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BDBM50115193 CHEMBL3609363

SMILES: CN(C(C)=O)c1ccc(OCc2ccc(c(O)c2C(=O)OC(C)(C)C)C(F)(F)F)cc1

InChI Key: InChIKey=XRYDEEKHRNPJOZ-UHFFFAOYSA-N

Data: 2 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50115193   
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-alpha


(Homo sapiens (Human))
BDBM50115193
PNG
(CHEMBL3609363)
Show SMILES CN(C(C)=O)c1ccc(OCc2ccc(c(O)c2C(=O)OC(C)(C)C)C(F)(F)F)cc1
Show InChI InChI=1S/C22H24F3NO5/c1-13(27)26(5)15-7-9-16(10-8-15)30-12-14-6-11-17(22(23,24)25)19(28)18(14)20(29)31-21(2,3)4/h6-11,28H,12H2,1-5H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

PubMed
n/an/an/an/a 280n/an/an/an/a



Daiichi Sankyo RD Novare Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human LXRalpha expressed in African green monkey kidney CV1 cells co-expressing pTAL-LXRE including LXR response element incubate...


Bioorg Med Chem Lett 25: 3914-20 (2015)


BindingDB Entry DOI: 10.7270/Q23T9K08
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM50115193
PNG
(CHEMBL3609363)
Show SMILES CN(C(C)=O)c1ccc(OCc2ccc(c(O)c2C(=O)OC(C)(C)C)C(F)(F)F)cc1
Show InChI InChI=1S/C22H24F3NO5/c1-13(27)26(5)15-7-9-16(10-8-15)30-12-14-6-11-17(22(23,24)25)19(28)18(14)20(29)31-21(2,3)4/h6-11,28H,12H2,1-5H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/an/an/a 260n/an/an/an/a



Daiichi Sankyo RD Novare Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human LXRbeta expressed in African green monkey kidney CV1 cells co-expressing pTAL-LXRE including LXR response element incubated...


Bioorg Med Chem Lett 25: 3914-20 (2015)


BindingDB Entry DOI: 10.7270/Q23T9K08
More data for this
Ligand-Target Pair