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Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Liver X receptor'   
Target
(Institution)
LigandTarget
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
Liver X receptor


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50122619
PNG
(CHEMBL3623107)
Show SMILES COc1ccc(\C=C\c2ccccc2N2C(=O)c3ccccc3C2=O)cc1OC
Show InChI InChI=1S/C24H19NO4/c1-28-21-14-12-16(15-22(21)29-2)11-13-17-7-3-6-10-20(17)25-23(26)18-8-4-5-9-19(18)24(25)27/h3-15H,1-2H3/b13-11+
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PC sid
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n/an/a 1.50E+3n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Transrepression activity of LXR in human THP1 cells assessed as inhibition of LPS-induced IL-6 level after 18 hrs by ELISA


ACS Med Chem Lett 6: 902-7 (2015)

More data for this
Ligand-Target Pair
Liver X receptor


(Homo sapiens (Human)-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 1.70E+3n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Transrepression activity of LXR in human THP1 cells assessed as inhibition of LPS-induced IL-6 level after 18 hrs by ELISA


ACS Med Chem Lett 6: 902-7 (2015)

More data for this
Ligand-Target Pair
Liver X receptor


(Homo sapiens (Human)-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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PubMed
n/an/a 2.60E+4n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Transrepression activity of LXR in human THP1 cells assessed as inhibition of LPS-induced IL-6 level after 18 hrs by ELISA


ACS Med Chem Lett 6: 902-7 (2015)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Liver X receptor


(Homo sapiens (Human)-Homo sapiens (human))
BDBM28802
PNG
(2-{[(5-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-...)
Show SMILES COC(=O)N(CC(O)=O)Cc1cc(OCc2nc(oc2C)-c2ccc(Cl)cc2)ccc1F
Show InChI InChI=1S/C22H20ClFN2O6/c1-13-19(25-21(32-13)14-3-5-16(23)6-4-14)12-31-17-7-8-18(24)15(9-17)10-26(11-20(27)28)22(29)30-2/h3-9H,10-12H2,1-2H3,(H,27,28)
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n/an/an/an/a>2.50E+4n/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Agonist activity at human LXR by transactivation assay


ACS Med Chem Lett 7: 590-4 (2016)

More data for this
Ligand-Target Pair
Liver X receptor


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50177015
PNG
(CHEMBL3814206)
Show SMILES CC(C)[C@@H]1CN(CCN1c1ncc(CO)c(n1)C(F)(F)F)c1ccc(CO)c(c1)S(C)(=O)=O
Show InChI InChI=1/C21H27F3N4O4S/c1-13(2)17-10-27(16-5-4-14(11-29)18(8-16)33(3,31)32)6-7-28(17)20-25-9-15(12-30)19(26-20)21(22,23)24/h4-5,8-9,13,17,29-30H,6-7,10-12H2,1-3H3/t17-/s2
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n/an/an/an/a 4n/an/an/an/a



Vitae Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at LXR in human THP1 cells assessed as upregulation of ABCA1 gene expression after 24 hrs by RT-PCR analysis


J Med Chem 59: 3264-71 (2016)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Liver X receptor


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50177015
PNG
(CHEMBL3814206)
Show SMILES CC(C)[C@@H]1CN(CCN1c1ncc(CO)c(n1)C(F)(F)F)c1ccc(CO)c(c1)S(C)(=O)=O
Show InChI InChI=1/C21H27F3N4O4S/c1-13(2)17-10-27(16-5-4-14(11-29)18(8-16)33(3,31)32)6-7-28(17)20-25-9-15(12-30)19(26-20)21(22,23)24/h4-5,8-9,13,17,29-30H,6-7,10-12H2,1-3H3/t17-/s2
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PubMed
n/an/an/an/a 6n/an/an/an/a



Vitae Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at LXR in human HepG2 cells assessed as upregulation of SREBP1C gene expression after 24 hrs by RT-PCR analysis


J Med Chem 59: 3264-71 (2016)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)