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16 similar compounds to monomer 50184266

Compile data set for download or QSAR
Wt: 387.3
BDBM50164209
Wt: 518.4
BDBM50184250
Wt: 436.4
BDBM50184251
Wt: 451.4
BDBM50184252
Wt: 450.4
BDBM50184253
Wt: 450.4
BDBM50184254
Wt: 464.4
BDBM50184256
Wt: 464.4
BDBM50184258
Wt: 484.8
BDBM50184259
Wt: 484.8
BDBM50184260
Wt: 437.4
BDBM50184261
Wt: 478.4
BDBM50184265
Wt: 464.4
BDBM50184267
Wt: 392.4
BDBM50184269
Wt: 435.4
BDBM50184271
Displayed 1 to 15 (of 16 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 87 hits for monomerid = 50164209,50184250,50184251,50184252,50184253,50184254,50184256,50184258,50184259,50184260,50184261,50184265,50184267,50184269,50184271   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50184269
PNG
(CHEMBL207236 | N-methyl-N-(3-(7-propyl-3-(trifluor...)
Show SMILES CCCc1c(OCCCN(C)c2ccccc2)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C21H23F3N2O2/c1-3-8-16-18(12-11-17-19(16)28-25-20(17)21(22,23)24)27-14-7-13-26(2)15-9-5-4-6-10-15/h4-6,9-12H,3,7-8,13-14H2,1-2H3
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n/an/a 428n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of LXR beta


Bioorg Med Chem Lett 16: 3055-60 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.050
BindingDB Entry DOI: 10.7270/Q20V8CD6
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM50184250
PNG
(2-(4-(methyl(3-(7-propyl-3-(trifluoromethyl)benzo[...)
Show SMILES CCCc1c(OCCCN(C)c2ccc(CC(O)=O)c(c2)C(F)(F)F)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C24H24F6N2O4/c1-3-5-16-19(9-8-17-21(16)36-31-22(17)24(28,29)30)35-11-4-10-32(2)15-7-6-14(12-20(33)34)18(13-15)23(25,26)27/h6-9,13H,3-5,10-12H2,1-2H3,(H,33,34)
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n/an/a 60n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of LXR alpha


Bioorg Med Chem Lett 16: 3055-60 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.050
BindingDB Entry DOI: 10.7270/Q20V8CD6
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50184254
PNG
(2-(4-(methyl(3-(7-propyl-3-(trifluoromethyl)benzo[...)
Show SMILES CCCc1c(OCCCN(C)c2ccc(CC(O)=O)cc2)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C23H25F3N2O4/c1-3-5-17-19(11-10-18-21(17)32-27-22(18)23(24,25)26)31-13-4-12-28(2)16-8-6-15(7-9-16)14-20(29)30/h6-11H,3-5,12-14H2,1-2H3,(H,29,30)
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n/an/an/an/a 360n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Activity at LXR beta as beta-lactamase transactivation in CHO cells


Bioorg Med Chem Lett 16: 3055-60 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.050
BindingDB Entry DOI: 10.7270/Q20V8CD6
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM50184259
PNG
(2-(2-chloro-4-(methyl(3-(7-propyl-3-(trifluorometh...)
Show SMILES CCCc1c(OCCCN(C)c2ccc(CC(O)=O)c(Cl)c2)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C23H24ClF3N2O4/c1-3-5-16-19(9-8-17-21(16)33-28-22(17)23(25,26)27)32-11-4-10-29(2)15-7-6-14(12-20(30)31)18(24)13-15/h6-9,13H,3-5,10-12H2,1-2H3,(H,30,31)
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n/an/an/an/a 170n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Activity at LXR alpha as beta-lactamase transactivation in CHO cells


Bioorg Med Chem Lett 16: 3055-60 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.050
BindingDB Entry DOI: 10.7270/Q20V8CD6
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50184259
PNG
(2-(2-chloro-4-(methyl(3-(7-propyl-3-(trifluorometh...)
Show SMILES CCCc1c(OCCCN(C)c2ccc(CC(O)=O)c(Cl)c2)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C23H24ClF3N2O4/c1-3-5-16-19(9-8-17-21(16)33-28-22(17)23(25,26)27)32-11-4-10-29(2)15-7-6-14(12-20(30)31)18(24)13-15/h6-9,13H,3-5,10-12H2,1-2H3,(H,30,31)
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n/an/a 10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of LXR beta


