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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Oxysterols receptor LXR-alpha' and Ligand = 'BDBM50305068'   
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-alpha


(Homo sapiens (Human))
BDBM50305068
PNG
(4-(3-(3-(isopropylsulfonyl)phenoxy)phenyl)-3-methy...)
Show SMILES CC(C)S(=O)(=O)c1cccc(Oc2cccc(c2)-c2c(C)cnc3c(cccc23)C(F)(F)F)c1
Show InChI InChI=1S/C26H22F3NO3S/c1-16(2)34(31,32)21-10-5-9-20(14-21)33-19-8-4-7-18(13-19)24-17(3)15-30-25-22(24)11-6-12-23(25)26(27,28)29/h4-16H,1-3H3
PDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.80n/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