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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 = 'BDBM50305060'   
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))
BDBM50305060
PNG
(4-(3-(3-fluoro-5-(methylsulfonyl)phenoxy)phenyl)-3...)
Show SMILES Cc1cnc2c(cccc2c1-c1cccc(Oc2cc(F)cc(c2)S(C)(=O)=O)c1)C(F)(F)F
Show InChI InChI=1S/C24H17F4NO3S/c1-14-13-29-23-20(7-4-8-21(23)24(26,27)28)22(14)15-5-3-6-17(9-15)32-18-10-16(25)11-19(12-18)33(2,30)31/h3-13H,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.90n/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))
BDBM50305060
PNG
(4-(3-(3-fluoro-5-(methylsulfonyl)phenoxy)phenyl)-3...)
Show SMILES Cc1cnc2c(cccc2c1-c1cccc(Oc2cc(F)cc(c2)S(C)(=O)=O)c1)C(F)(F)F
Show InChI InChI=1S/C24H17F4NO3S/c1-14-13-29-23-20(7-4-8-21(23)24(26,27)28)22(14)15-5-3-6-17(9-15)32-18-10-16(25)11-19(12-18)33(2,30)31/h3-13H,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.60n/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