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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 = 'BDBM50306073'   
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))
BDBM50306073
PNG
(1-(3-(3-(methylsulfonyl)phenoxy)phenyl)-2-phenyl-4...)
Show SMILES CS(=O)(=O)c1cccc(Oc2cccc(c2)-n2c(nc3c(cccc23)C(F)(F)F)-c2ccccc2)c1
Show InChI InChI=1S/C27H19F3N2O3S/c1-36(33,34)22-13-6-12-21(17-22)35-20-11-5-10-19(16-20)32-24-15-7-14-23(27(28,29)30)25(24)31-26(32)18-8-3-2-4-9-18/h2-17H,1H3
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.10n/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: 526-30 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.099
BindingDB Entry DOI: 10.7270/Q2HT2PDZ
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50306073
PNG
(1-(3-(3-(methylsulfonyl)phenoxy)phenyl)-2-phenyl-4...)
Show SMILES CS(=O)(=O)c1cccc(Oc2cccc(c2)-n2c(nc3c(cccc23)C(F)(F)F)-c2ccccc2)c1
Show InChI InChI=1S/C27H19F3N2O3S/c1-36(33,34)22-13-6-12-21(17-22)35-20-11-5-10-19(16-20)32-24-15-7-14-23(27(28,29)30)25(24)31-26(32)18-8-3-2-4-9-18/h2-17H,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 4.70n/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: 526-30 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.099
BindingDB Entry DOI: 10.7270/Q2HT2PDZ
More data for this
Ligand-Target Pair