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PubMed code 16529931

Compile data set for download or QSAR
Found 139 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
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50184263
PNG
(2-(3-chloro-4-(3-(7-propyl-3-(trifluoromethyl)benz...)
Show SMILES CCCc1c(OCCCOc2ccc(CC(O)=O)cc2Cl)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C22H21ClF3NO5/c1-2-4-14-17(8-6-15-20(14)32-27-21(15)22(24,25)26)30-9-3-10-31-18-7-5-13(11-16(18)23)12-19(28)29/h5-8,11H,2-4,9-10,12H2,1H3,(H,28,29)
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n/an/a 4n/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 delta (PPAR delta)


(Homo sapiens (Human))
BDBM50126018
PNG
(2-(3-chloro-4-(3-(7-propyl-3-(trifluoromethyl)benz...)
Show SMILES CCCc1c(OCCCSc2ccc(CC(O)=O)cc2Cl)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C22H21ClF3NO4S/c1-2-4-14-17(7-6-15-20(14)31-27-21(15)22(24,25)26)30-9-3-10-32-18-8-5-13(11-16(18)23)12-19(28)29/h5-8,11H,2-4,9-10,12H2,1H3,(H,28,29)
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n/an/a 4n/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))
BDBM50184249
PNG
(3-(1-(3-(7-propyl-3-(trifluoromethyl)benzo[d]isoxa...)
Show SMILES CCCc1c(OCCCn2ccc3cc(CCC(O)=O)ccc23)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C25H25F3N2O4/c1-2-4-18-21(9-7-19-23(18)34-29-24(19)25(26,27)28)33-14-3-12-30-13-11-17-15-16(5-8-20(17)30)6-10-22(31)32/h5,7-9,11,13,15H,2-4,6,10,12,14H2,1H3,(H,31,32)
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n/an/a 6n/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 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))
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))
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)
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50184257
PNG
(2-(2-oxo-1-(3-(7-propyl-3-(trifluoromethyl)benzo[d...)
Show SMILES CCCc1c(OCCCN2C(=O)Cc3cc(CC(O)=O)ccc23)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C24H23F3N2O5/c1-2-4-16-19(8-6-17-22(16)34-28-23(17)24(25,26)27)33-10-3-9-29-18-7-5-14(12-21(31)32)11-15(18)13-20(29)30/h5-8,11H,2-4,9-10,12-13H2,1H3,(H,31,32)
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n/an/a 13n/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))
BDBM50184255
PNG
(2-(1-(3-(7-propyl-3-(trifluoromethyl)benzo[d]isoxa...)
Show SMILES CCCc1c(OCCCn2ccc3cc(CC(O)=O)ccc23)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C24H23F3N2O4/c1-2-4-17-20(8-6-18-22(17)33-28-23(18)24(25,26)27)32-12-3-10-29-11-9-16-13-15(14-21(30)31)5-7-19(16)29/h5-9,11,13H,2-4,10,12,14H2,1H3,(H,30,31)
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n/an/a 16n/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))
BDBM50184255
PNG
(2-(1-(3-(7-propyl-3-(trifluoromethyl)benzo[d]isoxa...)
Show SMILES CCCc1c(OCCCn2ccc3cc(CC(O)=O)ccc23)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C24H23F3N2O4/c1-2-4-17-20(8-6-18-22(17)33-28-23(18)24(25,26)27)32-12-3-10-29-11-9-16-13-15(14-21(30)31)5-7-19(16)29/h5-9,11,13H,2-4,10,12,14H2,1H3,(H,30,31)
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n/an/a 16n/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))
BDBM50184274
PNG
(2-(4-(3-(7-propyl-3-(trifluoromethyl)benzo[d]isoxa...)
Show SMILES CCCc1c(OCCCNc2ccc(CC(O)=O)cc2)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C22H23F3N2O4/c1-2-4-16-18(10-9-17-20(16)31-27-21(17)22(23,24)25)30-12-3-11-26-15-7-5-14(6-8-15)13-19(28)29/h5-10,26H,2-4,11-13H2,1H3,(H,28,29)
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n/an/a 16n/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))
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))
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
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM50184249
PNG
(3-(1-(3-(7-propyl-3-(trifluoromethyl)benzo[d]isoxa...)
Show SMILES CCCc1c(OCCCn2ccc3cc(CCC(O)=O)ccc23)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C25H25F3N2O4/c1-2-4-18-21(9-7-19-23(18)34-29-24(19)25(26,27)28)33-14-3-12-30-13-11-17-15-16(5-8-20(17)30)6-10-22(31)32/h5,7-9,11,13,15H,2-4,6,10,12,14H2,1H3,(H,31,32)
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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
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM50184257
PNG
(2-(2-oxo-1-(3-(7-propyl-3-(trifluoromethyl)benzo[d...)
Show SMILES CCCc1c(OCCCN2C(=O)Cc3cc(CC(O)=O)ccc23)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C24H23F3N2O5/c1-2-4-16-19(8-6-17-22(16)34-28-23(17)24(25,26)27)33-10-3-9-29-18-7-5-14(12-21(31)32)11-15(18)13-20(29)30/h5-8,11H,2-4,9-10,12-13H2,1H3,(H,31,32)
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n/an/a 19n/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))
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
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50184248
PNG
(2-(1-(3-(7-propyl-3-(trifluoromethyl)benzo[d]isoxa...)
Show SMILES CCCc1c(OCCCn2ncc3cc(CC(O)=O)ccc23)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C23H22F3N3O4/c1-2-4-16-19(8-6-17-21(16)33-28-22(17)23(24,25)26)32-10-3-9-29-18-7-5-14(12-20(30)31)11-15(18)13-27-29/h5-8,11,13H,2-4,9-10,12H2,1H3,(H,30,31)
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n/an/a 24n/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))
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))
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))
BDBM50184270
PNG
(2-(2-(methyl(3-(7-propyl-3-(trifluoromethyl)benzo[...)