Bioorg Med Chem Lett 16: 3055-60 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.050
BindingDB Entry DOI: 10.7270/Q20V8CD6
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50184256
PNG
(2-(2-methyl-4-(methyl(3-(7-propyl-3-(trifluorometh...)
Show SMILES CCCc1c(OCCCN(C)c2ccc(CC(O)=O)c(C)c2)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C24H27F3N2O4/c1-4-6-18-20(10-9-19-22(18)33-28-23(19)24(25,26)27)32-12-5-11-29(3)17-8-7-16(14-21(30)31)15(2)13-17/h7-10,13H,4-6,11-12,14H2,1-3H3,(H,30,31)
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n/an/an/an/a 303n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Activity at LXR beta as beta-lactamase transactivation in CHO cells


Bioorg Med Chem Lett 16: 3055-60 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.050
BindingDB Entry DOI: 10.7270/Q20V8CD6
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50184251
PNG
(4-(methyl(3-(7-propyl-3-(trifluoromethyl)benzo[d]i...)
Show SMILES CCCc1c(OCCCN(C)c2ccc(cc2)C(O)=O)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C22H23F3N2O4/c1-3-5-16-18(11-10-17-19(16)31-26-20(17)22(23,24)25)30-13-4-12-27(2)15-8-6-14(7-9-15)21(28)29/h6-11H,3-5,12-13H2,1-2H3,(H,28,29)
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n/an/a 190n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of LXR beta


Bioorg Med Chem Lett 16: 3055-60 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.050
BindingDB Entry DOI: 10.7270/Q20V8CD6
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM50184251
PNG
(4-(methyl(3-(7-propyl-3-(trifluoromethyl)benzo[d]i...)
Show SMILES CCCc1c(OCCCN(C)c2ccc(cc2)C(O)=O)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C22H23F3N2O4/c1-3-5-16-18(11-10-17-19(16)31-26-20(17)22(23,24)25)30-13-4-12-27(2)15-8-6-14(7-9-15)21(28)29/h6-11H,3-5,12-13H2,1-2H3,(H,28,29)
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n/an/an/an/a 6.00E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Activity at LXR alpha as beta-lactamase transactivation in CHO cells


Bioorg Med Chem Lett 16: 3055-60 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.050
BindingDB Entry DOI: 10.7270/Q20V8CD6
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50184250
PNG
(2-(4-(methyl(3-(7-propyl-3-(trifluoromethyl)benzo[...)
Show SMILES CCCc1c(OCCCN(C)c2ccc(CC(O)=O)c(c2)C(F)(F)F)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C24H24F6N2O4/c1-3-5-16-19(9-8-17-21(16)36-31-22(17)24(28,29)30)35-11-4-10-32(2)15-7-6-14(12-20(33)34)18(13-15)23(25,26)27/h6-9,13H,3-5,10-12H2,1-2H3,(H,33,34)
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n/an/a 18n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of LXR beta


Bioorg Med Chem Lett 16: 3055-60 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.050
BindingDB Entry DOI: 10.7270/Q20V8CD6
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50184252
PNG
(2-(6-(methyl(3-(7-propyl-3-(trifluoromethyl)benzo[...)
Show SMILES CCCc1c(OCCCN(C)c2ccc(CC(O)=O)cn2)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C22H24F3N3O4/c1-3-5-15-17(8-7-16-20(15)32-27-21(16)22(23,24)25)31-11-4-10-28(2)18-9-6-14(13-26-18)12-19(29)30/h6-9,13H,3-5,10-12H2,1-2H3,(H,29,30)
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n/an/a 630n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of LXR beta


Bioorg Med Chem Lett 16: 3055-60 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.050
BindingDB Entry DOI: 10.7270/Q20V8CD6
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM50184252
PNG
(2-(6-(methyl(3-(7-propyl-3-(trifluoromethyl)benzo[...)
Show SMILES CCCc1c(OCCCN(C)c2ccc(CC(O)=O)cn2)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C22H24F3N3O4/c1-3-5-15-17(8-7-16-20(15)32-27-21(16)22(23,24)25)31-11-4-10-28(2)18-9-6-14(13-26-18)12-19(29)30/h6-9,13H,3-5,10-12H2,1-2H3,(H,29,30)
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n/an/an/an/a 5.00E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Activity at LXR alpha as beta-lactamase transactivation in CHO cells


Bioorg Med Chem Lett 16: 3055-60 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.050
BindingDB Entry DOI: 10.7270/Q20V8CD6
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50184258
PNG
(2-(3-methyl-4-(methyl(3-(7-propyl-3-(trifluorometh...)
Show SMILES CCCc1c(OCCCN(C)c2ccc(CC(O)=O)cc2C)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C24H27F3N2O4/c1-4-6-17-20(10-8-18-22(17)33-28-23(18)24(25,26)27)32-12-5-11-29(3)19-9-7-16(13-15(19)2)14-21(30)31/h7-10,13H,4-6,11-12,14H2,1-3H3,(H,30,31)
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n/an/a 320n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of LXR beta


