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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 = 'BDBM50192154'   
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))
BDBM50192154
PNG
(CHEMBL215959 | methyl 2-(4-(2-((2-chloro-4-(1,1,1,...)
Show SMILES CCN(C(COc1ccc(CC(=O)OC)cc1)c1ccccc1)c1ccc(cc1Cl)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C28H26ClF6NO4/c1-3-36(23-14-11-20(16-22(23)29)26(38,27(30,31)32)28(33,34)35)24(19-7-5-4-6-8-19)17-40-21-12-9-18(10-13-21)15-25(37)39-2/h4-14,16,24,38H,3,15,17H2,1-2H3
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 30n/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))
BDBM50192154
PNG
(CHEMBL215959 | methyl 2-(4-(2-((2-chloro-4-(1,1,1,...)
Show SMILES CCN(C(COc1ccc(CC(=O)OC)cc1)c1ccccc1)c1ccc(cc1Cl)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C28H26ClF6NO4/c1-3-36(23-14-11-20(16-22(23)29)26(38,27(30,31)32)28(33,34)35)24(19-7-5-4-6-8-19)17-40-21-12-9-18(10-13-21)15-25(37)39-2/h4-14,16,24,38H,3,15,17H2,1-2H3
PDB
MMDB

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UniProtKB/SwissProt

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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 200n/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))
BDBM50192154
PNG
(CHEMBL215959 | methyl 2-(4-(2-((2-chloro-4-(1,1,1,...)
Show SMILES CCN(C(COc1ccc(CC(=O)OC)cc1)c1ccccc1)c1ccc(cc1Cl)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C28H26ClF6NO4/c1-3-36(23-14-11-20(16-22(23)29)26(38,27(30,31)32)28(33,34)35)24(19-7-5-4-6-8-19)17-40-21-12-9-18(10-13-21)15-25(37)39-2/h4-14,16,24,38H,3,15,17H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.10E+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))
BDBM50192154
PNG
(CHEMBL215959 | methyl 2-(4-(2-((2-chloro-4-(1,1,1,...)
Show SMILES CCN(C(COc1ccc(CC(=O)OC)cc1)c1ccccc1)c1ccc(cc1Cl)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C28H26ClF6NO4/c1-3-36(23-14-11-20(16-22(23)29)26(38,27(30,31)32)28(33,34)35)24(19-7-5-4-6-8-19)17-40-21-12-9-18(10-13-21)15-25(37)39-2/h4-14,16,24,38H,3,15,17H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 300n/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