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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Liver X receptor (LXR alpha AND LXR beta)' and Ligand = 'BDBM50192142'   
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
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50192142
PNG
(1,1,1,3,3,3-hexafluoro-2-(4-(methyl(thiazol-4-ylme...)
Show SMILES CCN(Cc1cscn1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C15H14F6N2OS/c1-2-23(7-11-8-25-9-22-11)12-5-3-10(4-6-12)13(24,14(16,17)18)15(19,20)21/h3-6,8-9,24H,2,7H2,1H3
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 50n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to LXRbeta by radioligand displacement assay


Bioorg Med Chem Lett 16: 5231-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.081
BindingDB Entry DOI: 10.7270/Q2HD7V80
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50192142
PNG
(1,1,1,3,3,3-hexafluoro-2-(4-(methyl(thiazol-4-ylme...)
Show SMILES CCN(Cc1cscn1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C15H14F6N2OS/c1-2-23(7-11-8-25-9-22-11)12-5-3-10(4-6-12)13(24,14(16,17)18)15(19,20)21/h3-6,8-9,24H,2,7H2,1H3
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MMDB

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KEGG

UniProtKB/SwissProt

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antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 600n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to LXRalpha by radioligand displacement assay


Bioorg Med Chem Lett 16: 5231-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.081
BindingDB Entry DOI: 10.7270/Q2HD7V80
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50192142
PNG
(1,1,1,3,3,3-hexafluoro-2-(4-(methyl(thiazol-4-ylme...)
Show SMILES CCN(Cc1cscn1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C15H14F6N2OS/c1-2-23(7-11-8-25-9-22-11)12-5-3-10(4-6-12)13(24,14(16,17)18)15(19,20)21/h3-6,8-9,24H,2,7H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 3.30E+3n/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Transactivation of LXRalpha by luciferase reporter gene assay


Bioorg Med Chem Lett 16: 5231-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.081
BindingDB Entry DOI: 10.7270/Q2HD7V80
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50192142
PNG
(1,1,1,3,3,3-hexafluoro-2-(4-(methyl(thiazol-4-ylme...)
Show SMILES CCN(Cc1cscn1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C15H14F6N2OS/c1-2-23(7-11-8-25-9-22-11)12-5-3-10(4-6-12)13(24,14(16,17)18)15(19,20)21/h3-6,8-9,24H,2,7H2,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 200n/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Transactivation of LXRbeta by luciferase reporter gene assay


Bioorg Med Chem Lett 16: 5231-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.081
BindingDB Entry DOI: 10.7270/Q2HD7V80
More data for this
Ligand-Target Pair