Bioorg Med Chem Lett 16: 3055-60 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.050
BindingDB Entry DOI: 10.7270/Q20V8CD6
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50184253
PNG
(2-(3-(methyl(3-(7-propyl-3-(trifluoromethyl)benzo[...)
Show SMILES CCCc1c(OCCCN(C)c2cccc(CC(O)=O)c2)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C23H25F3N2O4/c1-3-6-17-19(10-9-18-21(17)32-27-22(18)23(24,25)26)31-12-5-11-28(2)16-8-4-7-15(13-16)14-20(29)30/h4,7-10,13H,3,5-6,11-12,14H2,1-2H3,(H,29,30)
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n/an/an/an/a 3.50E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Activity at LXR beta as beta-lactamase transactivation in CHO cells


Bioorg Med Chem Lett 16: 3055-60 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.050
BindingDB Entry DOI: 10.7270/Q20V8CD6
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50184253
PNG
(2-(3-(methyl(3-(7-propyl-3-(trifluoromethyl)benzo[...)
Show SMILES CCCc1c(OCCCN(C)c2cccc(CC(O)=O)c2)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C23H25F3N2O4/c1-3-6-17-19(10-9-18-21(17)32-27-22(18)23(24,25)26)31-12-5-11-28(2)16-8-4-7-15(13-16)14-20(29)30/h4,7-10,13H,3,5-6,11-12,14H2,1-2H3,(H,29,30)
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n/an/a 98n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of LXR beta


Bioorg Med Chem Lett 16: 3055-60 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.050
BindingDB Entry DOI: 10.7270/Q20V8CD6
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM50184253
PNG
(2-(3-(methyl(3-(7-propyl-3-(trifluoromethyl)benzo[...)
Show SMILES CCCc1c(OCCCN(C)c2cccc(CC(O)=O)c2)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C23H25F3N2O4/c1-3-6-17-19(10-9-18-21(17)32-27-22(18)23(24,25)26)31-12-5-11-28(2)16-8-4-7-15(13-16)14-20(29)30/h4,7-10,13H,3,5-6,11-12,14H2,1-2H3,(H,29,30)
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n/an/an/an/a 2.60E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Activity at LXR alpha as beta-lactamase transactivation in CHO cells


Bioorg Med Chem Lett 16: 3055-60 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.050
BindingDB Entry DOI: 10.7270/Q20V8CD6
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50184271
PNG
(2-(4-(4-(7-propyl-3-(trifluoromethyl)benzo[d]isoxa...)
Show SMILES CCCc1c(OCCCCc2ccc(CC(O)=O)cc2)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C23H24F3NO4/c1-2-5-17-19(12-11-18-21(17)31-27-22(18)23(24,25)26)30-13-4-3-6-15-7-9-16(10-8-15)14-20(28)29/h7-12H,2-6,13-14H2,1H3,(H,28,29)
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n/an/a 970n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of LXR beta


Bioorg Med Chem Lett 16: 3055-60 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.050
BindingDB Entry DOI: 10.7270/Q20V8CD6
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50184260
PNG
(2-(3-chloro-4-(methyl(3-(7-propyl-3-(trifluorometh...)
Show SMILES CCCc1c(OCCCN(C)c2ccc(CC(O)=O)cc2Cl)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C23H24ClF3N2O4/c1-3-5-15-19(9-7-16-21(15)33-28-22(16)23(25,26)27)32-11-4-10-29(2)18-8-6-14(12-17(18)24)13-20(30)31/h6-9,12H,3-5,10-11,13H2,1-2H3,(H,30,31)
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n/an/a 170n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of LXR beta


Bioorg Med Chem Lett 16: 3055-60 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.050
BindingDB Entry DOI: 10.7270/Q20V8CD6
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50184250
PNG
(2-(4-(methyl(3-(7-propyl-3-(trifluoromethyl)benzo[...)
Show SMILES CCCc1c(OCCCN(C)c2ccc(CC(O)=O)c(c2)C(F)(F)F)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C24H24F6N2O4/c1-3-5-16-19(9-8-17-21(16)36-31-22(17)24(28,29)30)35-11-4-10-32(2)15-7-6-14(12-20(33)34)18(13-15)23(25,26)27/h6-9,13H,3-5,10-12H2,1-2H3,(H,33,34)
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n/an/an/an/a 1.30E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Activity at LXR beta as beta-lactamase transactivation in CHO cells