Show SMILES CCCc1c(OCCCN(C)c2ncc(CC(O)=O)cn2)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C21H23F3N4O4/c1-3-5-14-16(7-6-15-18(14)32-27-19(15)21(22,23)24)31-9-4-8-28(2)20-25-11-13(12-26-20)10-17(29)30/h6-7,11-12H,3-5,8-10H2,1-2H3,(H,29,30)
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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 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
3D
3D Structure (docked)
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50126018
PNG
(2-(3-chloro-4-(3-(7-propyl-3-(trifluoromethyl)benz...)
Show SMILES CCCc1c(OCCCSc2ccc(CC(O)=O)cc2Cl)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C22H21ClF3NO4S/c1-2-4-14-17(7-6-15-20(14)31-27-21(15)22(24,25)26)30-9-3-10-32-18-8-5-13(11-16(18)23)12-19(28)29/h5-8,11H,2-4,9-10,12H2,1H3,(H,28,29)
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n/an/a 28n/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))
BDBM50126018
PNG
(2-(3-chloro-4-(3-(7-propyl-3-(trifluoromethyl)benz...)
Show SMILES CCCc1c(OCCCSc2ccc(CC(O)=O)cc2Cl)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C22H21ClF3NO4S/c1-2-4-14-17(7-6-15-20(14)31-27-21(15)22(24,25)26)30-9-3-10-32-18-8-5-13(11-16(18)23)12-19(28)29/h5-8,11H,2-4,9-10,12H2,1H3,(H,28,29)
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n/an/a 32n/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 (crystal)
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM50184263
PNG
(2-(3-chloro-4-(3-(7-propyl-3-(trifluoromethyl)benz...)
Show SMILES CCCc1c(OCCCOc2ccc(CC(O)=O)cc2Cl)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C22H21ClF3NO5/c1-2-4-14-17(8-6-15-20(14)32-27-21(15)22(24,25)26)30-9-3-10-31-18-7-5-13(11-16(18)23)12-19(28)29/h5-8,11H,2-4,9-10,12H2,1H3,(H,28,29)
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n/an/a 39n/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))
BDBM50184273
PNG
(2-(5-(methyl(3-(7-propyl-3-(trifluoromethyl)benzo[...)
Show SMILES CCCc1c(OCCCN(C)c2cnc(CC(O)=O)cn2)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C21H23F3N4O4/c1-3-5-14-16(7-6-15-19(14)32-27-20(15)21(22,23)24)31-9-4-8-28(2)17-12-25-13(11-26-17)10-18(29)30/h6-7,11-12H,3-5,8-10H2,1-2H3,(H,29,30)
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n/an/a 40n/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 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
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50184270
PNG
(2-(2-(methyl(3-(7-propyl-3-(trifluoromethyl)benzo[...)
Show SMILES CCCc1c(OCCCN(C)c2ncc(CC(O)=O)cn2)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C21H23F3N4O4/c1-3-5-14-16(7-6-15-18(14)32-27-19(15)21(22,23)24)31-9-4-8-28(2)20-25-11-13(12-26-20)10-17(29)30/h6-7,11-12H,3-5,8-10H2,1-2H3,(H,29,30)
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n/an/a 55n/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 delta (PPAR delta)


(Homo sapiens (Human))
BDBM50184255
PNG
(2-(1-(3-(7-propyl-3-(trifluoromethyl)benzo[d]isoxa...)
Show SMILES CCCc1c(OCCCn2ccc3cc(CC(O)=O)ccc23)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C24H23F3N2O4/c1-2-4-17-20(8-6-18-22(17)33-28-23(18)24(25,26)27)32-12-3-10-29-11-9-16-13-15(14-21(30)31)5-7-19(16)29/h5-9,11,13H,2-4,10,12,14H2,1H3,(H,30,31)
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n/an/a 57n/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))
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))
BDBM50184263
PNG
(2-(3-chloro-4-(3-(7-propyl-3-(trifluoromethyl)benz...)
Show SMILES CCCc1c(OCCCOc2ccc(CC(O)=O)cc2Cl)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C22H21ClF3NO5/c1-2-4-14-17(8-6-15-20(14)32-27-21(15)22(24,25)26)30-9-3-10-31-18-7-5-13(11-16(18)23)12-19(28)29/h5-8,11H,2-4,9-10,12H2,1H3,(H,28,29)
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n/an/a 65n/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))
BDBM50184264
PNG
(2-(2-(methyl(3-(7-propyl-3-(trifluoromethyl)benzo[...)
Show SMILES CCCc1c(OCCCN(C)c2ncc(CC(O)=O)s2)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C20H22F3N3O4S/c1-3-5-13-15(7-6-14-17(13)30-25-18(14)20(21,22)23)29-9-4-8-26(2)19-24-11-12(31-19)10-16(27)28/h6-7,11H,3-5,8-10H2,1-2H3,(H,27,28)
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n/an/a 67n/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))
BDBM50184274
PNG
(2-(4-(3-(7-propyl-3-(trifluoromethyl)benzo[d]isoxa...)
Show SMILES CCCc1c(OCCCNc2ccc(CC(O)=O)cc2)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C22H23F3N2O4/c1-2-4-16-18(10-9-17-20(16)31-27-21(17)22(23,24)25)30-12-3-11-26-15-7-5-14(6-8-15)13-19(28)29/h5-10,26H,2-4,11-13H2,1H3,(H,28,29)
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n/an/a 68n/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))
BDBM50184249
PNG
(3-(1-(3-(7-propyl-3-(trifluoromethyl)benzo[d]isoxa...)
