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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 = 'BDBM50306061'   
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))
BDBM50306061
PNG
(4-chloro-1-(3-(3-(isopropylsulfonyl)phenoxy)phenyl...)
Show SMILES CC(C)S(=O)(=O)c1cccc(Oc2cccc(c2)-n2c(C)nc3c(Cl)cccc23)c1
Show InChI InChI=1S/C23H21ClN2O3S/c1-15(2)30(27,28)20-10-5-9-19(14-20)29-18-8-4-7-17(13-18)26-16(3)25-23-21(24)11-6-12-22(23)26/h4-15H,1-3H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 5.60n/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))
BDBM50306061
PNG
(4-chloro-1-(3-(3-(isopropylsulfonyl)phenoxy)phenyl...)
Show SMILES CC(C)S(=O)(=O)c1cccc(Oc2cccc(c2)-n2c(C)nc3c(Cl)cccc23)c1
Show InChI InChI=1S/C23H21ClN2O3S/c1-15(2)30(27,28)20-10-5-9-19(14-20)29-18-8-4-7-17(13-18)26-16(3)25-23-21(24)11-6-12-22(23)26/h4-15H,1-3H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 138n/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