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PubMed code 22873709

Compile data set for download or QSAR
Found 45 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
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50396607
PNG
(CHEMBL2171827)
Show SMILES CCc1ccc2N(C)C(=O)c3cc(ccc3C(=C)c2c1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C25H21NO3/c1-4-16-5-12-23-21(13-16)15(2)20-11-10-19(14-22(20)24(27)26(23)3)17-6-8-18(9-7-17)25(28)29/h5-14H,2,4H2,1,3H3,(H,28,29)
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n/an/a 1.30E+3n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Transactivational antagonist activity at human LXRalpha transfected in HEK293 cells expressing CMX-Gal4N assessed as inhibition of T1317-induced luci...

J Med Chem 55: 7360-77 (2012)


Article DOI: 10.1021/jm3002394
BindingDB Entry DOI: 10.7270/Q2NV9KCH
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50396590
PNG
(CHEMBL2171915)
Show SMILES CC(C)c1ccc2N(C)C(=O)c3ccccc3C(=C)c2c1
Show InChI InChI=1S/C19H19NO/c1-12(2)14-9-10-18-17(11-14)13(3)15-7-5-6-8-16(15)19(21)20(18)4/h5-12H,3H2,1-2,4H3
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n/an/a 1.70E+3n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Transactivational antagonist activity at human LXRalpha transfected in HEK293 cells expressing CMX-Gal4N assessed as inhibition of T1317-induced luci...

J Med Chem 55: 7360-77 (2012)


Article DOI: 10.1021/jm3002394
BindingDB Entry DOI: 10.7270/Q2NV9KCH
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50396605
PNG
(CHEMBL2171829)
Show SMILES CCc1ccc2N(C)C(=O)c3cc(ccc3C(=C)c2c1)-c1ccc(CC(O)=O)cc1
Show InChI InChI=1S/C26H23NO3/c1-4-17-7-12-24-22(13-17)16(2)21-11-10-20(15-23(21)26(30)27(24)3)19-8-5-18(6-9-19)14-25(28)29/h5-13,15H,2,4,14H2,1,3H3,(H,28,29)
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n/an/a 2.20E+3n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Transactivational antagonist activity at human LXRalpha transfected in HEK293 cells expressing CMX-Gal4N assessed as inhibition of T1317-induced luci...

J Med Chem 55: 7360-77 (2012)


Article DOI: 10.1021/jm3002394
BindingDB Entry DOI: 10.7270/Q2NV9KCH
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50396595
PNG
(CHEMBL2171906)
Show SMILES Cn1c2ccc(cc2c2ccccc2c1=O)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H11F6NO2/c1-24-13-7-6-9(15(26,16(18,19)20)17(21,22)23)8-12(13)10-4-2-3-5-11(10)14(24)25/h2-8,26H,1H3
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n/an/a 4.10E+3n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Transactivational antagonist activity at human LXRalpha transfected in HEK293 cells expressing CMX-Gal4N assessed as inhibition of T1317-induced luci...

J Med Chem 55: 7360-77 (2012)


Article DOI: 10.1021/jm3002394
BindingDB Entry DOI: 10.7270/Q2NV9KCH
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50396601
PNG
(CHEMBL2171902)
Show SMILES CN1c2ccc(O)cc2C(=C)c2ccccc2C1=O
Show InChI InChI=1S/C16H13NO2/c1-10-12-5-3-4-6-13(12)16(19)17(2)15-8-7-11(18)9-14(10)15/h3-9,18H,1H2,2H3
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n/an/a 4.10E+3n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Transactivational antagonist activity at human LXRalpha transfected in HEK293 cells expressing CMX-Gal4N assessed as inhibition of T1317-induced luci...

J Med Chem 55: 7360-77 (2012)


Article DOI: 10.1021/jm3002394
BindingDB Entry DOI: 10.7270/Q2NV9KCH
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50396604
PNG
(CHEMBL2171905)
Show SMILES CN1c2ccc(cc2C(=C)c2ccccc2C1=O)C(C)=O
Show InChI InChI=1S/C18H15NO2/c1-11-14-6-4-5-7-15(14)18(21)19(3)17-9-8-13(12(2)20)10-16(11)17/h4-10H,1H2,2-3H3
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n/an/a 4.90E+3n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Transactivational antagonist activity at human LXRalpha transfected in HEK293 cells expressing CMX-Gal4N assessed as inhibition of T1317-induced luci...