Show SMILES CCCc1c(OCCCn2ccc3cc(CCC(O)=O)ccc23)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C25H25F3N2O4/c1-2-4-18-21(9-7-19-23(18)34-29-24(19)25(26,27)28)33-14-3-12-30-13-11-17-15-16(5-8-20(17)30)6-10-22(31)32/h5,7-9,11,13,15H,2-4,6,10,12,14H2,1H3,(H,31,32)
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n/an/a 70n/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))
BDBM50184268
PNG
(1-(3-(7-propyl-3-(trifluoromethyl)benzo[d]isoxazol...)
Show SMILES CCCc1c(OCCCn2ccc3cc(ccc23)C(O)=O)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C23H21F3N2O4/c1-2-4-16-19(8-6-17-20(16)32-27-21(17)23(24,25)26)31-12-3-10-28-11-9-14-13-15(22(29)30)5-7-18(14)28/h5-9,11,13H,2-4,10,12H2,1H3,(H,29,30)
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n/an/a 72n/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))
BDBM50184248
PNG
(2-(1-(3-(7-propyl-3-(trifluoromethyl)benzo[d]isoxa...)
Show SMILES CCCc1c(OCCCn2ncc3cc(CC(O)=O)ccc23)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C23H22F3N3O4/c1-2-4-16-19(8-6-17-21(16)33-28-22(17)23(24,25)26)32-10-3-9-29-18-7-5-14(12-20(30)31)11-15(18)13-27-29/h5-8,11,13H,2-4,9-10,12H2,1H3,(H,30,31)
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n/an/a 73n/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))
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))
BDBM50184272
PNG
(2-(1-(3-(7-propyl-3-(trifluoromethyl)benzo[d]isoxa...)
Show SMILES CCCc1c(OCCCn2nnc3cc(CC(O)=O)ccc23)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C22H21F3N4O4/c1-2-4-14-18(8-6-15-20(14)33-27-21(15)22(23,24)25)32-10-3-9-29-17-7-5-13(12-19(30)31)11-16(17)26-28-29/h5-8,11H,2-4,9-10,12H2,1H3,(H,30,31)
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n/an/a 79n/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))
BDBM50184248
PNG
(2-(1-(3-(7-propyl-3-(trifluoromethyl)benzo[d]isoxa...)
Show SMILES CCCc1c(OCCCn2ncc3cc(CC(O)=O)ccc23)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C23H22F3N3O4/c1-2-4-16-19(8-6-17-21(16)33-28-22(17)23(24,25)26)32-10-3-9-29-18-7-5-14(12-20(30)31)11-15(18)13-27-29/h5-8,11,13H,2-4,9-10,12H2,1H3,(H,30,31)
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n/an/a 87n/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 delta (PPAR delta)


(Homo sapiens (Human))
BDBM50184274
PNG
(2-(4-(3-(7-propyl-3-(trifluoromethyl)benzo[d]isoxa...)
Show SMILES CCCc1c(OCCCNc2ccc(CC(O)=O)cc2)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C22H23F3N2O4/c1-2-4-16-18(10-9-17-20(16)31-27-21(17)22(23,24)25)30-12-3-11-26-15-7-5-14(6-8-15)13-19(28)29/h5-10,26H,2-4,11-13H2,1H3,(H,28,29)
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n/an/a 88n/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))
BDBM50184274
PNG
(2-(4-(3-(7-propyl-3-(trifluoromethyl)benzo[d]isoxa...)
Show SMILES CCCc1c(OCCCNc2ccc(CC(O)=O)cc2)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C22H23F3N2O4/c1-2-4-16-18(10-9-17-20(16)31-27-21(17)22(23,24)25)30-12-3-11-26-15-7-5-14(6-8-15)13-19(28)29/h5-10,26H,2-4,11-13H2,1H3,(H,28,29)
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n/an/a 89n/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))
BDBM50184273
PNG
(2-(5-(methyl(3-(7-propyl-3-(trifluoromethyl)benzo[...)
Show SMILES CCCc1c(OCCCN(C)c2cnc(CC(O)=O)cn2)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C21H23F3N4O4/c1-3-5-14-16(7-6-15-19(14)32-27-20(15)21(22,23)24)31-9-4-8-28(2)17-12-25-13(11-26-17)10-18(29)30/h6-7,11-12H,3-5,8-10H2,1-2H3,(H,29,30)
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n/an/a 90n/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
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))
BDBM50184262
PNG
(2-oxo-1-(3-(7-propyl-3-(trifluoromethyl)benzo[d]is...)
Show SMILES CCCc1c(OCCCN2C(=O)Cc3cc(ccc23)C(O)=O)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C23H21F3N2O5/c1-2-4-15-18(8-6-16-20(15)33-27-21(16)23(24,25)26)32-10-3-9-28-17-7-5-13(22(30)31)11-14(17)12-19(28)29/h5-8,11H,2-4,9-10,12H2,1H3,(H,30,31)
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n/an/a 97n/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))
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))
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
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50184264
PNG
(2-(2-(methyl(3-(7-propyl-3-(trifluoromethyl)benzo[...)
Show SMILES CCCc1c(OCCCN(C)c2ncc(CC(O)=O)s2)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C20H22F3N3O4S/c1-3-5-13-15(7-6-14-17(13)30-25-18(14)20(21,22)23)29-9-4-8-26(2)19-24-11-12(31-19)10-16(27)28/h6-7,11H,3-5,8-10H2,1-2H3,(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


(Homo sapiens (human))
BDBM50184274
PNG
(2-(4-(3-(7-propyl-3-(trifluoromethyl)benzo[d]isoxa...)