Bioorg Med Chem Lett 16: 3055-60 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.050
BindingDB Entry DOI: 10.7270/Q20V8CD6
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50184259
PNG
(2-(2-chloro-4-(methyl(3-(7-propyl-3-(trifluorometh...)
Show SMILES CCCc1c(OCCCN(C)c2ccc(CC(O)=O)c(Cl)c2)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C23H24ClF3N2O4/c1-3-5-16-19(9-8-17-21(16)33-28-22(17)23(25,26)27)32-11-4-10-29(2)15-7-6-14(12-20(30)31)18(24)13-15/h6-9,13H,3-5,10-12H2,1-2H3,(H,30,31)
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n/an/an/an/a 124n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Activity at LXR beta as beta-lactamase transactivation in CHO cells


Bioorg Med Chem Lett 16: 3055-60 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.050
BindingDB Entry DOI: 10.7270/Q20V8CD6
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM50184256
PNG
(2-(2-methyl-4-(methyl(3-(7-propyl-3-(trifluorometh...)
Show SMILES CCCc1c(OCCCN(C)c2ccc(CC(O)=O)c(C)c2)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C24H27F3N2O4/c1-4-6-18-20(10-9-19-22(18)33-28-23(19)24(25,26)27)32-12-5-11-29(3)17-8-7-16(14-21(30)31)15(2)13-17/h7-10,13H,4-6,11-12,14H2,1-3H3,(H,30,31)
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n/an/an/an/a 1.30E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Activity at LXR alpha as beta-lactamase transactivation in CHO cells


Bioorg Med Chem Lett 16: 3055-60 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.050
BindingDB Entry DOI: 10.7270/Q20V8CD6
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50184254
PNG
(2-(4-(methyl(3-(7-propyl-3-(trifluoromethyl)benzo[...)
Show SMILES CCCc1c(OCCCN(C)c2ccc(CC(O)=O)cc2)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C23H25F3N2O4/c1-3-5-17-19(11-10-18-21(17)32-27-22(18)23(24,25)26)31-13-4-12-28(2)16-8-6-15(7-9-16)14-20(29)30/h6-11H,3-5,12-14H2,1-2H3,(H,29,30)
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n/an/a 25n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of LXR beta


Bioorg Med Chem Lett 16: 3055-60 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.050
BindingDB Entry DOI: 10.7270/Q20V8CD6
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM50184254
PNG
(2-(4-(methyl(3-(7-propyl-3-(trifluoromethyl)benzo[...)
Show SMILES CCCc1c(OCCCN(C)c2ccc(CC(O)=O)cc2)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C23H25F3N2O4/c1-3-5-17-19(11-10-18-21(17)32-27-22(18)23(24,25)26)31-13-4-12-28(2)16-8-6-15(7-9-16)14-20(29)30/h6-11H,3-5,12-14H2,1-2H3,(H,29,30)
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n/an/an/an/a 450n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Activity at LXR alpha as beta-lactamase transactivation in CHO cells


Bioorg Med Chem Lett 16: 3055-60 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.050
BindingDB Entry DOI: 10.7270/Q20V8CD6
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50184256
PNG
(2-(2-methyl-4-(methyl(3-(7-propyl-3-(trifluorometh...)
Show SMILES CCCc1c(OCCCN(C)c2ccc(CC(O)=O)c(C)c2)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C24H27F3N2O4/c1-4-6-18-20(10-9-19-22(18)33-28-23(19)24(25,26)27)32-12-5-11-29(3)17-8-7-16(14-21(30)31)15(2)13-17/h7-10,13H,4-6,11-12,14H2,1-3H3,(H,30,31)
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n/an/a 26n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of LXR beta


Bioorg Med Chem Lett 16: 3055-60 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.050
BindingDB Entry DOI: 10.7270/Q20V8CD6
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50184251
PNG
(4-(methyl(3-(7-propyl-3-(trifluoromethyl)benzo[d]i...)
Show SMILES CCCc1c(OCCCN(C)c2ccc(cc2)C(O)=O)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C22H23F3N2O4/c1-3-5-16-18(11-10-17-19(16)31-26-20(17)22(23,24)25)30-13-4-12-27(2)15-8-6-14(7-9-15)21(28)29/h6-11H,3-5,12-13H2,1-2H3,(H,28,29)
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n/an/an/an/a 5.10E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Activity at LXR beta as beta-lactamase transactivation in CHO cells


Bioorg Med Chem Lett 16: 3055-60 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.050
BindingDB Entry DOI: 10.7270/Q20V8CD6
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50184261
PNG
(2-(4-(3-(7-propyl-3-(trifluoromethyl)benzo[d]isoxa...)
Show SMILES CCCc1c(OCCCOc2ccc(CC(O)=O)cc2)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C22H22F3NO5/c1-2-4-16-18(10-9-17-20(16)31-26-21(17)22(23,24)25)30-12-3-11-29-15-7-5-14(6-8-15)13-19(27)28/h5-10H,2-4,11-13H2,1H3,(H,27,28)
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n/an/a 100n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of LXR beta


