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6 similar compounds to monomer 50306078

Compile data set for download or QSAR
Wt: 466.8
BDBM50306076
Wt: 480.8
BDBM50306077
Wt: 460.4
BDBM50306058
Wt: 474.4
BDBM50306060
Wt: 474.4
BDBM50306062
Wt: 432.4
BDBM50306067

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50306076,50306077,50306058,50306060,50306062,50306067   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50306067
PNG
(1-(3-(3-(methylsulfonyl)phenoxy)phenyl)-4-(trifluo...)
Show SMILES CS(=O)(=O)c1cccc(Oc2cccc(c2)-n2cnc3c(cccc23)C(F)(F)F)c1
Show InChI InChI=1S/C21H15F3N2O3S/c1-30(27,28)17-8-3-7-16(12-17)29-15-6-2-5-14(11-15)26-13-25-20-18(21(22,23)24)9-4-10-19(20)26/h2-13H,1H3
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n/an/a 882n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]T0901317 from human recombinant LXRbeta LBD


Bioorg Med Chem Lett 20: 526-30 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.099
BindingDB Entry DOI: 10.7270/Q2HT2PDZ
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50306077
PNG
(1-(2-chloro-5-(3-(ethylsulfonyl)phenoxy)phenyl)-4-...)
Show SMILES CCS(=O)(=O)c1cccc(Oc2ccc(Cl)c(c2)-n2cnc3c(cccc23)C(F)(F)F)c1
Show InChI InChI=1S/C22H16ClF3N2O3S/c1-2-32(29,30)16-6-3-5-14(11-16)31-15-9-10-18(23)20(12-15)28-13-27-21-17(22(24,25)26)7-4-8-19(21)28/h3-13H,2H2,1H3
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n/an/a 35n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]T0901317 from human recombinant LXRbeta LBD


Bioorg Med Chem Lett 20: 526-30 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.099
BindingDB Entry DOI: 10.7270/Q2HT2PDZ
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50306060
PNG
(1-(3-(3-(isopropylsulfonyl)phenoxy)phenyl)-2-methy...)
Show SMILES CC(C)S(=O)(=O)c1cccc(Oc2cccc(c2)-n2c(C)nc3c(cccc23)C(F)(F)F)c1
Show InChI InChI=1S/C24H21F3N2O3S/c1-15(2)33(30,31)20-10-5-9-19(14-20)32-18-8-4-7-17(13-18)29-16(3)28-23-21(24(25,26)27)11-6-12-22(23)29/h4-15H,1-3H3
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n/an/a 248n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]T0901317 from human recombinant LXRbeta LBD


Bioorg Med Chem Lett 20: 526-30 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.099
BindingDB Entry DOI: 10.7270/Q2HT2PDZ
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50306062
PNG
(2-methyl-1-(3-(3-(propylsulfonyl)phenoxy)phenyl)-4...)
Show SMILES CCCS(=O)(=O)c1cccc(Oc2cccc(c2)-n2c(C)nc3c(cccc23)C(F)(F)F)c1
Show InChI InChI=1S/C24H21F3N2O3S/c1-3-13-33(30,31)20-10-5-9-19(15-20)32-18-8-4-7-17(14-18)29-16(2)28-23-21(24(25,26)27)11-6-12-22(23)29/h4-12,14-15H,3,13H2,1-2H3
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n/an/a 462n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]T0901317 from human recombinant LXRbeta LBD


Bioorg Med Chem Lett 20: 526-30 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.099
BindingDB Entry DOI: 10.7270/Q2HT2PDZ
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50306058
PNG
(1-(3-(3-(ethylsulfonyl)phenoxy)phenyl)-2-methyl-4-...)
Show SMILES CCS(=O)(=O)c1cccc(Oc2cccc(c2)-n2c(C)nc3c(cccc23)C(F)(F)F)c1
Show InChI InChI=1S/C23H19F3N2O3S/c1-3-32(29,30)19-10-5-9-18(14-19)31-17-8-4-7-16(13-17)28-15(2)27-22-20(23(24,25)26)11-6-12-21(22)28/h4-14H,3H2,1-2H3
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n/an/a 128n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]T0901317 from human recombinant LXRbeta LBD


Bioorg Med Chem Lett 20: 526-30 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.099
BindingDB Entry DOI: 10.7270/Q2HT2PDZ
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50306077
PNG
(1-(2-chloro-5-(3-(ethylsulfonyl)phenoxy)phenyl)-4-...)
Show SMILES CCS(=O)(=O)c1cccc(Oc2ccc(Cl)c(c2)-n2cnc3c(cccc23)C(F)(F)F)c1
Show InChI InChI=1S/C22H16ClF3N2O3S/c1-2-32(29,30)16-6-3-5-14(11-16)31-15-9-10-18(23)20(12-15)28-13-27-21-17(22(24,25)26)7-4-8-19(21)28/h3-13H,2H2,1H3
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n/an/a 2.40n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]T0901317 from human recombinant LXRalpha LBD