Show SMILES CCCc1c(OCCCNc2ccc(CC(O)=O)cc2)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C22H23F3N2O4/c1-2-4-16-18(10-9-17-20(16)31-27-21(17)22(23,24)25)30-12-3-11-26-15-7-5-14(6-8-15)13-19(28)29/h5-10,26H,2-4,11-13H2,1H3,(H,28,29)
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n/an/a 102n/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
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 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))
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))
BDBM50184266
PNG
(2-(4-(ethyl(3-(7-propyl-3-(trifluoromethyl)benzo[d...)
Show SMILES CCCc1c(OCCCN(CC)c2ccc(CC(O)=O)cc2)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C24H27F3N2O4/c1-3-6-18-20(12-11-19-22(18)33-28-23(19)24(25,26)27)32-14-5-13-29(4-2)17-9-7-16(8-10-17)15-21(30)31/h7-12H,3-6,13-15H2,1-2H3,(H,30,31)
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n/an/a 110n/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))
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
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
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50184266
PNG
(2-(4-(ethyl(3-(7-propyl-3-(trifluoromethyl)benzo[d...)
Show SMILES CCCc1c(OCCCN(CC)c2ccc(CC(O)=O)cc2)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C24H27F3N2O4/c1-3-6-18-20(12-11-19-22(18)33-28-23(19)24(25,26)27)32-14-5-13-29(4-2)17-9-7-16(8-10-17)15-21(30)31/h7-12H,3-6,13-15H2,1-2H3,(H,30,31)
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n/an/a 140n/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 delta (PPAR delta)


(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 150n/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))
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))
BDBM50184275
PNG
(2-(1-(3-(7-propyl-3-(trifluoromethyl)benzo[d]isoxa...)
Show SMILES CCCc1c(OCCCn2cnc3cc(CC(O)=O)ccc23)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C23H22F3N3O4/c1-2-4-15-19(8-6-16-21(15)33-28-22(16)23(24,25)26)32-10-3-9-29-13-27-17-11-14(12-20(30)31)5-7-18(17)29/h5-8,11,13H,2-4,9-10,12H2,1H3,(H,30,31)
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n/an/a 180n/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))
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
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50126018
PNG
(2-(3-chloro-4-(3-(7-propyl-3-(trifluoromethyl)benz...)
Show SMILES CCCc1c(OCCCSc2ccc(CC(O)=O)cc2Cl)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C22H21ClF3NO4S/c1-2-4-14-17(7-6-15-20(14)31-27-21(15)22(24,25)26)30-9-3-10-32-18-8-5-13(11-16(18)23)12-19(28)29/h5-8,11H,2-4,9-10,12H2,1H3,(H,28,29)
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n/an/a 195n/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
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50184268
PNG
(1-(3-(7-propyl-3-(trifluoromethyl)benzo[d]isoxazol...)
Show SMILES CCCc1c(OCCCn2ccc3cc(ccc23)C(O)=O)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C23H21F3N2O4/c1-2-4-16-19(8-6-17-20(16)32-27-21(17)23(24,25)26)31-12-3-10-28-11-9-14-13-15(22(29)30)5-7-18(14)28/h5-9,11,13H,2-4,10,12H2,1H3,(H,29,30)
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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))
BDBM50184263
PNG
(2-(3-chloro-4-(3-(7-propyl-3-(trifluoromethyl)benz...)
Show SMILES CCCc1c(OCCCOc2ccc(CC(O)=O)cc2Cl)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C22H21ClF3NO5/c1-2-4-14-17(8-6-15-20(14)32-27-21(15)22(24,25)26)30-9-3-10-31-18-7-5-13(11-16(18)23)12-19(28)29/h5-8,11H,2-4,9-10,12H2,1H3,(H,28,29)
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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
Peroxisome proliferator-activated receptor


(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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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 alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50126018
PNG
(2-(3-chloro-4-(3-(7-propyl-3-(trifluoromethyl)benz...)
Show SMILES CCCc1c(OCCCSc2ccc(CC(O)=O)cc2Cl)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C22H21ClF3NO4S/c1-2-4-14-17(7-6-15-20(14)31-27-21(15)22(24,25)26)30-9-3-10-32-18-8-5-13(11-16(18)23)12-19(28)29/h5-8,11H,2-4,9-10,12H2,1H3,(H,28,29)
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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
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50184263
PNG
(2-(3-chloro-4-(3-(7-propyl-3-(trifluoromethyl)benz...)
Show SMILES CCCc1c(OCCCOc2ccc(CC(O)=O)cc2Cl)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C22H21ClF3NO5/c1-2-4-14-17(8-6-15-20(14)32-27-21(15)22(24,25)26)30-9-3-10-31-18-7-5-13(11-16(18)23)12-19(28)29/h5-8,11H,2-4,9-10,12H2,1H3,(H,28,29)
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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 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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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
Peroxisome proliferator-activated receptor delta (PPAR delta)


(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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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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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))
BDBM50184272
PNG
(2-(1-(3-(7-propyl-3-(trifluoromethyl)benzo[d]isoxa...)
Show SMILES CCCc1c(OCCCn2nnc3cc(CC(O)=O)ccc23)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C22H21F3N4O4/c1-2-4-14-18(8-6-15-20(14)33-27-21(15)22(23,24)25)32-10-3-9-29-17-7-5-13(12-19(30)31)11-16(17)26-28-29/h5-8,11H,2-4,9-10,12H2,1H3,(H,30,31)
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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))
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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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))
BDBM50184255
PNG
(2-(1-(3-(7-propyl-3-(trifluoromethyl)benzo[d]isoxa...)
Show SMILES CCCc1c(OCCCn2ccc3cc(CC(O)=O)ccc23)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C24H23F3N2O4/c1-2-4-17-20(8-6-18-22(17)33-28-23(18)24(25,26)27)32-12-3-10-29-11-9-16-13-15(14-21(30)31)5-7-19(16)29/h5-9,11,13H,2-4,10,12,14H2,1H3,(H,30,31)
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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))
BDBM50184272
PNG
(2-(1-(3-(7-propyl-3-(trifluoromethyl)benzo[d]isoxa...)
