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BDBM50184266 2-(4-(ethyl(3-(7-propyl-3-(trifluoromethyl)benzo[d]isoxazol-6-yloxy)propyl)amino)phenyl)acetic acid::CHEMBL208711

SMILES: CCCc1c(OCCCN(CC)c2ccc(CC(O)=O)cc2)ccc2c(noc12)C(F)(F)F

InChI Key: InChIKey=DHBTWYCRACDCDH-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50184266   
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
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50184266
PNG
(2-(4-(ethyl(3-(7-propyl-3-(trifluoromethyl)benzo[d...)
Show SMILES CCCc1c(OCCCN(CC)c2ccc(CC(O)=O)cc2)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C24H27F3N2O4/c1-3-6-18-20(12-11-19-22(18)33-28-23(19)24(25,26)27)32-14-5-13-29(4-2)17-9-7-16(8-10-17)15-21(30)31/h7-12H,3-6,13-15H2,1-2H3,(H,30,31)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 140n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of LXR beta


Bioorg Med Chem Lett 16: 3055-60 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.050
BindingDB Entry DOI: 10.7270/Q20V8CD6
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50184266
PNG
(2-(4-(ethyl(3-(7-propyl-3-(trifluoromethyl)benzo[d...)
Show SMILES CCCc1c(OCCCN(CC)c2ccc(CC(O)=O)cc2)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C24H27F3N2O4/c1-3-6-18-20(12-11-19-22(18)33-28-23(19)24(25,26)27)32-14-5-13-29(4-2)17-9-7-16(8-10-17)15-21(30)31/h7-12H,3-6,13-15H2,1-2H3,(H,30,31)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.60E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PPAR delta


Bioorg Med Chem Lett 16: 3055-60 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.050
BindingDB Entry DOI: 10.7270/Q20V8CD6
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM50184266
PNG
(2-(4-(ethyl(3-(7-propyl-3-(trifluoromethyl)benzo[d...)
Show SMILES CCCc1c(OCCCN(CC)c2ccc(CC(O)=O)cc2)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C24H27F3N2O4/c1-3-6-18-20(12-11-19-22(18)33-28-23(19)24(25,26)27)32-14-5-13-29(4-2)17-9-7-16(8-10-17)15-21(30)31/h7-12H,3-6,13-15H2,1-2H3,(H,30,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 110n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Activity at LXR alpha as beta-lactamase transactivation in CHO cells


Bioorg Med Chem Lett 16: 3055-60 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.050
BindingDB Entry DOI: 10.7270/Q20V8CD6
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50184266
PNG
(2-(4-(ethyl(3-(7-propyl-3-(trifluoromethyl)benzo[d...)
Show SMILES CCCc1c(OCCCN(CC)c2ccc(CC(O)=O)cc2)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C24H27F3N2O4/c1-3-6-18-20(12-11-19-22(18)33-28-23(19)24(25,26)27)32-14-5-13-29(4-2)17-9-7-16(8-10-17)15-21(30)31/h7-12H,3-6,13-15H2,1-2H3,(H,30,31)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.60E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PPAR alpha


Bioorg Med Chem Lett 16: 3055-60 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.050
BindingDB Entry DOI: 10.7270/Q20V8CD6
More data for this
Ligand-Target Pair