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4 similar compounds to monomer 20015

Compile data set for download or QSAR
Wt: 486.5
BDBM20010
Wt: 472.5
BDBM20011
Wt: 472.5
BDBM20013
Wt: 506.9
BDBM20014

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 20010,20011,20013,20014   
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))
BDBM20010
PNG
(2-[4-({[3-(3-benzoyl-8-methylquinolin-4-yl)phenyl]...)
Show SMILES Cc1cccc2c(-c3cccc(NCc4ccc(CC(O)=O)cc4)c3)c(cnc12)C(=O)c1ccccc1
Show InChI InChI=1S/C32H26N2O3/c1-21-7-5-12-27-30(28(20-34-31(21)27)32(37)24-8-3-2-4-9-24)25-10-6-11-26(18-25)33-19-23-15-13-22(14-16-23)17-29(35)36/h2-16,18,20,33H,17,19H2,1H3,(H,35,36)
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n/an/a 18n/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...


Bioorg Med Chem 15: 3321-33 (2007)


Article DOI: 10.1016/j.bmc.2007.03.013
BindingDB Entry DOI: 10.7270/Q2VH5M37
More data for this
Ligand-Target Pair
Liver X Receptor alpha (LXR-alpha)


(Homo sapiens (Human))
BDBM20011
PNG
(2-[4-({[3-(3-benzyl-8-methylquinolin-4-yl)phenyl]a...)
Show SMILES Cc1cccc2c(c(Cc3ccccc3)cnc12)-c1cccc(NCc2ccc(CC(O)=O)cc2)c1
Show InChI InChI=1S/C32H28N2O2/c1-22-7-5-12-29-31(27(21-34-32(22)29)17-23-8-3-2-4-9-23)26-10-6-11-28(19-26)33-20-25-15-13-24(14-16-25)18-30(35)36/h2-16,19,21,33H,17-18,20H2,1H3,(H,35,36)
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n/an/a 21n/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...


Bioorg Med Chem 15: 3321-33 (2007)


Article DOI: 10.1016/j.bmc.2007.03.013
BindingDB Entry DOI: 10.7270/Q2VH5M37
More data for this
Ligand-Target Pair
Liver X Receptor alpha (LXR-alpha)


(Homo sapiens (Human))
BDBM20013
PNG
(2-[4-({[3-(3-benzoylquinolin-4-yl)phenyl]amino}met...)
Show SMILES OC(=O)Cc1ccc(CNc2cccc(c2)-c2c(cnc3ccccc23)C(=O)c2ccccc2)cc1
Show InChI InChI=1S/C31H24N2O3/c34-29(35)17-21-13-15-22(16-14-21)19-32-25-10-6-9-24(18-25)30-26-11-4-5-12-28(26)33-20-27(30)31(36)23-7-2-1-3-8-23/h1-16,18,20,32H,17,19H2,(H,34,35)
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n/an/a 650n/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...


Bioorg Med Chem 15: 3321-33 (2007)


Article DOI: 10.1016/j.bmc.2007.03.013
BindingDB Entry DOI: 10.7270/Q2VH5M37
More data for this
Ligand-Target Pair
Liver X Receptor beta (LXR-beta)


(Homo sapiens (Human))
BDBM20014
PNG
(2-[4-({[3-(3-benzoyl-8-chloroquinolin-4-yl)phenyl]...)
Show SMILES OC(=O)Cc1ccc(CNc2cccc(c2)-c2c(cnc3c(Cl)cccc23)C(=O)c2ccccc2)cc1
Show InChI InChI=1S/C31H23ClN2O3/c32-27-11-5-10-25-29(26(19-34-30(25)27)31(37)22-6-2-1-3-7-22)23-8-4-9-24(17-23)33-18-21-14-12-20(13-15-21)16-28(35)36/h1-15,17,19,33H,16,18H2,(H,35,36)
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n/an/a 2.70n/a 39n/an/an/an/a



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...