Bioorg Med Chem Lett 20: 526-30 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.099
BindingDB Entry DOI: 10.7270/Q2HT2PDZ
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50306058
PNG
(1-(3-(3-(ethylsulfonyl)phenoxy)phenyl)-2-methyl-4-...)
Show SMILES CCS(=O)(=O)c1cccc(Oc2cccc(c2)-n2c(C)nc3c(cccc23)C(F)(F)F)c1
Show InChI InChI=1S/C23H19F3N2O3S/c1-3-32(29,30)19-10-5-9-18(14-19)31-17-8-4-7-16(13-17)28-15(2)27-22-20(23(24,25)26)11-6-12-21(22)28/h4-14H,3H2,1-2H3
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n/an/a 5.70n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]T0901317 from human recombinant LXRalpha LBD


Bioorg Med Chem Lett 20: 526-30 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.099
BindingDB Entry DOI: 10.7270/Q2HT2PDZ
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50306060
PNG
(1-(3-(3-(isopropylsulfonyl)phenoxy)phenyl)-2-methy...)
Show SMILES CC(C)S(=O)(=O)c1cccc(Oc2cccc(c2)-n2c(C)nc3c(cccc23)C(F)(F)F)c1
Show InChI InChI=1S/C24H21F3N2O3S/c1-15(2)33(30,31)20-10-5-9-19(14-20)32-18-8-4-7-17(13-18)29-16(3)28-23-21(24(25,26)27)11-6-12-22(23)29/h4-15H,1-3H3
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n/an/a 5.40n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]T0901317 from human recombinant LXRalpha LBD


Bioorg Med Chem Lett 20: 526-30 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.099
BindingDB Entry DOI: 10.7270/Q2HT2PDZ
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50306062
PNG
(2-methyl-1-(3-(3-(propylsulfonyl)phenoxy)phenyl)-4...)
Show SMILES CCCS(=O)(=O)c1cccc(Oc2cccc(c2)-n2c(C)nc3c(cccc23)C(F)(F)F)c1
Show InChI InChI=1S/C24H21F3N2O3S/c1-3-13-33(30,31)20-10-5-9-19(15-20)32-18-8-4-7-17(14-18)29-16(2)28-23-21(24(25,26)27)11-6-12-22(23)29/h4-12,14-15H,3,13H2,1-2H3
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n/an/a 24n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]T0901317 from human recombinant LXRalpha LBD


Bioorg Med Chem Lett 20: 526-30 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.099
BindingDB Entry DOI: 10.7270/Q2HT2PDZ
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50306067
PNG
(1-(3-(3-(methylsulfonyl)phenoxy)phenyl)-4-(trifluo...)
Show SMILES CS(=O)(=O)c1cccc(Oc2cccc(c2)-n2cnc3c(cccc23)C(F)(F)F)c1
Show InChI InChI=1S/C21H15F3N2O3S/c1-30(27,28)17-8-3-7-16(12-17)29-15-6-2-5-14(11-15)26-13-25-20-18(21(22,23)24)9-4-10-19(20)26/h2-13H,1H3
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n/an/a 44n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]T0901317 from human recombinant LXRalpha LBD


Bioorg Med Chem Lett 20: 526-30 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.099
BindingDB Entry DOI: 10.7270/Q2HT2PDZ
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50306076
PNG
(1-(2-chloro-5-(3-(methylsulfonyl)phenoxy)phenyl)-4...)
Show SMILES CS(=O)(=O)c1cccc(Oc2ccc(Cl)c(c2)-n2cnc3c(cccc23)C(F)(F)F)c1
Show InChI InChI=1S/C21H14ClF3N2O3S/c1-31(28,29)15-5-2-4-13(10-15)30-14-8-9-17(22)19(11-14)27-12-26-20-16(21(23,24)25)6-3-7-18(20)27/h2-12H,1H3
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n/an/a 2.70n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]T0901317 from human recombinant LXRalpha LBD


Bioorg Med Chem Lett 20: 526-30 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.099
BindingDB Entry DOI: 10.7270/Q2HT2PDZ
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50306076
PNG
(1-(2-chloro-5-(3-(methylsulfonyl)phenoxy)phenyl)-4...)
Show SMILES CS(=O)(=O)c1cccc(Oc2ccc(Cl)c(c2)-n2cnc3c(cccc23)C(F)(F)F)c1
Show InChI InChI=1S/C21H14ClF3N2O3S/c1-31(28,29)15-5-2-4-13(10-15)30-14-8-9-17(22)19(11-14)27-12-26-20-16(21(23,24)25)6-3-7-18(20)27/h2-12H,1H3
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n/an/a 34n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]T0901317 from human recombinant LXRbeta LBD


Bioorg Med Chem Lett 20: 526-30 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.099
BindingDB Entry DOI: 10.7270/Q2HT2PDZ
More data for this
Ligand-Target Pair