Show SMILES CCCc1c(OCCCn2nnc3cc(CC(O)=O)ccc23)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C22H21F3N4O4/c1-2-4-14-18(8-6-15-20(14)33-27-21(15)22(23,24)25)32-10-3-9-29-17-7-5-13(12-19(30)31)11-16(17)26-28-29/h5-8,11H,2-4,9-10,12H2,1H3,(H,30,31)
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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))
BDBM50184275
PNG
(2-(1-(3-(7-propyl-3-(trifluoromethyl)benzo[d]isoxa...)
Show SMILES CCCc1c(OCCCn2cnc3cc(CC(O)=O)ccc23)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C23H22F3N3O4/c1-2-4-15-19(8-6-16-21(15)33-28-22(16)23(24,25)26)32-10-3-9-29-13-27-17-11-14(12-20(30)31)5-7-18(17)29/h5-8,11,13H,2-4,9-10,12H2,1H3,(H,30,31)
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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))
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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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))
BDBM50184249
PNG
(3-(1-(3-(7-propyl-3-(trifluoromethyl)benzo[d]isoxa...)
Show SMILES CCCc1c(OCCCn2ccc3cc(CCC(O)=O)ccc23)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C25H25F3N2O4/c1-2-4-18-21(9-7-19-23(18)34-29-24(19)25(26,27)28)33-14-3-12-30-13-11-17-15-16(5-8-20(17)30)6-10-22(31)32/h5,7-9,11,13,15H,2-4,6,10,12,14H2,1H3,(H,31,32)
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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
Peroxisome proliferator-activated receptor


(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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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
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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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))
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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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 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))
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))
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))
BDBM50184262
PNG
(2-oxo-1-(3-(7-propyl-3-(trifluoromethyl)benzo[d]is...)
Show SMILES CCCc1c(OCCCN2C(=O)Cc3cc(ccc23)C(O)=O)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C23H21F3N2O5/c1-2-4-15-18(8-6-16-20(15)33-27-21(16)23(24,25)26)32-10-3-9-28-17-7-5-13(22(30)31)11-14(17)12-19(28)29/h5-8,11H,2-4,9-10,12H2,1H3,(H,30,31)
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n/an/a 700n/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))
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)
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50184248
PNG
(2-(1-(3-(7-propyl-3-(trifluoromethyl)benzo[d]isoxa...)
Show SMILES CCCc1c(OCCCn2ncc3cc(CC(O)=O)ccc23)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C23H22F3N3O4/c1-2-4-16-19(8-6-17-21(16)33-28-22(17)23(24,25)26)32-10-3-9-29-18-7-5-14(12-20(30)31)11-15(18)13-27-29/h5-8,11,13H,2-4,9-10,12H2,1H3,(H,30,31)
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n/an/a 780n/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
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(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 870n/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))
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
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50184249
PNG
(3-(1-(3-(7-propyl-3-(trifluoromethyl)benzo[d]isoxa...)
Show SMILES CCCc1c(OCCCn2ccc3cc(CCC(O)=O)ccc23)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C25H25F3N2O4/c1-2-4-18-21(9-7-19-23(18)34-29-24(19)25(26,27)28)33-14-3-12-30-13-11-17-15-16(5-8-20(17)30)6-10-22(31)32/h5,7-9,11,13,15H,2-4,6,10,12,14H2,1H3,(H,31,32)
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n/an/a 1.20E+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))
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 1.40E+3n/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))
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 1.50E+3n/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
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50184275
PNG
(2-(1-(3-(7-propyl-3-(trifluoromethyl)benzo[d]isoxa...)
Show SMILES CCCc1c(OCCCn2cnc3cc(CC(O)=O)ccc23)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C23H22F3N3O4/c1-2-4-15-19(8-6-16-21(15)33-28-22(16)23(24,25)26)32-10-3-9-29-13-27-17-11-14(12-20(30)31)5-7-18(17)29/h5-8,11,13H,2-4,9-10,12H2,1H3,(H,30,31)
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n/an/a 1.80E+3n/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


(Homo sapiens (human))
BDBM50184255
PNG
(2-(1-(3-(7-propyl-3-(trifluoromethyl)benzo[d]isoxa...)
Show SMILES CCCc1c(OCCCn2ccc3cc(CC(O)=O)ccc23)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C24H23F3N2O4/c1-2-4-17-20(8-6-18-22(17)33-28-23(18)24(25,26)27)32-12-3-10-29-11-9-16-13-15(14-21(30)31)5-7-19(16)29/h5-9,11,13H,2-4,10,12,14H2,1H3,(H,30,31)
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n/an/a 1.90E+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 alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50184266
PNG
(2-(4-(ethyl(3-(7-propyl-3-(trifluoromethyl)benzo[d...)
Show SMILES CCCc1c(OCCCN(CC)c2ccc(CC(O)=O)cc2)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C24H27F3N2O4/c1-3-6-18-20(12-11-19-22(18)33-28-23(19)24(25,26)27)32-14-5-13-29(4-2)17-9-7-16(8-10-17)15-21(30)31/h7-12H,3-6,13-15H2,1-2H3,(H,30,31)
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n/an/a 2.60E+3n/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
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


(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 3.00E+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 alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50184272
PNG
(2-(1-(3-(7-propyl-3-(trifluoromethyl)benzo[d]isoxa...)
Show SMILES CCCc1c(OCCCn2nnc3cc(CC(O)=O)ccc23)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C22H21F3N4O4/c1-2-4-14-18(8-6-15-20(14)33-27-21(15)22(23,24)25)32-10-3-9-29-17-7-5-13(12-19(30)31)11-16(17)26-28-29/h5-8,11H,2-4,9-10,12H2,1H3,(H,30,31)
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n/an/a 4.40E+3n/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
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
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))
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 alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50184268
PNG
(1-(3-(7-propyl-3-(trifluoromethyl)benzo[d]isoxazol...)