Bioorg Med Chem Lett 16: 3055-60 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.050
BindingDB Entry DOI: 10.7270/Q20V8CD6
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50164209
PNG
(3-(5,7-Dipropyl-3-trifluoromethyl-benzo[d]isoxazol...)
Show SMILES CCCc1cc2c(noc2c(CCC)c1OCC(C)(C)C(O)=O)C(F)(F)F
Show InChI InChI=1S/C19H24F3NO4/c1-5-7-11-9-13-15(27-23-16(13)19(20,21)22)12(8-6-2)14(11)26-10-18(3,4)17(24)25/h9H,5-8,10H2,1-4H3,(H,24,25)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Peroxisome proliferator activated receptor alpha binding


J Med Chem 48: 2262-5 (2005)


Article DOI: 10.1021/jm048993p
BindingDB Entry DOI: 10.7270/Q2VT1RM6
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50164209
PNG
(3-(5,7-Dipropyl-3-trifluoromethyl-benzo[d]isoxazol...)
Show SMILES CCCc1cc2c(noc2c(CCC)c1OCC(C)(C)C(O)=O)C(F)(F)F
Show InChI InChI=1S/C19H24F3NO4/c1-5-7-11-9-13-15(27-23-16(13)19(20,21)22)12(8-6-2)14(11)26-10-18(3,4)17(24)25/h9H,5-8,10H2,1-4H3,(H,24,25)
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n/an/a>1.50E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Peroxisome proliferator activated receptor gamma binding


J Med Chem 48: 2262-5 (2005)


Article DOI: 10.1021/jm048993p
BindingDB Entry DOI: 10.7270/Q2VT1RM6
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50184250
PNG
(2-(4-(methyl(3-(7-propyl-3-(trifluoromethyl)benzo[...)
Show SMILES CCCc1c(OCCCN(C)c2ccc(CC(O)=O)c(c2)C(F)(F)F)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C24H24F6N2O4/c1-3-5-16-19(9-8-17-21(16)36-31-22(17)24(28,29)30)35-11-4-10-32(2)15-7-6-14(12-20(33)34)18(13-15)23(25,26)27/h6-9,13H,3-5,10-12H2,1-2H3,(H,33,34)
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n/an/a 540n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PPAR delta


Bioorg Med Chem Lett 16: 3055-60 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.050
BindingDB Entry DOI: 10.7270/Q20V8CD6
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50184254
PNG
(2-(4-(methyl(3-(7-propyl-3-(trifluoromethyl)benzo[...)
Show SMILES CCCc1c(OCCCN(C)c2ccc(CC(O)=O)cc2)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C23H25F3N2O4/c1-3-5-17-19(11-10-18-21(17)32-27-22(18)23(24,25)26)31-13-4-12-28(2)16-8-6-15(7-9-16)14-20(29)30/h6-11H,3-5,12-14H2,1-2H3,(H,29,30)
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n/an/a 310n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PPAR alpha


Bioorg Med Chem Lett 16: 3055-60 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.050
BindingDB Entry DOI: 10.7270/Q20V8CD6
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM50184256
PNG
(2-(2-methyl-4-(methyl(3-(7-propyl-3-(trifluorometh...)
Show SMILES CCCc1c(OCCCN(C)c2ccc(CC(O)=O)c(C)c2)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C24H27F3N2O4/c1-4-6-18-20(10-9-19-22(18)33-28-23(19)24(25,26)27)32-12-5-11-29(3)17-8-7-16(14-21(30)31)15(2)13-17/h7-10,13H,4-6,11-12,14H2,1-3H3,(H,30,31)
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n/an/a 117n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Activity at LXR alpha as beta-lactamase transactivation in CHO cells


Bioorg Med Chem Lett 16: 3055-60 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.050
BindingDB Entry DOI: 10.7270/Q20V8CD6
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM50184254
PNG
(2-(4-(methyl(3-(7-propyl-3-(trifluoromethyl)benzo[...)
Show SMILES CCCc1c(OCCCN(C)c2ccc(CC(O)=O)cc2)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C23H25F3N2O4/c1-3-5-17-19(11-10-18-21(17)32-27-22(18)23(24,25)26)31-13-4-12-28(2)16-8-6-15(7-9-16)14-20(29)30/h6-11H,3-5,12-14H2,1-2H3,(H,29,30)
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n/an/a 18n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Activity at LXR alpha as beta-lactamase transactivation in CHO cells


