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9 similar compounds to monomer 50227157

Compile data set for download or QSAR
Wt: 541.5
BDBM19999
Wt: 607.6
BDBM50227154
Wt: 707.7
BDBM50227155
Wt: 581.5
BDBM50227160
Wt: 541.5
BDBM50227162
Wt: 593.5
BDBM50227163
Wt: 673.7
BDBM50227149
Wt: 687.7
BDBM50227150
Wt: 631.6
BDBM50227153

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 19999,50227154,50227155,50227160,50227162,50227163,50227149,50227150,50227153   
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 alpha (LXR-alpha)


(Homo sapiens (Human))
BDBM19999
PNG
(2-(4-{3-[3-benzoyl-8-(trifluoromethyl)quinolin-4-y...)
Show SMILES OC(=O)Cc1ccc(COc2cccc(c2)-c2c(cnc3c(cccc23)C(F)(F)F)C(=O)c2ccccc2)cc1
Show InChI InChI=1S/C32H22F3NO4/c33-32(34,35)27-11-5-10-25-29(26(18-36-30(25)27)31(39)22-6-2-1-3-7-22)23-8-4-9-24(17-23)40-19-21-14-12-20(13-15-21)16-28(37)38/h1-15,17-18H,16,19H2,(H,37,38)
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n/an/a 16.5n/an/an/an/a7.44



Wyeth Research



Assay Description
Binding reaction was initiated by adding a dilution series of test compound in tracer solution to LXR-coated flash plates. Each concentration of test...


J Med Chem 49: 6151-4 (2006)


Article DOI: 10.1021/jm0609566
BindingDB Entry DOI: 10.7270/Q20863KH
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50227160
PNG
(2-(4-((3-(3-benzoyl-8-(trifluoromethyl)quinolin-5-...)
Show SMILES OC(=O)C(CC=C)c1ccc(COc2cccc(c2)-c2ccc(c3ncc(cc23)C(=O)c2ccccc2)C(F)(F)F)cc1
Show InChI InChI=1S/C35H26F3NO4/c1-2-7-29(34(41)42)23-14-12-22(13-15-23)21-43-27-11-6-10-25(18-27)28-16-17-31(35(36,37)38)32-30(28)19-26(20-39-32)33(40)24-8-4-3-5-9-24/h2-6,8-20,29H,1,7,21H2,(H,41,42)
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n/an/a 16n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity at human LXRalpha


Bioorg Med Chem Lett 18: 54-9 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.013
BindingDB Entry DOI: 10.7270/Q2N879JT
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50227150
PNG
(2-(4-((3-(3-benzoyl-8-(trifluoromethyl)quinolin-5-...)
Show SMILES CC(C)(C)c1ccc(CC(C(O)=O)c2ccc(COc3cccc(c3)-c3ccc(c4ncc(cc34)C(=O)c3ccccc3)C(F)(F)F)cc2)cc1
Show InChI InChI=1S/C43H36F3NO4/c1-42(2,3)33-18-14-27(15-19-33)22-36(41(49)50)29-16-12-28(13-17-29)26-51-34-11-7-10-31(23-34)35-20-21-38(43(44,45)46)39-37(35)24-32(25-47-39)40(48)30-8-5-4-6-9-30/h4-21,23-25,36H,22,26H2,1-3H3,(H,49,50)
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n/an/a 81n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity at human LXRbeta


Bioorg Med Chem Lett 18: 54-9 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.013
BindingDB Entry DOI: 10.7270/Q2N879JT
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50227155
PNG
(2-{4-[3-(3-benzoyl-8-trifluoromethyl-quinolin-5-yl...)
Show SMILES OC(=O)C(Cc1ccc(cc1)-c1ccccc1)c1ccc(COc2cccc(c2)-c2ccc(c3ncc(cc23)C(=O)c2ccccc2)C(F)(F)F)cc1
Show InChI InChI=1S/C45H32F3NO4/c46-45(47,48)41-23-22-38(40-26-36(27-49-42(40)41)43(50)34-10-5-2-6-11-34)35-12-7-13-37(25-35)53-28-30-16-20-33(21-17-30)39(44(51)52)24-29-14-18-32(19-15-29)31-8-3-1-4-9-31/h1-23,25-27,39H,24,28H2,(H,51,52)
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n/an/a 473n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity at human LXRbeta