Show SMILES CCCc1c(OCCCn2ccc3cc(ccc23)C(O)=O)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C23H21F3N2O4/c1-2-4-16-19(8-6-17-20(16)32-27-21(17)23(24,25)26)31-12-3-10-28-11-9-14-13-15(22(29)30)5-7-18(14)28/h5-9,11,13H,2-4,10,12H2,1H3,(H,29,30)
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n/an/a 8.30E+3n/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
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50184266
PNG
(2-(4-(ethyl(3-(7-propyl-3-(trifluoromethyl)benzo[d...)
Show SMILES CCCc1c(OCCCN(CC)c2ccc(CC(O)=O)cc2)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C24H27F3N2O4/c1-3-6-18-20(12-11-19-22(18)33-28-23(19)24(25,26)27)32-14-5-13-29(4-2)17-9-7-16(8-10-17)15-21(30)31/h7-12H,3-6,13-15H2,1-2H3,(H,30,31)
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n/an/a 8.60E+3n/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
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50184257
PNG
(2-(2-oxo-1-(3-(7-propyl-3-(trifluoromethyl)benzo[d...)
Show SMILES CCCc1c(OCCCN2C(=O)Cc3cc(CC(O)=O)ccc23)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C24H23F3N2O5/c1-2-4-16-19(8-6-17-22(16)34-28-23(17)24(25,26)27)33-10-3-9-29-18-7-5-14(12-21(31)32)11-15(18)13-20(29)30/h5-8,11H,2-4,9-10,12-13H2,1H3,(H,31,32)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of IKr


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
Pregnane X receptor (PXR)


(Homo sapiens (Human))
BDBM50184257
PNG
(2-(2-oxo-1-(3-(7-propyl-3-(trifluoromethyl)benzo[d...)
Show SMILES CCCc1c(OCCCN2C(=O)Cc3cc(CC(O)=O)ccc23)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C24H23F3N2O5/c1-2-4-16-19(8-6-17-22(16)34-28-23(17)24(25,26)27)33-10-3-9-29-18-7-5-14(12-21(31)32)11-15(18)13-20(29)30/h5-8,11H,2-4,9-10,12-13H2,1H3,(H,31,32)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PXR


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))
BDBM50184273
PNG
(2-(5-(methyl(3-(7-propyl-3-(trifluoromethyl)benzo[...)
Show SMILES CCCc1c(OCCCN(C)c2cnc(CC(O)=O)cn2)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C21H23F3N4O4/c1-3-5-14-16(7-6-15-19(14)32-27-20(15)21(22,23)24)31-9-4-8-28(2)17-12-25-13(11-26-17)10-18(29)30/h6-7,11-12H,3-5,8-10H2,1-2H3,(H,29,30)
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n/an/an/an/a 150n/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))
BDBM50184270
PNG
(2-(2-(methyl(3-(7-propyl-3-(trifluoromethyl)benzo[...)
Show SMILES CCCc1c(OCCCN(C)c2ncc(CC(O)=O)cn2)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C21H23F3N4O4/c1-3-5-14-16(7-6-15-18(14)32-27-19(15)21(22,23)24)31-9-4-8-28(2)20-25-11-13(12-26-20)10-17(29)30/h6-7,11-12H,3-5,8-10H2,1-2H3,(H,29,30)
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n/an/an/an/a 470n/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))
BDBM50184257
PNG
(2-(2-oxo-1-(3-(7-propyl-3-(trifluoromethyl)benzo[d...)
Show SMILES CCCc1c(OCCCN2C(=O)Cc3cc(CC(O)=O)ccc23)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C24H23F3N2O5/c1-2-4-16-19(8-6-17-22(16)34-28-23(17)24(25,26)27)33-10-3-9-29-18-7-5-14(12-21(31)32)11-15(18)13-20(29)30/h5-8,11H,2-4,9-10,12-13H2,1H3,(H,31,32)
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n/an/an/an/a 140n/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))
BDBM50184270
PNG
(2-(2-(methyl(3-(7-propyl-3-(trifluoromethyl)benzo[...)
Show SMILES CCCc1c(OCCCN(C)c2ncc(CC(O)=O)cn2)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C21H23F3N4O4/c1-3-5-14-16(7-6-15-18(14)32-27-19(15)21(22,23)24)31-9-4-8-28(2)20-25-11-13(12-26-20)10-17(29)30/h6-7,11-12H,3-5,8-10H2,1-2H3,(H,29,30)
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n/an/an/an/a 620n/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))
BDBM50184274
PNG
(2-(4-(3-(7-propyl-3-(trifluoromethyl)benzo[d]isoxa...)
Show SMILES CCCc1c(OCCCNc2ccc(CC(O)=O)cc2)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C22H23F3N2O4/c1-2-4-16-18(10-9-17-20(16)31-27-21(17)22(23,24)25)30-12-3-11-26-15-7-5-14(6-8-15)13-19(28)29/h5-10,26H,2-4,11-13H2,1H3,(H,28,29)
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n/an/an/an/a 7.70E+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))
BDBM50184249
PNG
(3-(1-(3-(7-propyl-3-(trifluoromethyl)benzo[d]isoxa...)
Show SMILES CCCc1c(OCCCn2ccc3cc(CCC(O)=O)ccc23)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C25H25F3N2O4/c1-2-4-18-21(9-7-19-23(18)34-29-24(19)25(26,27)28)33-14-3-12-30-13-11-17-15-16(5-8-20(17)30)6-10-22(31)32/h5,7-9,11,13,15H,2-4,6,10,12,14H2,1H3,(H,31,32)
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n/an/an/an/a 700n/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/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))
BDBM50184272
PNG
(2-(1-(3-(7-propyl-3-(trifluoromethyl)benzo[d]isoxa...)
