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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Oxysterols receptor LXR-beta' and Ligand = 'BDBM50258030'   
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
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM50258030
PNG
((S)-N-(2-chloro-4-(N-methylphenylsulfonamido)pheny...)
Show SMILES CN(c1ccc(NC(=O)[C@](C)(O)C(F)(F)F)c(Cl)c1)S(=O)(=O)c1ccccc1 |r|
Show InChI InChI=1S/C17H16ClF3N2O4S/c1-16(25,17(19,20)21)15(24)22-14-9-8-11(10-13(14)18)23(2)28(26,27)12-6-4-3-5-7-12/h3-10,25H,1-2H3,(H,22,24)/t16-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.90E+3n/an/an/an/a



AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
Agonist activity at LXRbeta ligand binding domain (unknown origin) by FRET based SRC1 recruitment assay


Bioorg Med Chem Lett 19: 2009-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.039
BindingDB Entry DOI: 10.7270/Q20C4VNS
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM50258030
PNG
((S)-N-(2-chloro-4-(N-methylphenylsulfonamido)pheny...)
Show SMILES CN(c1ccc(NC(=O)[C@](C)(O)C(F)(F)F)c(Cl)c1)S(=O)(=O)c1ccccc1 |r|
Show InChI InChI=1S/C17H16ClF3N2O4S/c1-16(25,17(19,20)21)15(24)22-14-9-8-11(10-13(14)18)23(2)28(26,27)12-6-4-3-5-7-12/h3-10,25H,1-2H3,(H,22,24)/t16-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 959n/an/an/an/a



AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
Agonist activity at human LXRbeta expressed in human SH-SY5Y cells co-transfected with Gal4-LBD after 24 hrs by luciferase reporter gene assay


Bioorg Med Chem Lett 19: 2009-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.039
BindingDB Entry DOI: 10.7270/Q20C4VNS
More data for this
Ligand-Target Pair