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5 similar compounds to monomer 50306082

Compile data set for download or QSAR
Wt: 447.3
BDBM50306079
Wt: 461.3
BDBM50306080
Wt: 475.3
BDBM50306081
Wt: 501.3
BDBM50306083
Wt: 412.8
BDBM50306056

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50306079,50306080,50306081,50306083,50306056   
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))
BDBM50306081
PNG
(4-chloro-1-(2-chloro-5-(3-(isopropylsulfonyl)pheno...)
Show SMILES CC(C)S(=O)(=O)c1cccc(Oc2ccc(Cl)c(c2)-n2c(C)nc3c(Cl)cccc23)c1
Show InChI InChI=1S/C23H20Cl2N2O3S/c1-14(2)31(28,29)18-7-4-6-16(12-18)30-17-10-11-19(24)22(13-17)27-15(3)26-23-20(25)8-5-9-21(23)27/h4-14H,1-3H3
PDB

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n/an/a 36n/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))
BDBM50306056
PNG
(4-chloro-2-methyl-1-(3-(3-(methylsulfonyl)phenoxy)...)
Show SMILES Cc1nc2c(Cl)cccc2n1-c1cccc(Oc2cccc(c2)S(C)(=O)=O)c1
Show InChI InChI=1S/C21H17ClN2O3S/c1-14-23-21-19(22)10-5-11-20(21)24(14)15-6-3-7-16(12-15)27-17-8-4-9-18(13-17)28(2,25)26/h3-13H,1-2H3
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n/an/a 100n/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))
BDBM50306079
PNG
(4-chloro-1-(2-chloro-5-(3-(methylsulfonyl)phenoxy)...)
Show SMILES Cc1nc2c(Cl)cccc2n1-c1cc(Oc2cccc(c2)S(C)(=O)=O)ccc1Cl
Show InChI InChI=1S/C21H16Cl2N2O3S/c1-13-24-21-18(23)7-4-8-19(21)25(13)20-12-15(9-10-17(20)22)28-14-5-3-6-16(11-14)29(2,26)27/h3-12H,1-2H3
PDB

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n/an/a 14n/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))
BDBM50306080
PNG
(4-chloro-1-(2-chloro-5-(3-(ethylsulfonyl)phenoxy)p...)
Show SMILES CCS(=O)(=O)c1cccc(Oc2ccc(Cl)c(c2)-n2c(C)nc3c(Cl)cccc23)c1
Show InChI InChI=1S/C22H18Cl2N2O3S/c1-3-30(27,28)17-7-4-6-15(12-17)29-16-10-11-18(23)21(13-16)26-14(2)25-22-19(24)8-5-9-20(22)26/h4-13H,3H2,1-2H3
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n/an/a 12n/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))
BDBM50306083
PNG
(4-chloro-1-(2-chloro-5-(3-(trifluoromethylsulfonyl...)
Show SMILES Cc1nc2c(Cl)cccc2n1-c1cc(Oc2cccc(c2)S(=O)(=O)C(F)(F)F)ccc1Cl
Show InChI InChI=1S/C21H13Cl2F3N2O3S/c1-12-27-20-17(23)6-3-7-18(20)28(12)19-11-14(8-9-16(19)22)31-13-4-2-5-15(10-13)32(29,30)21(24,25)26/h2-11H,1H3
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n/an/a 17n/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))
BDBM50306056
PNG
(4-chloro-2-methyl-1-(3-(3-(methylsulfonyl)phenoxy)...)
Show SMILES Cc1nc2c(Cl)cccc2n1-c1cccc(Oc2cccc(c2)S(C)(=O)=O)c1
Show InChI InChI=1S/C21H17ClN2O3S/c1-14-23-21-19(22)10-5-11-20(21)24(14)15-6-3-7-16(12-15)27-17-8-4-9-18(13-17)28(2,25)26/h3-13H,1-2H3
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n/an/a 7.30n/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))
BDBM50306079
PNG
(4-chloro-1-(2-chloro-5-(3-(methylsulfonyl)phenoxy)...)
Show SMILES Cc1nc2c(Cl)cccc2n1-c1cc(Oc2cccc(c2)S(C)(=O)=O)ccc1Cl
Show InChI InChI=1S/C21H16Cl2N2O3S/c1-13-24-21-18(23)7-4-8-19(21)25(13)20-12-15(9-10-17(20)22)28-14-5-3-6-16(11-14)29(2,26)27/h3-12H,1-2H3
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n/an/a 3.70n/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))
BDBM50306080
PNG
(4-chloro-1-(2-chloro-5-(3-(ethylsulfonyl)phenoxy)p...)
Show SMILES CCS(=O)(=O)c1cccc(Oc2ccc(Cl)c(c2)-n2c(C)nc3c(Cl)cccc23)c1
Show InChI InChI=1S/C22H18Cl2N2O3S/c1-3-30(27,28)17-7-4-6-15(12-17)29-16-10-11-18(23)21(13-16)26-14(2)25-22-19(24)8-5-9-20(22)26/h4-13H,3H2,1-2H3
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n/an/a 3.5n/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))
BDBM50306081
PNG
(4-chloro-1-(2-chloro-5-(3-(isopropylsulfonyl)pheno...)
Show SMILES CC(C)S(=O)(=O)c1cccc(Oc2ccc(Cl)c(c2)-n2c(C)nc3c(Cl)cccc23)c1
Show InChI InChI=1S/C23H20Cl2N2O3S/c1-14(2)31(28,29)18-7-4-6-16(12-18)30-17-10-11-19(24)22(13-17)27-15(3)26-23-20(25)8-5-9-21(23)27/h4-14H,1-3H3
PDB
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n/an/a 3.60n/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))
BDBM50306083
PNG
(4-chloro-1-(2-chloro-5-(3-(trifluoromethylsulfonyl...)
Show SMILES Cc1nc2c(Cl)cccc2n1-c1cc(Oc2cccc(c2)S(=O)(=O)C(F)(F)F)ccc1Cl
Show InChI InChI=1S/C21H13Cl2F3N2O3S/c1-12-27-20-17(23)6-3-7-18(20)28(12)19-11-14(8-9-16(19)22)31-13-4-2-5-15(10-13)32(29,30)21(24,25)26/h2-11H,1H3
PDB

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Article
PubMed
n/an/a 85n/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