J Med Chem 55: 7360-77 (2012)


Article DOI: 10.1021/jm3002394
BindingDB Entry DOI: 10.7270/Q2NV9KCH
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50396589
PNG
(CHEMBL2171916)
Show SMILES CN1c2ccc(cc2C(=C)c2ccccc2C1=O)C(C)(C)C
Show InChI InChI=1S/C20H21NO/c1-13-15-8-6-7-9-16(15)19(22)21(5)18-11-10-14(12-17(13)18)20(2,3)4/h6-12H,1H2,2-5H3
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n/an/a 5.40E+3n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Transactivational antagonist activity at human LXRalpha transfected in HEK293 cells expressing CMX-Gal4N assessed as inhibition of T1317-induced luci...

J Med Chem 55: 7360-77 (2012)


Article DOI: 10.1021/jm3002394
BindingDB Entry DOI: 10.7270/Q2NV9KCH
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50396603
PNG
(CHEMBL2171901)
Show SMILES C[n+]1c2ccc(cc2c([CH2-])c2ccccc2c1=O)[N+]([O-])=O
Show InChI InChI=1S/C16H12N2O3/c1-10-12-5-3-4-6-13(12)16(19)17(2)15-8-7-11(18(20)21)9-14(10)15/h3-9H,1H2,2H3
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n/an/a 6.10E+3n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Transactivational antagonist activity at human LXRalpha transfected in HEK293 cells expressing CMX-Gal4N assessed as inhibition of T1317-induced luci...

J Med Chem 55: 7360-77 (2012)


Article DOI: 10.1021/jm3002394
BindingDB Entry DOI: 10.7270/Q2NV9KCH
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50396604
PNG
(CHEMBL2171905)
Show SMILES CN1c2ccc(cc2C(=C)c2ccccc2C1=O)C(C)=O
Show InChI InChI=1S/C18H15NO2/c1-11-14-6-4-5-7-15(14)18(21)19(3)17-9-8-13(12(2)20)10-16(11)17/h4-10H,1H2,2-3H3
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n/an/a 7.50E+3n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Transactivational antagonist activity at human LXRbeta transfected in HEK293 cells expressing CMX-Gal4N assessed as inhibition of T1317-induced lucif...

J Med Chem 55: 7360-77 (2012)


Article DOI: 10.1021/jm3002394
BindingDB Entry DOI: 10.7270/Q2NV9KCH
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50396607
PNG
(CHEMBL2171827)
Show SMILES CCc1ccc2N(C)C(=O)c3cc(ccc3C(=C)c2c1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C25H21NO3/c1-4-16-5-12-23-21(13-16)15(2)20-11-10-19(14-22(20)24(27)26(23)3)17-6-8-18(9-7-17)25(28)29/h5-14H,2,4H2,1,3H3,(H,28,29)
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n/an/a 9.50E+3n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Transactivational antagonist activity at human LXRbeta transfected in HEK293 cells expressing CMX-Gal4N assessed as inhibition of T1317-induced lucif...

J Med Chem 55: 7360-77 (2012)


Article DOI: 10.1021/jm3002394
BindingDB Entry DOI: 10.7270/Q2NV9KCH
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50396600
PNG
(CHEMBL2171903)
Show SMILES CN1c2ccc(CO)cc2C(=C)c2ccccc2C1=O
Show InChI InChI=1S/C17H15NO2/c1-11-13-5-3-4-6-14(13)17(20)18(2)16-8-7-12(10-19)9-15(11)16/h3-9,19H,1,10H2,2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Transactivational antagonist activity at human LXRalpha transfected in HEK293 cells expressing CMX-Gal4N assessed as inhibition of T1317-induced luci...

J Med Chem 55: 7360-77 (2012)


Article DOI: 10.1021/jm3002394
BindingDB Entry DOI: 10.7270/Q2NV9KCH
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50396588
PNG
(CHEMBL2171910)
Show SMILES CN1c2ccccc2C(=C)c2ccccc2C1=O
Show InChI InChI=1S/C16H13NO/c1-11-12-7-3-4-9-14(12)16(18)17(2)15-10-6-5-8-13(11)15/h3-10H,1H2,2H3
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The University of Tokyo

Curated by ChEMBL


Assay Description
Transactivational antagonist activity at human LXRbeta transfected in HEK293 cells expressing CMX-Gal4N assessed as inhibition of T1317-induced lucif...