Show SMILES CCCc1c(OCCCn2nnc3cc(CC(O)=O)ccc23)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C22H21F3N4O4/c1-2-4-14-18(8-6-15-20(14)33-27-21(15)22(23,24)25)32-10-3-9-29-17-7-5-13(12-19(30)31)11-16(17)26-28-29/h5-8,11H,2-4,9-10,12H2,1H3,(H,30,31)
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n/an/an/an/a 2.30E+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))
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))
BDBM50184255
PNG
(2-(1-(3-(7-propyl-3-(trifluoromethyl)benzo[d]isoxa...)
Show SMILES CCCc1c(OCCCn2ccc3cc(CC(O)=O)ccc23)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C24H23F3N2O4/c1-2-4-17-20(8-6-18-22(17)33-28-23(18)24(25,26)27)32-12-3-10-29-11-9-16-13-15(14-21(30)31)5-7-19(16)29/h5-9,11,13H,2-4,10,12,14H2,1H3,(H,30,31)
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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 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))
BDBM50184262
PNG
(2-oxo-1-(3-(7-propyl-3-(trifluoromethyl)benzo[d]is...)
Show SMILES CCCc1c(OCCCN2C(=O)Cc3cc(ccc23)C(O)=O)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C23H21F3N2O5/c1-2-4-15-18(8-6-16-20(15)33-27-21(16)23(24,25)26)32-10-3-9-28-17-7-5-13(22(30)31)11-14(17)12-19(28)29/h5-8,11H,2-4,9-10,12H2,1H3,(H,30,31)
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n/an/an/an/a 3.00E+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))
BDBM50184275
PNG
(2-(1-(3-(7-propyl-3-(trifluoromethyl)benzo[d]isoxa...)
Show SMILES CCCc1c(OCCCn2cnc3cc(CC(O)=O)ccc23)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C23H22F3N3O4/c1-2-4-15-19(8-6-16-21(15)33-28-22(16)23(24,25)26)32-10-3-9-29-13-27-17-11-14(12-20(30)31)5-7-18(17)29/h5-8,11,13H,2-4,9-10,12H2,1H3,(H,30,31)
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n/an/an/an/a 8.60E+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))
BDBM50184272
PNG
(2-(1-(3-(7-propyl-3-(trifluoromethyl)benzo[d]isoxa...)
Show SMILES CCCc1c(OCCCn2nnc3cc(CC(O)=O)ccc23)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C22H21F3N4O4/c1-2-4-14-18(8-6-15-20(14)33-27-21(15)22(23,24)25)32-10-3-9-29-17-7-5-13(12-19(30)31)11-16(17)26-28-29/h5-8,11H,2-4,9-10,12H2,1H3,(H,30,31)
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n/an/an/an/a 1.70E+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))
BDBM50126018
PNG
(2-(3-chloro-4-(3-(7-propyl-3-(trifluoromethyl)benz...)
Show SMILES CCCc1c(OCCCSc2ccc(CC(O)=O)cc2Cl)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C22H21ClF3NO4S/c1-2-4-14-17(7-6-15-20(14)31-27-21(15)22(24,25)26)30-9-3-10-32-18-8-5-13(11-16(18)23)12-19(28)29/h5-8,11H,2-4,9-10,12H2,1H3,(H,28,29)
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n/an/an/an/a 5.90E+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 (crystal)
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))
BDBM50184248
PNG
(2-(1-(3-(7-propyl-3-(trifluoromethyl)benzo[d]isoxa...)
Show SMILES CCCc1c(OCCCn2ncc3cc(CC(O)=O)ccc23)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C23H22F3N3O4/c1-2-4-16-19(8-6-17-21(16)33-28-22(17)23(24,25)26)32-10-3-9-29-18-7-5-14(12-20(30)31)11-15(18)13-27-29/h5-8,11,13H,2-4,9-10,12H2,1H3,(H,30,31)
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n/an/an/an/a 580n/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))
BDBM50126018
PNG
(2-(3-chloro-4-(3-(7-propyl-3-(trifluoromethyl)benz...)
Show SMILES CCCc1c(OCCCSc2ccc(CC(O)=O)cc2Cl)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C22H21ClF3NO4S/c1-2-4-14-17(7-6-15-20(14)31-27-21(15)22(24,25)26)30-9-3-10-32-18-8-5-13(11-16(18)23)12-19(28)29/h5-8,11H,2-4,9-10,12H2,1H3,(H,28,29)
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n/an/an/an/a 7.30E+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))
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))
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))
BDBM50184274
PNG
(2-(4-(3-(7-propyl-3-(trifluoromethyl)benzo[d]isoxa...)
Show SMILES CCCc1c(OCCCNc2ccc(CC(O)=O)cc2)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C22H23F3N2O4/c1-2-4-16-18(10-9-17-20(16)31-27-21(17)22(23,24)25)30-12-3-11-26-15-7-5-14(6-8-15)13-19(28)29/h5-10,26H,2-4,11-13H2,1H3,(H,28,29)
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n/an/an/an/a 8.00E+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
3D
3D Structure (docked)
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))
BDBM50184264
PNG
(2-(2-(methyl(3-(7-propyl-3-(trifluoromethyl)benzo[...)
Show SMILES CCCc1c(OCCCN(C)c2ncc(CC(O)=O)s2)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C20H22F3N3O4S/c1-3-5-13-15(7-6-14-17(13)30-25-18(14)20(21,22)23)29-9-4-8-26(2)19-24-11-12(31-19)10-16(27)28/h6-7,11H,3-5,8-10H2,1-2H3,(H,27,28)
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n/an/an/an/a 650n/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))
BDBM50184248
PNG
(2-(1-(3-(7-propyl-3-(trifluoromethyl)benzo[d]isoxa...)