Bioorg Med Chem Lett 16: 3055-60 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.050
BindingDB Entry DOI: 10.7270/Q20V8CD6
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50184258
PNG
(2-(3-methyl-4-(methyl(3-(7-propyl-3-(trifluorometh...)
Show SMILES CCCc1c(OCCCN(C)c2ccc(CC(O)=O)cc2C)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C24H27F3N2O4/c1-4-6-17-20(10-8-18-22(17)33-28-23(18)24(25,26)27)32-12-5-11-29(3)19-9-7-16(13-15(19)2)14-21(30)31/h7-10,13H,4-6,11-12,14H2,1-3H3,(H,30,31)
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n/an/a 600n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PPAR alpha


Bioorg Med Chem Lett 16: 3055-60 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.050
BindingDB Entry DOI: 10.7270/Q20V8CD6
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM50184261
PNG
(2-(4-(3-(7-propyl-3-(trifluoromethyl)benzo[d]isoxa...)
Show SMILES CCCc1c(OCCCOc2ccc(CC(O)=O)cc2)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C22H22F3NO5/c1-2-4-16-18(10-9-17-20(16)31-26-21(17)22(23,24)25)30-12-3-11-29-15-7-5-14(6-8-15)13-19(27)28/h5-10H,2-4,11-13H2,1H3,(H,27,28)
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n/an/a 730n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Activity at LXR alpha as beta-lactamase transactivation in CHO cells


Bioorg Med Chem Lett 16: 3055-60 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.050
BindingDB Entry DOI: 10.7270/Q20V8CD6
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM50184252
PNG
(2-(6-(methyl(3-(7-propyl-3-(trifluoromethyl)benzo[...)
Show SMILES CCCc1c(OCCCN(C)c2ccc(CC(O)=O)cn2)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C22H24F3N3O4/c1-3-5-15-17(8-7-16-20(15)32-27-21(16)22(23,24)25)31-11-4-10-28(2)18-9-6-14(13-26-18)12-19(29)30/h6-9,13H,3-5,10-12H2,1-2H3,(H,29,30)
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n/an/a 105n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Activity at LXR alpha as beta-lactamase transactivation in CHO cells


Bioorg Med Chem Lett 16: 3055-60 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.050
BindingDB Entry DOI: 10.7270/Q20V8CD6
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM50184260
PNG
(2-(3-chloro-4-(methyl(3-(7-propyl-3-(trifluorometh...)
Show SMILES CCCc1c(OCCCN(C)c2ccc(CC(O)=O)cc2Cl)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C23H24ClF3N2O4/c1-3-5-15-19(9-7-16-21(15)33-28-22(16)23(25,26)27)32-11-4-10-29(2)18-8-6-14(12-17(18)24)13-20(30)31/h6-9,12H,3-5,10-11,13H2,1-2H3,(H,30,31)
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n/an/a 630n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Activity at LXR alpha as beta-lactamase transactivation in CHO cells


Bioorg Med Chem Lett 16: 3055-60 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.050
BindingDB Entry DOI: 10.7270/Q20V8CD6
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM50184265
PNG
(2-(4-(N-(3-(7-propyl-3-(trifluoromethyl)benzo[d]is...)
Show SMILES CCCc1c(OCCCN(C(C)=O)c2ccc(CC(O)=O)cc2)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C24H25F3N2O5/c1-3-5-18-20(11-10-19-22(18)34-28-23(19)24(25,26)27)33-13-4-12-29(15(2)30)17-8-6-16(7-9-17)14-21(31)32/h6-11H,3-5,12-14H2,1-2H3,(H,31,32)
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n/an/a 6.40E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Activity at LXR alpha as beta-lactamase transactivation in CHO cells


Bioorg Med Chem Lett 16: 3055-60 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.050
BindingDB Entry DOI: 10.7270/Q20V8CD6
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM50184253
PNG
(2-(3-(methyl(3-(7-propyl-3-(trifluoromethyl)benzo[...)
Show SMILES CCCc1c(OCCCN(C)c2cccc(CC(O)=O)c2)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C23H25F3N2O4/c1-3-6-17-19(10-9-18-21(17)32-27-22(18)23(24,25)26)31-12-5-11-28(2)16-8-4-7-15(13-16)14-20(29)30/h4,7-10,13H,3,5-6,11-12,14H2,1-2H3,(H,29,30)
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PubMed
n/an/a 102n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Activity at LXR alpha as beta-lactamase transactivation in CHO cells