J Med Chem 55: 7360-77 (2012)


Article DOI: 10.1021/jm3002394
BindingDB Entry DOI: 10.7270/Q2NV9KCH
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50396592
PNG
(CHEMBL2171913)
Show SMILES CCCCCCc1ccc2N(C)C(=O)c3ccccc3C(=C)c2c1
Show InChI InChI=1S/C22H25NO/c1-4-5-6-7-10-17-13-14-21-20(15-17)16(2)18-11-8-9-12-19(18)22(24)23(21)3/h8-9,11-15H,2,4-7,10H2,1,3H3
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The University of Tokyo

Curated by ChEMBL


Assay Description
Transactivational antagonist activity at human LXRbeta transfected in HEK293 cells expressing CMX-Gal4N assessed as inhibition of T1317-induced lucif...

J Med Chem 55: 7360-77 (2012)


Article DOI: 10.1021/jm3002394
BindingDB Entry DOI: 10.7270/Q2NV9KCH
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50396589
PNG
(CHEMBL2171916)
Show SMILES CN1c2ccc(cc2C(=C)c2ccccc2C1=O)C(C)(C)C
Show InChI InChI=1S/C20H21NO/c1-13-15-8-6-7-9-16(15)19(22)21(5)18-11-10-14(12-17(13)18)20(2,3)4/h6-12H,1H2,2-5H3
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The University of Tokyo

Curated by ChEMBL


Assay Description
Transactivational antagonist activity at human LXRbeta transfected in HEK293 cells expressing CMX-Gal4N assessed as inhibition of T1317-induced lucif...

J Med Chem 55: 7360-77 (2012)


Article DOI: 10.1021/jm3002394
BindingDB Entry DOI: 10.7270/Q2NV9KCH
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50396594
PNG
(CHEMBL2171911)
Show SMILES CN1c2ccc(C)cc2C(=C)c2ccccc2C1=O
Show InChI InChI=1S/C17H15NO/c1-11-8-9-16-15(10-11)12(2)13-6-4-5-7-14(13)17(19)18(16)3/h4-10H,2H2,1,3H3
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The University of Tokyo

Curated by ChEMBL


Assay Description
Transactivational antagonist activity at human LXRalpha transfected in HEK293 cells expressing CMX-Gal4N assessed as inhibition of T1317-induced luci...

J Med Chem 55: 7360-77 (2012)


Article DOI: 10.1021/jm3002394
BindingDB Entry DOI: 10.7270/Q2NV9KCH
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50396590
PNG
(CHEMBL2171915)
Show SMILES CC(C)c1ccc2N(C)C(=O)c3ccccc3C(=C)c2c1
Show InChI InChI=1S/C19H19NO/c1-12(2)14-9-10-18-17(11-14)13(3)15-7-5-6-8-16(15)19(21)20(18)4/h5-12H,3H2,1-2,4H3
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The University of Tokyo

Curated by ChEMBL


Assay Description
Transactivational antagonist activity at human LXRbeta transfected in HEK293 cells expressing CMX-Gal4N assessed as inhibition of T1317-induced lucif...

J Med Chem 55: 7360-77 (2012)


Article DOI: 10.1021/jm3002394
BindingDB Entry DOI: 10.7270/Q2NV9KCH
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50396588
PNG
(CHEMBL2171910)
Show SMILES CN1c2ccccc2C(=C)c2ccccc2C1=O
Show InChI InChI=1S/C16H13NO/c1-11-12-7-3-4-9-14(12)16(18)17(2)15-10-6-5-8-13(11)15/h3-10H,1H2,2H3
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The University of Tokyo

Curated by ChEMBL


Assay Description
Transactivational antagonist activity at human LXRalpha transfected in HEK293 cells expressing CMX-Gal4N assessed as inhibition of T1317-induced luci...