Bioorg Med Chem 15: 3321-33 (2007)


Article DOI: 10.1016/j.bmc.2007.03.013
BindingDB Entry DOI: 10.7270/Q2VH5M37
More data for this
Ligand-Target Pair
Liver X Receptor beta (LXR-beta)


(Homo sapiens (Human))
BDBM20010
PNG
(2-[4-({[3-(3-benzoyl-8-methylquinolin-4-yl)phenyl]...)
Show SMILES Cc1cccc2c(-c3cccc(NCc4ccc(CC(O)=O)cc4)c3)c(cnc12)C(=O)c1ccccc1
Show InChI InChI=1S/C32H26N2O3/c1-21-7-5-12-27-30(28(20-34-31(21)27)32(37)24-8-3-2-4-9-24)25-10-6-11-26(18-25)33-19-23-15-13-22(14-16-23)17-29(35)36/h2-16,18,20,33H,17,19H2,1H3,(H,35,36)
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n/an/a 5.5n/a 61n/an/an/an/a



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...


Bioorg Med Chem 15: 3321-33 (2007)


Article DOI: 10.1016/j.bmc.2007.03.013
BindingDB Entry DOI: 10.7270/Q2VH5M37
More data for this
Ligand-Target Pair
Liver X Receptor beta (LXR-beta)


(Homo sapiens (Human))
BDBM20011
PNG
(2-[4-({[3-(3-benzyl-8-methylquinolin-4-yl)phenyl]a...)
Show SMILES Cc1cccc2c(c(Cc3ccccc3)cnc12)-c1cccc(NCc2ccc(CC(O)=O)cc2)c1
Show InChI InChI=1S/C32H28N2O2/c1-22-7-5-12-29-31(27(21-34-32(22)29)17-23-8-3-2-4-9-23)26-10-6-11-28(19-26)33-20-25-15-13-24(14-16-25)18-30(35)36/h2-16,19,21,33H,17-18,20H2,1H3,(H,35,36)
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n/an/a 5n/a 90n/an/an/an/a



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...


Bioorg Med Chem 15: 3321-33 (2007)


Article DOI: 10.1016/j.bmc.2007.03.013
BindingDB Entry DOI: 10.7270/Q2VH5M37
More data for this
Ligand-Target Pair
Liver X Receptor beta (LXR-beta)


(Homo sapiens (Human))
BDBM20013
PNG
(2-[4-({[3-(3-benzoylquinolin-4-yl)phenyl]amino}met...)
Show SMILES OC(=O)Cc1ccc(CNc2cccc(c2)-c2c(cnc3ccccc23)C(=O)c2ccccc2)cc1
Show InChI InChI=1S/C31H24N2O3/c34-29(35)17-21-13-15-22(16-14-21)19-32-25-10-6-9-24(18-25)30-26-11-4-5-12-28(26)33-20-27(30)31(36)23-7-2-1-3-8-23/h1-16,18,20,32H,17,19H2,(H,34,35)
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n/an/a 154n/a 1.65E+3n/an/an/an/a



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...


Bioorg Med Chem 15: 3321-33 (2007)


Article DOI: 10.1016/j.bmc.2007.03.013
BindingDB Entry DOI: 10.7270/Q2VH5M37
More data for this
Ligand-Target Pair
Liver X Receptor alpha (LXR-alpha)


(Homo sapiens (Human))
BDBM20014
PNG
(2-[4-({[3-(3-benzoyl-8-chloroquinolin-4-yl)phenyl]...)
Show SMILES OC(=O)Cc1ccc(CNc2cccc(c2)-c2c(cnc3c(Cl)cccc23)C(=O)c2ccccc2)cc1
Show InChI InChI=1S/C31H23ClN2O3/c32-27-11-5-10-25-29(26(19-34-30(25)27)31(37)22-6-2-1-3-7-22)23-8-4-9-24(17-23)33-18-21-14-12-20(13-15-21)16-28(35)36/h1-15,17,19,33H,16,18H2,(H,35,36)
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n/an/a 9n/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...


Bioorg Med Chem 15: 3321-33 (2007)


Article DOI: 10.1016/j.bmc.2007.03.013
BindingDB Entry DOI: 10.7270/Q2VH5M37
More data for this
Ligand-Target Pair