Bioorg Med Chem Lett 16: 3055-60 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.050
BindingDB Entry DOI: 10.7270/Q20V8CD6
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM50184267
PNG
(2-(4-(N-(3-(7-propyl-3-(trifluoromethyl)benzo[d]is...)
Show SMILES CCCc1c(OCCCN(C=O)c2ccc(CC(O)=O)cc2)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C23H23F3N2O5/c1-2-4-17-19(10-9-18-21(17)33-27-22(18)23(24,25)26)32-12-3-11-28(14-29)16-7-5-15(6-8-16)13-20(30)31/h5-10,14H,2-4,11-13H2,1H3,(H,30,31)
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n/an/a 6.40E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Activity at LXR alpha as beta-lactamase transactivation in CHO cells


Bioorg Med Chem Lett 16: 3055-60 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.050
BindingDB Entry DOI: 10.7270/Q20V8CD6
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50184261
PNG
(2-(4-(3-(7-propyl-3-(trifluoromethyl)benzo[d]isoxa...)
Show SMILES CCCc1c(OCCCOc2ccc(CC(O)=O)cc2)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C22H22F3NO5/c1-2-4-16-18(10-9-17-20(16)31-26-21(17)22(23,24)25)30-12-3-11-29-15-7-5-14(6-8-15)13-19(27)28/h5-10H,2-4,11-13H2,1H3,(H,27,28)
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n/an/a 8n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PPAR delta


Bioorg Med Chem Lett 16: 3055-60 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.050
BindingDB Entry DOI: 10.7270/Q20V8CD6
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM50184269
PNG
(CHEMBL207236 | N-methyl-N-(3-(7-propyl-3-(trifluor...)
Show SMILES CCCc1c(OCCCN(C)c2ccccc2)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C21H23F3N2O2/c1-3-8-16-18(12-11-17-19(16)28-25-20(17)21(22,23)24)27-14-7-13-26(2)15-9-5-4-6-10-15/h4-6,9-12H,3,7-8,13-14H2,1-2H3
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n/an/a 372n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Activity at LXR alpha as beta-lactamase transactivation in CHO cells


Bioorg Med Chem Lett 16: 3055-60 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.050
BindingDB Entry DOI: 10.7270/Q20V8CD6
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50184258
PNG
(2-(3-methyl-4-(methyl(3-(7-propyl-3-(trifluorometh...)
Show SMILES CCCc1c(OCCCN(C)c2ccc(CC(O)=O)cc2C)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C24H27F3N2O4/c1-4-6-17-20(10-8-18-22(17)33-28-23(18)24(25,26)27)32-12-5-11-29(3)19-9-7-16(13-15(19)2)14-21(30)31/h7-10,13H,4-6,11-12,14H2,1-3H3,(H,30,31)
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n/an/a 39n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PPAR delta


Bioorg Med Chem Lett 16: 3055-60 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.050
BindingDB Entry DOI: 10.7270/Q20V8CD6
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM50184251
PNG
(4-(methyl(3-(7-propyl-3-(trifluoromethyl)benzo[d]i...)
Show SMILES CCCc1c(OCCCN(C)c2ccc(cc2)C(O)=O)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C22H23F3N2O4/c1-3-5-16-18(11-10-17-19(16)31-26-20(17)22(23,24)25)30-13-4-12-27(2)15-8-6-14(7-9-15)21(28)29/h6-11H,3-5,12-13H2,1-2H3,(H,28,29)
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n/an/a 79n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Activity at LXR alpha as beta-lactamase transactivation in CHO cells


Bioorg Med Chem Lett 16: 3055-60 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.050
BindingDB Entry DOI: 10.7270/Q20V8CD6
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50184253
PNG
(2-(3-(methyl(3-(7-propyl-3-(trifluoromethyl)benzo[...)
Show SMILES CCCc1c(OCCCN(C)c2cccc(CC(O)=O)c2)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C23H25F3N2O4/c1-3-6-17-19(10-9-18-21(17)32-27-22(18)23(24,25)26)31-12-5-11-28(2)16-8-4-7-15(13-16)14-20(29)30/h4,7-10,13H,3,5-6,11-12,14H2,1-2H3,(H,29,30)
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n/an/a 93n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PPAR delta


Bioorg Med Chem Lett 16: 3055-60 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.050
BindingDB Entry DOI: 10.7270/Q20V8CD6
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM50184258
PNG
(2-(3-methyl-4-(methyl(3-(7-propyl-3-(trifluorometh...)
Show SMILES CCCc1c(OCCCN(C)c2ccc(CC(O)=O)cc2C)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C24H27F3N2O4/c1-4-6-17-20(10-8-18-22(17)33-28-23(18)24(25,26)27)32-12-5-11-29(3)19-9-7-16(13-15(19)2)14-21(30)31/h7-10,13H,4-6,11-12,14H2,1-3H3,(H,30,31)
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n/an/a 580n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Activity at LXR alpha as beta-lactamase transactivation in CHO cells