J Med Chem 55: 7360-77 (2012)


Article DOI: 10.1021/jm3002394
BindingDB Entry DOI: 10.7270/Q2NV9KCH
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50396594
PNG
(CHEMBL2171911)
Show SMILES CN1c2ccc(C)cc2C(=C)c2ccccc2C1=O
Show InChI InChI=1S/C17H15NO/c1-11-8-9-16-15(10-11)12(2)13-6-4-5-7-14(13)17(19)18(16)3/h4-10H,2H2,1,3H3
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The University of Tokyo

Curated by ChEMBL


Assay Description
Transactivational antagonist activity at human LXRbeta transfected in HEK293 cells expressing CMX-Gal4N assessed as inhibition of T1317-induced lucif...

J Med Chem 55: 7360-77 (2012)


Article DOI: 10.1021/jm3002394
BindingDB Entry DOI: 10.7270/Q2NV9KCH
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50396592
PNG
(CHEMBL2171913)
Show SMILES CCCCCCc1ccc2N(C)C(=O)c3ccccc3C(=C)c2c1
Show InChI InChI=1S/C22H25NO/c1-4-5-6-7-10-17-13-14-21-20(15-17)16(2)18-11-8-9-12-19(18)22(24)23(21)3/h8-9,11-15H,2,4-7,10H2,1,3H3
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The University of Tokyo

Curated by ChEMBL


Assay Description
Transactivational antagonist activity at human LXRalpha transfected in HEK293 cells expressing CMX-Gal4N assessed as inhibition of T1317-induced luci...

J Med Chem 55: 7360-77 (2012)


Article DOI: 10.1021/jm3002394
BindingDB Entry DOI: 10.7270/Q2NV9KCH
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50396600
PNG
(CHEMBL2171903)
Show SMILES CN1c2ccc(CO)cc2C(=C)c2ccccc2C1=O
Show InChI InChI=1S/C17H15NO2/c1-11-13-5-3-4-6-14(13)17(20)18(2)16-8-7-12(10-19)9-15(11)16/h3-9,19H,1,10H2,2H3
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The University of Tokyo

Curated by ChEMBL


Assay Description
Transactivational antagonist activity at human LXRbeta transfected in HEK293 cells expressing CMX-Gal4N assessed as inhibition of T1317-induced lucif...

J Med Chem 55: 7360-77 (2012)


Article DOI: 10.1021/jm3002394
BindingDB Entry DOI: 10.7270/Q2NV9KCH
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50396601
PNG
(CHEMBL2171902)
Show SMILES CN1c2ccc(O)cc2C(=C)c2ccccc2C1=O
Show InChI InChI=1S/C16H13NO2/c1-10-12-5-3-4-6-13(12)16(19)17(2)15-8-7-11(18)9-14(10)15/h3-9,18H,1H2,2H3
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n/an/a 1.10E+4n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Transactivational antagonist activity at human LXRbeta transfected in HEK293 cells expressing CMX-Gal4N assessed as inhibition of T1317-induced lucif...

J Med Chem 55: 7360-77 (2012)


Article DOI: 10.1021/jm3002394
BindingDB Entry DOI: 10.7270/Q2NV9KCH
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50396603
PNG
(CHEMBL2171901)
Show SMILES C[n+]1c2ccc(cc2c([CH2-])c2ccccc2c1=O)[N+]([O-])=O
Show InChI InChI=1S/C16H12N2O3/c1-10-12-5-3-4-6-13(12)16(19)17(2)15-8-7-11(18(20)21)9-14(10)15/h3-9H,1H2,2H3
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n/an/a 1.30E+4n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Transactivational antagonist activity at human LXRbeta transfected in HEK293 cells expressing CMX-Gal4N assessed as inhibition of T1317-induced lucif...

J Med Chem 55: 7360-77 (2012)


Article DOI: 10.1021/jm3002394
BindingDB Entry DOI: 10.7270/Q2NV9KCH
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50396599
PNG
(CHEMBL2171904)
Show SMILES CN1c2ccc(cc2C(=C)c2ccccc2C1=O)C(O)=O
Show InChI InChI=1S/C17H13NO3/c1-10-12-5-3-4-6-13(12)16(19)18(2)15-8-7-11(17(20)21)9-14(10)15/h3-9H,1H2,2H3,(H,20,21)
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n/an/a 1.40E+4n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Transactivational antagonist activity at human LXRalpha transfected in HEK293 cells expressing CMX-Gal4N assessed as inhibition of T1317-induced luci...

