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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 = 'BDBM50306079'   
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))
BDBM50306079
PNG
(4-chloro-1-(2-chloro-5-(3-(methylsulfonyl)phenoxy)...)
Show SMILES Cc1nc2c(Cl)cccc2n1-c1cc(Oc2cccc(c2)S(C)(=O)=O)ccc1Cl
Show InChI InChI=1S/C21H16Cl2N2O3S/c1-13-24-21-18(23)7-4-8-19(21)25(13)20-12-15(9-10-17(20)22)28-14-5-3-6-16(11-14)29(2,26)27/h3-12H,1-2H3
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 3.70n/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))
BDBM50306079
PNG
(4-chloro-1-(2-chloro-5-(3-(methylsulfonyl)phenoxy)...)
Show SMILES Cc1nc2c(Cl)cccc2n1-c1cc(Oc2cccc(c2)S(C)(=O)=O)ccc1Cl
Show InChI InChI=1S/C21H16Cl2N2O3S/c1-13-24-21-18(23)7-4-8-19(21)25(13)20-12-15(9-10-17(20)22)28-14-5-3-6-16(11-14)29(2,26)27/h3-12H,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 14n/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