Bioorg Med Chem Lett 16: 3055-60 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.050
BindingDB Entry DOI: 10.7270/Q20V8CD6
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50184256
PNG
(2-(2-methyl-4-(methyl(3-(7-propyl-3-(trifluorometh...)
Show SMILES CCCc1c(OCCCN(C)c2ccc(CC(O)=O)c(C)c2)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C24H27F3N2O4/c1-4-6-18-20(10-9-19-22(18)33-28-23(19)24(25,26)27)32-12-5-11-29(3)17-8-7-16(14-21(30)31)15(2)13-17/h7-10,13H,4-6,11-12,14H2,1-3H3,(H,30,31)
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n/an/a 4.60E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PPAR gamma


Bioorg Med Chem Lett 16: 3055-60 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.050
BindingDB Entry DOI: 10.7270/Q20V8CD6
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50184254
PNG
(2-(4-(methyl(3-(7-propyl-3-(trifluoromethyl)benzo[...)
Show SMILES CCCc1c(OCCCN(C)c2ccc(CC(O)=O)cc2)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C23H25F3N2O4/c1-3-5-17-19(11-10-18-21(17)32-27-22(18)23(24,25)26)31-13-4-12-28(2)16-8-6-15(7-9-16)14-20(29)30/h6-11H,3-5,12-14H2,1-2H3,(H,29,30)
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n/an/a 2.90E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PPAR gamma


Bioorg Med Chem Lett 16: 3055-60 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.050
BindingDB Entry DOI: 10.7270/Q20V8CD6
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50184260
PNG
(2-(3-chloro-4-(methyl(3-(7-propyl-3-(trifluorometh...)
Show SMILES CCCc1c(OCCCN(C)c2ccc(CC(O)=O)cc2Cl)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C23H24ClF3N2O4/c1-3-5-15-19(9-7-16-21(15)33-28-22(16)23(25,26)27)32-11-4-10-29(2)18-8-6-14(12-17(18)24)13-20(30)31/h6-9,12H,3-5,10-11,13H2,1-2H3,(H,30,31)
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n/an/a 49n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PPAR delta


Bioorg Med Chem Lett 16: 3055-60 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.050
BindingDB Entry DOI: 10.7270/Q20V8CD6
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50184261
PNG
(2-(4-(3-(7-propyl-3-(trifluoromethyl)benzo[d]isoxa...)
Show SMILES CCCc1c(OCCCOc2ccc(CC(O)=O)cc2)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C22H22F3NO5/c1-2-4-16-18(10-9-17-20(16)31-26-21(17)22(23,24)25)30-12-3-11-29-15-7-5-14(6-8-15)13-19(27)28/h5-10H,2-4,11-13H2,1H3,(H,27,28)
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n/an/a 19n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PPAR alpha


Bioorg Med Chem Lett 16: 3055-60 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.050
BindingDB Entry DOI: 10.7270/Q20V8CD6
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM50184259
PNG
(2-(2-chloro-4-(methyl(3-(7-propyl-3-(trifluorometh...)
Show SMILES CCCc1c(OCCCN(C)c2ccc(CC(O)=O)c(Cl)c2)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C23H24ClF3N2O4/c1-3-5-16-19(9-8-17-21(16)33-28-22(17)23(25,26)27)32-11-4-10-29(2)15-7-6-14(12-20(30)31)18(24)13-15/h6-9,13H,3-5,10-12H2,1-2H3,(H,30,31)
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n/an/a 12n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Activity at LXR alpha as beta-lactamase transactivation in CHO cells


Bioorg Med Chem Lett 16: 3055-60 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.050
BindingDB Entry DOI: 10.7270/Q20V8CD6
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50184250
PNG
(2-(4-(methyl(3-(7-propyl-3-(trifluoromethyl)benzo[...)
Show SMILES CCCc1c(OCCCN(C)c2ccc(CC(O)=O)c(c2)C(F)(F)F)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C24H24F6N2O4/c1-3-5-16-19(9-8-17-21(16)36-31-22(17)24(28,29)30)35-11-4-10-32(2)15-7-6-14(12-20(33)34)18(13-15)23(25,26)27/h6-9,13H,3-5,10-12H2,1-2H3,(H,33,34)
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n/an/a 140n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PPAR alpha


Bioorg Med Chem Lett 16: 3055-60 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.050
BindingDB Entry DOI: 10.7270/Q20V8CD6
More data for this
Ligand-Target Pair
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