Bioorg Med Chem Lett 18: 54-9 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.013
BindingDB Entry DOI: 10.7270/Q2N879JT
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50227163
PNG
(2-(4-((3-(3-benzoyl-8-(trifluoromethyl)quinolin-5-...)
Show SMILES CC#CCC(C(O)=O)c1ccc(COc2cccc(c2)-c2ccc(c3ncc(cc23)C(=O)c2ccccc2)C(F)(F)F)cc1
Show InChI InChI=1S/C36H26F3NO4/c1-2-3-12-30(35(42)43)24-15-13-23(14-16-24)22-44-28-11-7-10-26(19-28)29-17-18-32(36(37,38)39)33-31(29)20-27(21-40-33)34(41)25-8-5-4-6-9-25/h4-11,13-21,30H,12,22H2,1H3,(H,42,43)
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n/an/a 2n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity at human LXRbeta


Bioorg Med Chem Lett 18: 54-9 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.013
BindingDB Entry DOI: 10.7270/Q2N879JT
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50227160
PNG
(2-(4-((3-(3-benzoyl-8-(trifluoromethyl)quinolin-5-...)
Show SMILES OC(=O)C(CC=C)c1ccc(COc2cccc(c2)-c2ccc(c3ncc(cc23)C(=O)c2ccccc2)C(F)(F)F)cc1
Show InChI InChI=1S/C35H26F3NO4/c1-2-7-29(34(41)42)23-14-12-22(13-15-23)21-43-27-11-6-10-25(18-27)28-16-17-31(35(36,37)38)32-30(28)19-26(20-39-32)33(40)24-8-4-3-5-9-24/h2-6,8-20,29H,1,7,21H2,(H,41,42)
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n/an/a 5n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity at human LXRbeta


Bioorg Med Chem Lett 18: 54-9 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.013
BindingDB Entry DOI: 10.7270/Q2N879JT
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50227154
PNG
(2-(4-((3-(3-benzoyl-8-(trifluoromethyl)quinolin-5-...)
Show SMILES CCC#CCC(C(O)=O)c1ccc(COc2cccc(c2)-c2ccc(c3ncc(cc23)C(=O)c2ccccc2)C(F)(F)F)cc1
Show InChI InChI=1S/C37H28F3NO4/c1-2-3-5-13-31(36(43)44)25-16-14-24(15-17-25)23-45-29-12-8-11-27(20-29)30-18-19-33(37(38,39)40)34-32(30)21-28(22-41-34)35(42)26-9-6-4-7-10-26/h4,6-12,14-22,31H,2,13,23H2,1H3,(H,43,44)
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n/an/a 10n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity at human LXRbeta


Bioorg Med Chem Lett 18: 54-9 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.013
BindingDB Entry DOI: 10.7270/Q2N879JT
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50227149
PNG
(2-(4-((3-(3-benzoyl-8-(trifluoromethyl)quinolin-5-...)
Show SMILES CCC#CCC(CC#CCC)(C(O)=O)c1ccc(COc2cccc(c2)-c2ccc(c3ncc(cc23)C(=O)c2ccccc2)C(F)(F)F)cc1
Show InChI InChI=1S/C42H34F3NO4/c1-3-5-10-23-41(40(48)49,24-11-6-4-2)33-19-17-29(18-20-33)28-50-34-16-12-15-31(25-34)35-21-22-37(42(43,44)45)38-36(35)26-32(27-46-38)39(47)30-13-8-7-9-14-30/h7-9,12-22,25-27H,3-4,23-24,28H2,1-2H3,(H,48,49)
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n/an/a 219n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity at human LXRbeta


Bioorg Med Chem Lett 18: 54-9 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.013
BindingDB Entry DOI: 10.7270/Q2N879JT
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50227162
PNG
(2-(4-((3-(3-benzoyl-8-(trifluoromethyl)quinolin-5-...)
Show SMILES OC(=O)Cc1ccc(COc2cccc(c2)-c2ccc(c3ncc(cc23)C(=O)c2ccccc2)C(F)(F)F)cc1
Show InChI InChI=1S/C32H22F3NO4/c33-32(34,35)28-14-13-26(27-17-24(18-36-30(27)28)31(39)22-5-2-1-3-6-22)23-7-4-8-25(16-23)40-19-21-11-9-20(10-12-21)15-29(37)38/h1-14,16-18H,15,19H2,(H,37,38)
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n/an/a 5n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity at human LXRbeta


