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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50306066   
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))
BDBM50306066
PNG
(1-(3-(3-(ethylsulfonyl)-5-fluorophenoxy)phenyl)-2-...)
Show SMILES CCS(=O)(=O)c1cc(F)cc(Oc2cccc(c2)-n2c(C)nc3c(cccc23)C(F)(F)F)c1
Show InChI InChI=1S/C23H18F4N2O3S/c1-3-33(30,31)19-11-15(24)10-18(13-19)32-17-7-4-6-16(12-17)29-14(2)28-22-20(23(25,26)27)8-5-9-21(22)29/h4-13H,3H2,1-2H3
PDB
MMDB

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UniProtKB/SwissProt
UniProtKB/TrEMBL

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 38n/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
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM50306066
PNG
(1-(3-(3-(ethylsulfonyl)-5-fluorophenoxy)phenyl)-2-...)
Show SMILES CCS(=O)(=O)c1cc(F)cc(Oc2cccc(c2)-n2c(C)nc3c(cccc23)C(F)(F)F)c1
Show InChI InChI=1S/C23H18F4N2O3S/c1-3-33(30,31)19-11-15(24)10-18(13-19)32-17-7-4-6-16(12-17)29-14(2)28-22-20(23(25,26)27)8-5-9-21(22)29/h4-13H,3H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 489n/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