BindingDB logo
myBDB logout

BDBM50390745 CHEMBL2070368

SMILES: CC(C)CN(c1ccc(cc1)C(O)(C#Cc1cccc(c1)C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccccc1

InChI Key: InChIKey=IPVOYRALYXDGRZ-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50390745   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM50390745
PNG
(CHEMBL2070368)
Show SMILES CC(C)CN(c1ccc(cc1)C(O)(C#Cc1cccc(c1)C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C27H23F6NO3S/c1-19(2)18-34(38(36,37)24-9-4-3-5-10-24)23-13-11-21(12-14-23)25(35,27(31,32)33)16-15-20-7-6-8-22(17-20)26(28,29)30/h3-14,17,19,35H,18H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 500n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]N-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl)-N-methylbenzenesulfonamide from GST-tagged LXRbeta ligand binding domai...


Bioorg Med Chem Lett 22: 5966-70 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.048
BindingDB Entry DOI: 10.7270/Q2PR7X24
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM50390745
PNG
(CHEMBL2070368)
Show SMILES CC(C)CN(c1ccc(cc1)C(O)(C#Cc1cccc(c1)C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C27H23F6NO3S/c1-19(2)18-34(38(36,37)24-9-4-3-5-10-24)23-13-11-21(12-14-23)25(35,27(31,32)33)16-15-20-7-6-8-22(17-20)26(28,29)30/h3-14,17,19,35H,18H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at LXRbeta ligand binding domain expressed in HEK293 cells coexpressing GAL4 assessed as decrease in [3H]N-(4-(1,1,1,3,3,3-hexafl...


Bioorg Med Chem Lett 22: 5966-70 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.048
BindingDB Entry DOI: 10.7270/Q2PR7X24
More data for this
Ligand-Target Pair