Bioorg Med Chem Lett 18: 54-9 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.013
BindingDB Entry DOI: 10.7270/Q2N879JT
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50227153
PNG
(2-(4-((3-(3-benzoyl-8-(trifluoromethyl)quinolin-5-...)
Show SMILES OC(=O)C(Cc1ccccc1)c1ccc(COc2cccc(c2)-c2ccc(c3ncc(cc23)C(=O)c2ccccc2)C(F)(F)F)cc1
Show InChI InChI=1S/C39H28F3NO4/c40-39(41,42)35-19-18-32(34-22-30(23-43-36(34)35)37(44)28-10-5-2-6-11-28)29-12-7-13-31(21-29)47-24-26-14-16-27(17-15-26)33(38(45)46)20-25-8-3-1-4-9-25/h1-19,21-23,33H,20,24H2,(H,45,46)
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n/an/a 67n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity at human LXRbeta


Bioorg Med Chem Lett 18: 54-9 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.013
BindingDB Entry DOI: 10.7270/Q2N879JT
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50227150
PNG
(2-(4-((3-(3-benzoyl-8-(trifluoromethyl)quinolin-5-...)
Show SMILES CC(C)(C)c1ccc(CC(C(O)=O)c2ccc(COc3cccc(c3)-c3ccc(c4ncc(cc34)C(=O)c3ccccc3)C(F)(F)F)cc2)cc1
Show InChI InChI=1S/C43H36F3NO4/c1-42(2,3)33-18-14-27(15-19-33)22-36(41(49)50)29-16-12-28(13-17-29)26-51-34-11-7-10-31(23-34)35-20-21-38(43(44,45)46)39-37(35)24-32(25-47-39)40(48)30-8-5-4-6-9-30/h4-21,23-25,36H,22,26H2,1-3H3,(H,49,50)
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n/an/a 65n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity at human LXRalpha


Bioorg Med Chem Lett 18: 54-9 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.013
BindingDB Entry DOI: 10.7270/Q2N879JT
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50227149
PNG
(2-(4-((3-(3-benzoyl-8-(trifluoromethyl)quinolin-5-...)
Show SMILES CCC#CCC(CC#CCC)(C(O)=O)c1ccc(COc2cccc(c2)-c2ccc(c3ncc(cc23)C(=O)c2ccccc2)C(F)(F)F)cc1
Show InChI InChI=1S/C42H34F3NO4/c1-3-5-10-23-41(40(48)49,24-11-6-4-2)33-19-17-29(18-20-33)28-50-34-16-12-15-31(25-34)35-21-22-37(42(43,44)45)38-36(35)26-32(27-46-38)39(47)30-13-8-7-9-14-30/h7-9,12-22,25-27H,3-4,23-24,28H2,1-2H3,(H,48,49)
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n/an/a 147n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity at human LXRalpha


Bioorg Med Chem Lett 18: 54-9 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.013
BindingDB Entry DOI: 10.7270/Q2N879JT
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50227155
PNG
(2-{4-[3-(3-benzoyl-8-trifluoromethyl-quinolin-5-yl...)
Show SMILES OC(=O)C(Cc1ccc(cc1)-c1ccccc1)c1ccc(COc2cccc(c2)-c2ccc(c3ncc(cc23)C(=O)c2ccccc2)C(F)(F)F)cc1
Show InChI InChI=1S/C45H32F3NO4/c46-45(47,48)41-23-22-38(40-26-36(27-49-42(40)41)43(50)34-10-5-2-6-11-34)35-12-7-13-37(25-35)53-28-30-16-20-33(21-17-30)39(44(51)52)24-29-14-18-32(19-15-29)31-8-3-1-4-9-31/h1-23,25-27,39H,24,28H2,(H,51,52)
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n/an/a 528n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity at human LXRalpha


Bioorg Med Chem Lett 18: 54-9 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.013
BindingDB Entry DOI: 10.7270/Q2N879JT
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50227154
PNG
(2-(4-((3-(3-benzoyl-8-(trifluoromethyl)quinolin-5-...)
Show SMILES CCC#CCC(C(O)=O)c1ccc(COc2cccc(c2)-c2ccc(c3ncc(cc23)C(=O)c2ccccc2)C(F)(F)F)cc1
Show InChI InChI=1S/C37H28F3NO4/c1-2-3-5-13-31(36(43)44)25-16-14-24(15-17-25)23-45-29-12-8-11-27(20-29)30-18-19-33(37(38,39)40)34-32(30)21-28(22-41-34)35(42)26-9-6-4-7-10-26/h4,6-12,14-22,31H,2,13,23H2,1H3,(H,43,44)
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n/an/a 21n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity at human LXRalpha