J Med Chem 55: 7360-77 (2012)


Article DOI: 10.1021/jm3002394
BindingDB Entry DOI: 10.7270/Q2NV9KCH
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50396605
PNG
(CHEMBL2171829)
Show SMILES CCc1ccc2N(C)C(=O)c3cc(ccc3C(=C)c2c1)-c1ccc(CC(O)=O)cc1
Show InChI InChI=1S/C26H23NO3/c1-4-17-7-12-24-22(13-17)16(2)21-11-10-20(15-23(21)26(30)27(24)3)19-8-5-18(6-9-19)14-25(28)29/h5-13,15H,2,4,14H2,1,3H3,(H,28,29)
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n/an/a 1.50E+4n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Transactivational antagonist activity at human LXRbeta transfected in HEK293 cells expressing CMX-Gal4N assessed as inhibition of T1317-induced lucif...

J Med Chem 55: 7360-77 (2012)


Article DOI: 10.1021/jm3002394
BindingDB Entry DOI: 10.7270/Q2NV9KCH
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50396602
PNG
(CHEMBL2169907)
Show SMILES CN1c2ccc(N)cc2C(=C)c2ccccc2C1=O
Show InChI InChI=1S/C16H14N2O/c1-10-12-5-3-4-6-13(12)16(19)18(2)15-8-7-11(17)9-14(10)15/h3-9H,1,17H2,2H3
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n/an/a 1.90E+4n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Transactivational antagonist activity at human LXRalpha transfected in HEK293 cells expressing CMX-Gal4N assessed as inhibition of T1317-induced luci...

J Med Chem 55: 7360-77 (2012)


Article DOI: 10.1021/jm3002394
BindingDB Entry DOI: 10.7270/Q2NV9KCH
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50396606
PNG
(CHEMBL2171828)
Show SMILES CCc1ccc2N(C)C(=O)c3cc(ccc3C(=C)c2c1)-c1cccc(CC(O)=O)c1
Show InChI InChI=1S/C26H23NO3/c1-4-17-8-11-24-22(13-17)16(2)21-10-9-20(15-23(21)26(30)27(24)3)19-7-5-6-18(12-19)14-25(28)29/h5-13,15H,2,4,14H2,1,3H3,(H,28,29)
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n/an/a 2.10E+4n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Transactivational antagonist activity at human LXRalpha transfected in HEK293 cells expressing CMX-Gal4N assessed as inhibition of T1317-induced luci...

J Med Chem 55: 7360-77 (2012)


Article DOI: 10.1021/jm3002394
BindingDB Entry DOI: 10.7270/Q2NV9KCH
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50396599
PNG
(CHEMBL2171904)
Show SMILES CN1c2ccc(cc2C(=C)c2ccccc2C1=O)C(O)=O
Show InChI InChI=1S/C17H13NO3/c1-10-12-5-3-4-6-13(12)16(19)18(2)15-8-7-11(17(20)21)9-14(10)15/h3-9H,1H2,2H3,(H,20,21)
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n/an/a 2.60E+4n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Transactivational antagonist activity at human LXRbeta transfected in HEK293 cells expressing CMX-Gal4N assessed as inhibition of T1317-induced lucif...

J Med Chem 55: 7360-77 (2012)


Article DOI: 10.1021/jm3002394
BindingDB Entry DOI: 10.7270/Q2NV9KCH
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50396602
PNG
(CHEMBL2169907)
Show SMILES CN1c2ccc(N)cc2C(=C)c2ccccc2C1=O
Show InChI InChI=1S/C16H14N2O/c1-10-12-5-3-4-6-13(12)16(19)18(2)15-8-7-11(17)9-14(10)15/h3-9H,1,17H2,2H3
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n/an/a 2.70E+4n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Transactivational antagonist activity at human LXRbeta transfected in HEK293 cells expressing CMX-Gal4N assessed as inhibition of T1317-induced lucif...