Show SMILES CCCc1c(OCCCn2ncc3cc(CC(O)=O)ccc23)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C23H22F3N3O4/c1-2-4-16-19(8-6-17-21(16)33-28-22(17)23(24,25)26)32-10-3-9-29-18-7-5-14(12-20(30)31)11-15(18)13-27-29/h5-8,11,13H,2-4,9-10,12H2,1H3,(H,30,31)
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n/an/an/an/a 480n/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))
BDBM50184263
PNG
(2-(3-chloro-4-(3-(7-propyl-3-(trifluoromethyl)benz...)
Show SMILES CCCc1c(OCCCOc2ccc(CC(O)=O)cc2Cl)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C22H21ClF3NO5/c1-2-4-14-17(8-6-15-20(14)32-27-21(15)22(24,25)26)30-9-3-10-31-18-7-5-13(11-16(18)23)12-19(28)29/h5-8,11H,2-4,9-10,12H2,1H3,(H,28,29)
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n/an/an/an/a 9.70E+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))
BDBM50184268
PNG
(1-(3-(7-propyl-3-(trifluoromethyl)benzo[d]isoxazol...)
Show SMILES CCCc1c(OCCCn2ccc3cc(ccc23)C(O)=O)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C23H21F3N2O4/c1-2-4-16-19(8-6-17-20(16)32-27-21(17)23(24,25)26)31-12-3-10-28-11-9-14-13-15(22(29)30)5-7-18(14)28/h5-9,11,13H,2-4,10,12H2,1H3,(H,29,30)
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n/an/an/an/a 2.80E+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))
BDBM50184249
PNG
(3-(1-(3-(7-propyl-3-(trifluoromethyl)benzo[d]isoxa...)
Show SMILES CCCc1c(OCCCn2ccc3cc(CCC(O)=O)ccc23)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C25H25F3N2O4/c1-2-4-18-21(9-7-19-23(18)34-29-24(19)25(26,27)28)33-14-3-12-30-13-11-17-15-16(5-8-20(17)30)6-10-22(31)32/h5,7-9,11,13,15H,2-4,6,10,12,14H2,1H3,(H,31,32)
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n/an/an/an/a 820n/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))
BDBM50184268
PNG
(1-(3-(7-propyl-3-(trifluoromethyl)benzo[d]isoxazol...)
Show SMILES CCCc1c(OCCCn2ccc3cc(ccc23)C(O)=O)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C23H21F3N2O4/c1-2-4-16-19(8-6-17-20(16)32-27-21(17)23(24,25)26)31-12-3-10-28-11-9-14-13-15(22(29)30)5-7-18(14)28/h5-9,11,13H,2-4,10,12H2,1H3,(H,29,30)
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n/an/an/an/a 1.90E+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))
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/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))
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))
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))
BDBM50184262
PNG
(2-oxo-1-(3-(7-propyl-3-(trifluoromethyl)benzo[d]is...)
Show SMILES CCCc1c(OCCCN2C(=O)Cc3cc(ccc23)C(O)=O)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C23H21F3N2O5/c1-2-4-15-18(8-6-16-20(15)33-27-21(16)23(24,25)26)32-10-3-9-28-17-7-5-13(22(30)31)11-14(17)12-19(28)29/h5-8,11H,2-4,9-10,12H2,1H3,(H,30,31)
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n/an/an/an/a 4.40E+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))
BDBM50184255
PNG
(2-(1-(3-(7-propyl-3-(trifluoromethyl)benzo[d]isoxa...)
Show SMILES CCCc1c(OCCCn2ccc3cc(CC(O)=O)ccc23)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C24H23F3N2O4/c1-2-4-17-20(8-6-18-22(17)33-28-23(18)24(25,26)27)32-12-3-10-29-11-9-16-13-15(14-21(30)31)5-7-19(16)29/h5-9,11,13H,2-4,10,12,14H2,1H3,(H,30,31)
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n/an/an/an/a 590n/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))
BDBM50184264
PNG
(2-(2-(methyl(3-(7-propyl-3-(trifluoromethyl)benzo[...)
Show SMILES CCCc1c(OCCCN(C)c2ncc(CC(O)=O)s2)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C20H22F3N3O4S/c1-3-5-13-15(7-6-14-17(13)30-25-18(14)20(21,22)23)29-9-4-8-26(2)19-24-11-12(31-19)10-16(27)28/h6-7,11H,3-5,8-10H2,1-2H3,(H,27,28)
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n/an/an/an/a 1.10E+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))
BDBM50184257
PNG
(2-(2-oxo-1-(3-(7-propyl-3-(trifluoromethyl)benzo[d...)
Show SMILES CCCc1c(OCCCN2C(=O)Cc3cc(CC(O)=O)ccc23)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C24H23F3N2O5/c1-2-4-16-19(8-6-17-22(16)34-28-23(17)24(25,26)27)33-10-3-9-29-18-7-5-14(12-21(31)32)11-15(18)13-20(29)30/h5-8,11H,2-4,9-10,12-13H2,1H3,(H,31,32)
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n/an/an/an/a 180n/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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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))
BDBM50184273
PNG
(2-(5-(methyl(3-(7-propyl-3-(trifluoromethyl)benzo[...)
Show SMILES CCCc1c(OCCCN(C)c2cnc(CC(O)=O)cn2)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C21H23F3N4O4/c1-3-5-14-16(7-6-15-19(14)32-27-20(15)21(22,23)24)31-9-4-8-28(2)17-12-25-13(11-26-17)10-18(29)30/h6-7,11-12H,3-5,8-10H2,1-2H3,(H,29,30)
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n/an/an/an/a 540n/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/an/an/a 3.60E+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
* indicates data uncertainty>20%