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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 = 'BDBM50294742'   
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))
BDBM50294742
PNG
(3-Benzyl-4-(3-{[5-fluoro-2-(trifluoromethyl)benzyl...)
Show SMILES Fc1ccc(c(COc2cccc(c2)-c2c(Cc3ccccc3)nnc3c(cccc23)C(F)(F)F)c1)C(F)(F)F
Show InChI InChI=1S/C30H19F7N2O/c31-21-12-13-24(29(32,33)34)20(15-21)17-40-22-9-4-8-19(16-22)27-23-10-5-11-25(30(35,36)37)28(23)39-38-26(27)14-18-6-2-1-3-7-18/h1-13,15-16H,14,17H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.80E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]T0901317 from human recombinant N-terminal biotinylated tagged LXRbeta ligand binding domain (154-461) expressed in Escherichia c...


Bioorg Med Chem 17: 3519-27 (2009)


Article DOI: 10.1016/j.bmc.2009.04.012
BindingDB Entry DOI: 10.7270/Q2T72HH5
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM50294742
PNG
(3-Benzyl-4-(3-{[5-fluoro-2-(trifluoromethyl)benzyl...)
Show SMILES Fc1ccc(c(COc2cccc(c2)-c2c(Cc3ccccc3)nnc3c(cccc23)C(F)(F)F)c1)C(F)(F)F
Show InChI InChI=1S/C30H19F7N2O/c31-21-12-13-24(29(32,33)34)20(15-21)17-40-22-9-4-8-19(16-22)27-23-10-5-11-25(30(35,36)37)28(23)39-38-26(27)14-18-6-2-1-3-7-18/h1-13,15-16H,14,17H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 3.65E+3n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Agonist activity at human LXRbeta ligand binding domain (219-462) expressed in human HuH7 cells cotransfected with Gal4-DBD by luciferase transactiva...


Bioorg Med Chem 17: 3519-27 (2009)


Article DOI: 10.1016/j.bmc.2009.04.012
BindingDB Entry DOI: 10.7270/Q2T72HH5
More data for this
Ligand-Target Pair