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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Liver X receptor (LXR alpha AND LXR beta)' and Ligand = 'BDBM50305062'   
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))
BDBM50305062
PNG
(4-(3-(3-(3-methoxypropylsulfonyl)phenoxy)phenyl)-3...)
Show SMILES COCCCS(=O)(=O)c1cccc(Oc2cccc(c2)-c2c(C)cnc3c(cccc23)C(F)(F)F)c1
Show InChI InChI=1S/C27H24F3NO4S/c1-18-17-31-26-23(11-5-12-24(26)27(28,29)30)25(18)19-7-3-8-20(15-19)35-21-9-4-10-22(16-21)36(32,33)14-6-13-34-2/h3-5,7-12,15-17H,6,13-14H2,1-2H3
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.20n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]T0901317 from human recombinant LXRalpha-LBD


Bioorg Med Chem Lett 20: 209-12 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.132
BindingDB Entry DOI: 10.7270/Q2KW5G4B
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50305062
PNG
(4-(3-(3-(3-methoxypropylsulfonyl)phenoxy)phenyl)-3...)
Show SMILES COCCCS(=O)(=O)c1cccc(Oc2cccc(c2)-c2c(C)cnc3c(cccc23)C(F)(F)F)c1
Show InChI InChI=1S/C27H24F3NO4S/c1-18-17-31-26-23(11-5-12-24(26)27(28,29)30)25(18)19-7-3-8-20(15-19)35-21-9-4-10-22(16-21)36(32,33)14-6-13-34-2/h3-5,7-12,15-17H,6,13-14H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 19n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]T0901317 from human recombinant LXRbeta-LBD


Bioorg Med Chem Lett 20: 209-12 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.132
BindingDB Entry DOI: 10.7270/Q2KW5G4B
More data for this
Ligand-Target Pair