J Med Chem 55: 7360-77 (2012)


Article DOI: 10.1021/jm3002394
BindingDB Entry DOI: 10.7270/Q2NV9KCH
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50396606
PNG
(CHEMBL2171828)
Show SMILES CCc1ccc2N(C)C(=O)c3cc(ccc3C(=C)c2c1)-c1cccc(CC(O)=O)c1
Show InChI InChI=1S/C26H23NO3/c1-4-17-8-11-24-22(13-17)16(2)21-10-9-20(15-23(21)26(30)27(24)3)19-7-5-6-18(12-19)14-25(28)29/h5-13,15H,2,4,14H2,1,3H3,(H,28,29)
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n/an/a 2.70E+4n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Transactivational antagonist activity at human LXRbeta transfected in HEK293 cells expressing CMX-Gal4N assessed as inhibition of T1317-induced lucif...

J Med Chem 55: 7360-77 (2012)


Article DOI: 10.1021/jm3002394
BindingDB Entry DOI: 10.7270/Q2NV9KCH
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50396591
PNG
(CHEMBL2171914)
Show SMILES CCCCCCCCCCCCc1ccc2N(C)C(=O)c3ccccc3C(=C)c2c1
Show InChI InChI=1S/C28H37NO/c1-4-5-6-7-8-9-10-11-12-13-16-23-19-20-27-26(21-23)22(2)24-17-14-15-18-25(24)28(30)29(27)3/h14-15,17-21H,2,4-13,16H2,1,3H3
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n/an/a>3.00E+4n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Transactivational antagonist activity at human LXRbeta transfected in HEK293 cells expressing CMX-Gal4N assessed as inhibition of T1317-induced lucif...

J Med Chem 55: 7360-77 (2012)


Article DOI: 10.1021/jm3002394
BindingDB Entry DOI: 10.7270/Q2NV9KCH
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50396593
PNG
(CHEMBL2171912)
Show SMILES CCc1ccc2N(C)C(=O)c3ccccc3C(=C)c2c1
Show InChI InChI=1S/C18H17NO/c1-4-13-9-10-17-16(11-13)12(2)14-7-5-6-8-15(14)18(20)19(17)3/h5-11H,2,4H2,1,3H3
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n/an/a>3.00E+4n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Transactivational antagonist activity at human LXRbeta transfected in HEK293 cells expressing CMX-Gal4N assessed as inhibition of T1317-induced lucif...

J Med Chem 55: 7360-77 (2012)


Article DOI: 10.1021/jm3002394
BindingDB Entry DOI: 10.7270/Q2NV9KCH
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50396608
PNG
(CHEMBL2171917)
Show SMILES CCc1ccc2N(C)C(=O)c3cc(ccc3C(=C)c2c1)-c1cccc(c1)C(O)=O
Show InChI InChI=1S/C25H21NO3/c1-4-16-8-11-23-21(12-16)15(2)20-10-9-18(14-22(20)24(27)26(23)3)17-6-5-7-19(13-17)25(28)29/h5-14H,2,4H2,1,3H3,(H,28,29)
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n/an/a>3.00E+4n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Transactivational antagonist activity at human LXRbeta transfected in HEK293 cells expressing CMX-Gal4N assessed as inhibition of T1317-induced lucif...

J Med Chem 55: 7360-77 (2012)


Article DOI: 10.1021/jm3002394
BindingDB Entry DOI: 10.7270/Q2NV9KCH
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50396591
PNG
(CHEMBL2171914)
Show SMILES CCCCCCCCCCCCc1ccc2N(C)C(=O)c3ccccc3C(=C)c2c1
Show InChI InChI=1S/C28H37NO/c1-4-5-6-7-8-9-10-11-12-13-16-23-19-20-27-26(21-23)22(2)24-17-14-15-18-25(24)28(30)29(27)3/h14-15,17-21H,2,4-13,16H2,1,3H3
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n/an/a>3.00E+4n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Transactivational antagonist activity at human LXRalpha transfected in HEK293 cells expressing CMX-Gal4N assessed as inhibition of T1317-induced luci...

J Med Chem 55: 7360-77 (2012)


Article DOI: 10.1021/jm3002394
BindingDB Entry DOI: 10.7270/Q2NV9KCH
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50396593
PNG
(CHEMBL2171912)
Show SMILES CCc1ccc2N(C)C(=O)c3ccccc3C(=C)c2c1
Show InChI InChI=1S/C18H17NO/c1-4-13-9-10-17-16(11-13)12(2)14-7-5-6-8-15(14)18(20)19(17)3/h5-11H,2,4H2,1,3H3
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n/an/a>3.00E+4n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Transactivational antagonist activity at human LXRalpha transfected in HEK293 cells expressing CMX-Gal4N assessed as inhibition of T1317-induced luci...