Bioorg Med Chem Lett 18: 54-9 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.013
BindingDB Entry DOI: 10.7270/Q2N879JT
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50227153
PNG
(2-(4-((3-(3-benzoyl-8-(trifluoromethyl)quinolin-5-...)
Show SMILES OC(=O)C(Cc1ccccc1)c1ccc(COc2cccc(c2)-c2ccc(c3ncc(cc23)C(=O)c2ccccc2)C(F)(F)F)cc1
Show InChI InChI=1S/C39H28F3NO4/c40-39(41,42)35-19-18-32(34-22-30(23-43-36(34)35)37(44)28-10-5-2-6-11-28)29-12-7-13-31(21-29)47-24-26-14-16-27(17-15-26)33(38(45)46)20-25-8-3-1-4-9-25/h1-19,21-23,33H,20,24H2,(H,45,46)
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n/an/a 112n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity at human LXRalpha


Bioorg Med Chem Lett 18: 54-9 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.013
BindingDB Entry DOI: 10.7270/Q2N879JT
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50227162
PNG
(2-(4-((3-(3-benzoyl-8-(trifluoromethyl)quinolin-5-...)
Show SMILES OC(=O)Cc1ccc(COc2cccc(c2)-c2ccc(c3ncc(cc23)C(=O)c2ccccc2)C(F)(F)F)cc1
Show InChI InChI=1S/C32H22F3NO4/c33-32(34,35)28-14-13-26(27-17-24(18-36-30(27)28)31(39)22-5-2-1-3-6-22)23-7-4-8-25(16-23)40-19-21-11-9-20(10-12-21)15-29(37)38/h1-14,16-18H,15,19H2,(H,37,38)
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n/an/a 17n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity at human LXRalpha


Bioorg Med Chem Lett 18: 54-9 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.013
BindingDB Entry DOI: 10.7270/Q2N879JT
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50227163
PNG
(2-(4-((3-(3-benzoyl-8-(trifluoromethyl)quinolin-5-...)
Show SMILES CC#CCC(C(O)=O)c1ccc(COc2cccc(c2)-c2ccc(c3ncc(cc23)C(=O)c2ccccc2)C(F)(F)F)cc1
Show InChI InChI=1S/C36H26F3NO4/c1-2-3-12-30(35(42)43)24-15-13-23(14-16-24)22-44-28-11-7-10-26(19-28)29-17-18-32(36(37,38)39)33-31(29)20-27(21-40-33)34(41)25-8-5-4-6-9-25/h4-11,13-21,30H,12,22H2,1H3,(H,42,43)
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UniChem

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Article
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n/an/a 6n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity at human LXRalpha


Bioorg Med Chem Lett 18: 54-9 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.013
BindingDB Entry DOI: 10.7270/Q2N879JT
More data for this
Ligand-Target Pair
Liver X Receptor beta (LXR-beta)


(Homo sapiens (Human))
BDBM19999
PNG
(2-(4-{3-[3-benzoyl-8-(trifluoromethyl)quinolin-4-y...)
Show SMILES OC(=O)Cc1ccc(COc2cccc(c2)-c2c(cnc3c(cccc23)C(F)(F)F)C(=O)c2ccccc2)cc1
Show InChI InChI=1S/C32H22F3NO4/c33-32(34,35)27-11-5-10-25-29(26(18-36-30(25)27)31(39)22-6-2-1-3-7-22)23-8-4-9-24(17-23)40-19-21-14-12-20(13-15-21)16-28(37)38/h1-15,17-18H,16,19H2,(H,37,38)
PDB
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n/an/a 5n/a 143n/an/a7.44



Wyeth Research



Assay Description
Binding reaction was initiated by adding a dilution series of test compound in tracer solution to LXR-coated flash plates. Each concentration of test...


J Med Chem 49: 6151-4 (2006)


Article DOI: 10.1021/jm0609566
BindingDB Entry DOI: 10.7270/Q20863KH
More data for this
Ligand-Target Pair