-12,16H,8-9,13-14H2,1H3,(H,37,38)
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n/an/an/an/a 2n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at human full length FXR transfected in HEK293 cells coexpressing pTRexDest/pGL2promotor assessed as luciferase activity by direct r...


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50323536
PNG
(4-(((3-chloro-5-((3-(2,6-dichlorophenyl)-5-isoprop...)
Show SMILES CC(C)c1onc(c1COc1cnc(N(C)Cc2ccc(cc2)C(O)=O)c(Cl)c1)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C27H24Cl3N3O4/c1-15(2)25-19(24(32-37-25)23-20(28)5-4-6-21(23)29)14-36-18-11-22(30)26(31-12-18)33(3)13-16-7-9-17(10-8-16)27(34)35/h4-12,15H,13-14H2,1-3H3,(H,34,35)
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n/an/an/an/a 120n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at human full length FXR transfected in HEK293 cells coexpressing pTRexDest/pGL2promotor assessed as luciferase activity by direct r...


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50323537
PNG
(3-(((3-chloro-5-((3-(2,6-dichlorophenyl)-5-isoprop...)
Show SMILES CC(C)c1onc(c1COc1cnc(N(C)Cc2cccc(c2)C(O)=O)c(Cl)c1)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C27H24Cl3N3O4/c1-15(2)25-19(24(32-37-25)23-20(28)8-5-9-21(23)29)14-36-18-11-22(30)26(31-12-18)33(3)13-16-6-4-7-17(10-16)27(34)35/h4-12,15H,13-14H2,1-3H3,(H,34,35)
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n/an/an/an/a 190n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at human GST-fused FXR LBD expressed in HEK293 cells coexpressing GAL4-DNA bindig domain and pFRluc by mammalian one-hybrid assay


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50323521
PNG
(3-(2,6-dichlorophenyl)-5-isopropyl-4-((4-methyl-5-...)
Show SMILES CC(C)c1[o+][n-]c(c1COc1cc(C)c(cn1)[N+]([O-])=O)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C19H17Cl2N3O4/c1-10(2)19-12(9-27-16-7-11(3)15(8-22-16)24(25)26)18(23-28-19)17-13(20)5-4-6-14(17)21/h4-8,10H,9H2,1-3H3
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n/an/an/an/a 89n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at human GST-fused FXR LBD expressed in HEK293 cells coexpressing GAL4-DNA bindig domain and pFRluc by mammalian one-hybrid assay


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (human))
BDBM50323533
PNG
(4-(((6-((5-cyclopropyl-3-(2,6-dichlorophenyl)isoxa...)
Show SMILES CN(Cc1ccc(cc1)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)nc1C(F)(F)F
Show InChI InChI=1S/C28H22Cl2F3N3O4/c1-36(13-15-5-7-17(8-6-15)27(37)38)21-11-12-22(34-26(21)28(31,32)33)39-14-18-24(35-40-25(18)16-9-10-16)23-19(29)3-2-4-20(23)30/h2-8,11-12,16H,9-10,13-14H2,1H3,(H,37,38)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at TRalpha-LBD expressed in HEK293 cells assessed as Gal4-DBD interaction by cellular mammalian one hybrid assay


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50323524
PNG
(4-(((6-((3-(2,6-dichlorophenyl)-5-isopropylisoxazo...)
Show SMILES CC(C)c1onc(c1COc1ccc(N(C)Cc2ccc(cc2)C(O)=O)c(n1)C(F)(F)F)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C28H24Cl2F3N3O4/c1-15(2)25-18(24(35-40-25)23-19(29)5-4-6-20(23)30)14-39-22-12-11-21(26(34-22)28(31,32)33)36(3)13-16-7-9-17(10-8-16)27(37)38/h4-12,15H,13-14H2,1-3H3,(H,37,38)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at ERalpha-LBD expressed in HEK293 cells assessed as Gal4-DBD interaction by cellular mammalian one hybrid assay


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50323530
PNG
(3-(((6-((5-cyclopropyl-3-(2,6-dichlorophenyl)isoxa...)
Show SMILES CN(Cc1cccc(c1)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)nc1C(F)(F)F
Show InChI InChI=1S/C28H22Cl2F3N3O4/c1-36(13-15-4-2-5-17(12-15)27(37)38)21-10-11-22(34-26(21)28(31,32)33)39-14-18-24(35-40-25(18)16-8-9-16)23-19(29)6-3-7-20(23)30/h2-7,10-12,16H,8-9,13-14H2,1H3,(H,37,38)
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n/an/an/an/a 1.04E+6n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at ERalpha-LBD expressed in HEK293 cells assessed as Gal4-DBD interaction by cellular mammalian one hybrid assay


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50323533
PNG
(4-(((6-((5-cyclopropyl-3-(2,6-dichlorophenyl)isoxa...)
Show SMILES CN(Cc1ccc(cc1)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)nc1C(F)(F)F
Show InChI InChI=1S/C28H22Cl2F3N3O4/c1-36(13-15-5-7-17(8-6-15)27(37)38)21-11-12-22(34-26(21)28(31,32)33)39-14-18-24(35-40-25(18)16-9-10-16)23-19(29)3-2-4-20(23)30/h2-8,11-12,16H,9-10,13-14H2,1H3,(H,37,38)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at PPAR-beta/delta-LBD expressed in HEK293 cells assessed as Gal4-DBD interaction by cellular mammalian one hybrid assay


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM50323530
PNG
(3-(((6-((5-cyclopropyl-3-(2,6-dichlorophenyl)isoxa...)
Show SMILES CN(Cc1cccc(c1)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)nc1C(F)(F)F
Show InChI InChI=1S/C28H22Cl2F3N3O4/c1-36(13-15-4-2-5-17(12-15)27(37)38)21-10-11-22(34-26(21)28(31,32)33)39-14-18-24(35-40-25(18)16-8-9-16)23-19(29)6-3-7-20(23)30/h2-7,10-12,16H,8-9,13-14H2,1H3,(H,37,38)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at LXRalpha-LBD expressed in HEK293 cells assessed as Gal4-DBD interaction by cellular mammalian one hybrid assay


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens)
BDBM50323530
PNG
(3-(((6-((5-cyclopropyl-3-(2,6-dichlorophenyl)isoxa...)
Show SMILES CN(Cc1cccc(c1)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)nc1C(F)(F)F
Show InChI InChI=1S/C28H22Cl2F3N3O4/c1-36(13-15-4-2-5-17(12-15)27(37)38)21-10-11-22(34-26(21)28(31,32)33)39-14-18-24(35-40-25(18)16-8-9-16)23-19(29)6-3-7-20(23)30/h2-7,10-12,16H,8-9,13-14H2,1H3,(H,37,38)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at RARalpha-LBD expressed in HEK293 cells assessed as Gal4-DBD interaction by cellular mammalian one hybrid assay


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 3


(Homo sapiens)
BDBM50323524
PNG
(4-(((6-((3-(2,6-dichlorophenyl)-5-isopropylisoxazo...)
Show SMILES CC(C)c1onc(c1COc1ccc(N(C)Cc2ccc(cc2)C(O)=O)c(n1)C(F)(F)F)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C28H24Cl2F3N3O4/c1-15(2)25-18(24(35-40-25)23-19(29)5-4-6-20(23)30)14-39-22-12-11-21(26(34-22)28(31,32)33)36(3)13-16-7-9-17(10-8-16)27(37)38/h4-12,15H,13-14H2,1-3H3,(H,37,38)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at CAR-LBD expressed in HEK293 cells assessed as Gal4-DBD interaction by cellular mammalian one hybrid assay


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%