J Med Chem 55: 7360-77 (2012)


Article DOI: 10.1021/jm3002394
BindingDB Entry DOI: 10.7270/Q2NV9KCH
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50396608
PNG
(CHEMBL2171917)
Show SMILES CCc1ccc2N(C)C(=O)c3cc(ccc3C(=C)c2c1)-c1cccc(c1)C(O)=O
Show InChI InChI=1S/C25H21NO3/c1-4-16-8-11-23-21(12-16)15(2)20-10-9-18(14-22(20)24(27)26(23)3)17-6-5-7-19(13-17)25(28)29/h5-14H,2,4H2,1,3H3,(H,28,29)
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n/an/a>3.00E+4n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Transactivational antagonist activity at human LXRalpha transfected in HEK293 cells expressing CMX-Gal4N assessed as inhibition of T1317-induced luci...

J Med Chem 55: 7360-77 (2012)


Article DOI: 10.1021/jm3002394
BindingDB Entry DOI: 10.7270/Q2NV9KCH
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50396597
PNG
(CHEMBL2171908)
Show SMILES CN1c2ccc(cc2CCc2ccccc2C1=O)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C19H15F6NO2/c1-26-15-9-8-13(17(28,18(20,21)22)19(23,24)25)10-12(15)7-6-11-4-2-3-5-14(11)16(26)27/h2-5,8-10,28H,6-7H2,1H3
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n/an/an/an/a 910n/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Transactivational agonist activity at human LXRalpha transfected in HEK293 cells expressing CMX-Gal4N assessed as luciferase activity after 16 hrs by...

J Med Chem 55: 7360-77 (2012)


Article DOI: 10.1021/jm3002394
BindingDB Entry DOI: 10.7270/Q2NV9KCH
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50396596
PNG
(CHEMBL2171909)
Show SMILES CN1c2ccc(cc2C(=C)c2ccccc2C1=O)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C19H13F6NO2/c1-10-12-5-3-4-6-13(12)16(27)26(2)15-8-7-11(9-14(10)15)17(28,18(20,21)22)19(23,24)25/h3-9,28H,1H2,2H3
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n/an/an/an/a 1.70E+3n/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Transactivational agonist activity at human LXRalpha transfected in HEK293 cells expressing CMX-Gal4N assessed as luciferase activity after 16 hrs by...

J Med Chem 55: 7360-77 (2012)


Article DOI: 10.1021/jm3002394
BindingDB Entry DOI: 10.7270/Q2NV9KCH
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM19993
PNG
(CHEMBL62136 | N-[4-(1,1,1,3,3,3-hexafluoro-2-hydro...)
Show SMILES OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H12F9NO3S/c18-14(19,20)10-27(31(29,30)13-4-2-1-3-5-13)12-8-6-11(7-9-12)15(28,16(21,22)23)17(24,25)26/h1-9,28H,10H2
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n/an/an/an/a 90n/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Transactivational agonist activity at human LXRbeta transfected in HEK293 cells expressing CMX-Gal4N assessed as luciferase activity after 16 hrs by ...

J Med Chem 55: 7360-77 (2012)


Article DOI: 10.1021/jm3002394
BindingDB Entry DOI: 10.7270/Q2NV9KCH
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50396596
PNG
(CHEMBL2171909)
Show SMILES CN1c2ccc(cc2C(=C)c2ccccc2C1=O)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C19H13F6NO2/c1-10-12-5-3-4-6-13(12)16(27)26(2)15-8-7-11(9-14(10)15)17(28,18(20,21)22)19(23,24)25/h3-9,28H,1H2,2H3
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n/an/an/an/a 770n/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Transactivational agonist activity at human LXRbeta transfected in HEK293 cells expressing CMX-Gal4N assessed as luciferase activity after 16 hrs by ...

