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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 = 'BDBM50064356'   
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))
BDBM50064356
PNG
(CHEMBL3403708)
Show SMILES CCCc1c(OCCCCN2C(=O)N(C)C(C)(C)C2=O)ccc2c(cc(=O)oc12)C(F)(F)F
Show InChI InChI=1S/C23H27F3N2O5/c1-5-8-15-17(10-9-14-16(23(24,25)26)13-18(29)33-19(14)15)32-12-7-6-11-28-20(30)22(2,3)27(4)21(28)31/h9-10,13H,5-8,11-12H2,1-4H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.00E+3n/an/an/an/a



Kowa Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at LXRbeta (unknown origin) expressed in CHOK1 cells incubated for 24 hrs by GAL4-responsive luciferase reporter gene assay


Bioorg Med Chem Lett 25: 2668-74 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.080
BindingDB Entry DOI: 10.7270/Q2PN97CM
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM50064356
PNG
(CHEMBL3403708)
Show SMILES CCCc1c(OCCCCN2C(=O)N(C)C(C)(C)C2=O)ccc2c(cc(=O)oc12)C(F)(F)F
Show InChI InChI=1S/C23H27F3N2O5/c1-5-8-15-17(10-9-14-16(23(24,25)26)13-18(29)33-19(14)15)32-12-7-6-11-28-20(30)22(2,3)27(4)21(28)31/h9-10,13H,5-8,11-12H2,1-4H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.02E+3n/an/an/an/a



Kowa Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at Gal4-tagged LXRbeta (unknown origin) expressed in CHOK1 cells after 24 hrs by luciferase reporter gene assay


Bioorg Med Chem Lett 25: 1274-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.047
BindingDB Entry DOI: 10.7270/Q2CC12BH
More data for this
Ligand-Target Pair