J Med Chem 55: 7360-77 (2012)


Article DOI: 10.1021/jm3002394
BindingDB Entry DOI: 10.7270/Q2NV9KCH
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50396597
PNG
(CHEMBL2171908)
Show SMILES CN1c2ccc(cc2CCc2ccccc2C1=O)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C19H15F6NO2/c1-26-15-9-8-13(17(28,18(20,21)22)19(23,24)25)10-12(15)7-6-11-4-2-3-5-14(11)16(26)27/h2-5,8-10,28H,6-7H2,1H3
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n/an/an/an/a 260n/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Transactivational agonist activity at human LXRbeta transfected in HEK293 cells expressing CMX-Gal4N assessed as luciferase activity after 16 hrs by ...

J Med Chem 55: 7360-77 (2012)


Article DOI: 10.1021/jm3002394
BindingDB Entry DOI: 10.7270/Q2NV9KCH
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50396598
PNG
(CHEMBL2171907)
Show SMILES CN1c2ccc(cc2Oc2ccccc2C1=O)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H11F6NO3/c1-24-11-7-6-9(15(26,16(18,19)20)17(21,22)23)8-13(11)27-12-5-3-2-4-10(12)14(24)25/h2-8,26H,1H3
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n/an/an/an/a 2.70E+3n/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Transactivational agonist activity at human LXRbeta transfected in HEK293 cells expressing CMX-Gal4N assessed as luciferase activity after 16 hrs by ...

J Med Chem 55: 7360-77 (2012)


Article DOI: 10.1021/jm3002394
BindingDB Entry DOI: 10.7270/Q2NV9KCH
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50179863
PNG
(CHEMBL379225 | N-(4-(1,1,1,3,3,3-hexafluoro-2-hydr...)
Show SMILES CN(C(=O)c1ccccc1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H13F6NO2/c1-24(14(25)11-5-3-2-4-6-11)13-9-7-12(8-10-13)15(26,16(18,19)20)17(21,22)23/h2-10,26H,1H3
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n/an/an/an/a 630n/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Transactivational agonist activity at human LXRalpha transfected in HEK293 cells expressing CMX-Gal4N assessed as luciferase activity after 16 hrs by...

J Med Chem 55: 7360-77 (2012)


Article DOI: 10.1021/jm3002394
BindingDB Entry DOI: 10.7270/Q2NV9KCH
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM19993
PNG
(CHEMBL62136 | N-[4-(1,1,1,3,3,3-hexafluoro-2-hydro...)
Show SMILES OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H12F9NO3S/c18-14(19,20)10-27(31(29,30)13-4-2-1-3-5-13)12-8-6-11(7-9-12)15(28,16(21,22)23)17(24,25)26/h1-9,28H,10H2
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n/an/an/an/a 340n/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Transactivational agonist activity at human LXRalpha transfected in HEK293 cells expressing CMX-Gal4N assessed as luciferase activity after 16 hrs by...

J Med Chem 55: 7360-77 (2012)


Article DOI: 10.1021/jm3002394
BindingDB Entry DOI: 10.7270/Q2NV9KCH
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50396598
PNG
(CHEMBL2171907)
Show SMILES CN1c2ccc(cc2Oc2ccccc2C1=O)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H11F6NO3/c1-24-11-7-6-9(15(26,16(18,19)20)17(21,22)23)8-13(11)27-12-5-3-2-4-10(12)14(24)25/h2-8,26H,1H3
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n/an/an/an/a 4.20E+3n/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Transactivational agonist activity at human LXRalpha transfected in HEK293 cells expressing CMX-Gal4N assessed as luciferase activity after 16 hrs by...

J Med Chem 55: 7360-77 (2012)


Article DOI: 10.1021/jm3002394
BindingDB Entry DOI: 10.7270/Q2NV9KCH
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50179863
PNG
(CHEMBL379225 | N-(4-(1,1,1,3,3,3-hexafluoro-2-hydr...)
Show SMILES CN(C(=O)c1ccccc1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H13F6NO2/c1-24(14(25)11-5-3-2-4-6-11)13-9-7-12(8-10-13)15(26,16(18,19)20)17(21,22)23/h2-10,26H,1H3
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antibodypedia
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UniChem

Patents

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Article
PubMed
n/an/an/an/a 180n/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Transactivational agonist activity at human LXRbeta transfected in HEK293 cells expressing CMX-Gal4N assessed as luciferase activity after 16 hrs by ...

J Med Chem 55: 7360-77 (2012)


Article DOI: 10.1021/jm3002394
BindingDB Entry DOI: 10.7270/Q2NV9KCH
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%