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BDBM50192131 CHEMBL263089::methyl 2-(ethyl(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl)amino)-2-phenylbutanoate

SMILES: CCN(c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)C(CC)(C(=O)OC)c1ccccc1

InChI Key: InChIKey=WRDYYYJMUBDBTD-UHFFFAOYSA-N

Data: 2 IC50  2 EC50

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 = 50192131   
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))
BDBM50192131
PNG
(CHEMBL263089 | methyl 2-(ethyl(4-(1,1,1,3,3,3-hexa...)
Show SMILES CCN(c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)C(CC)(C(=O)OC)c1ccccc1
Show InChI InChI=1S/C22H23F6NO3/c1-4-19(18(30)32-3,15-9-7-6-8-10-15)29(5-2)17-13-11-16(12-14-17)20(31,21(23,24)25)22(26,27)28/h6-14,31H,4-5H2,1-3H3
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 40n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to LXRbeta by radioligand displacement assay


Bioorg Med Chem Lett 16: 5231-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.081
BindingDB Entry DOI: 10.7270/Q2HD7V80
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
BDBM50192131
PNG
(CHEMBL263089 | methyl 2-(ethyl(4-(1,1,1,3,3,3-hexa...)
Show SMILES CCN(c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)C(CC)(C(=O)OC)c1ccccc1
Show InChI InChI=1S/C22H23F6NO3/c1-4-19(18(30)32-3,15-9-7-6-8-10-15)29(5-2)17-13-11-16(12-14-17)20(31,21(23,24)25)22(26,27)28/h6-14,31H,4-5H2,1-3H3
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 300n/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Transactivation of LXRalpha by luciferase reporter gene assay


Bioorg Med Chem Lett 16: 5231-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.081
BindingDB Entry DOI: 10.7270/Q2HD7V80
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
BDBM50192131
PNG
(CHEMBL263089 | methyl 2-(ethyl(4-(1,1,1,3,3,3-hexa...)
Show SMILES CCN(c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)C(CC)(C(=O)OC)c1ccccc1
Show InChI InChI=1S/C22H23F6NO3/c1-4-19(18(30)32-3,15-9-7-6-8-10-15)29(5-2)17-13-11-16(12-14-17)20(31,21(23,24)25)22(26,27)28/h6-14,31H,4-5H2,1-3H3
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 50n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to LXRalpha by radioligand displacement assay


Bioorg Med Chem Lett 16: 5231-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.081
BindingDB Entry DOI: 10.7270/Q2HD7V80
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM50192131
PNG
(CHEMBL263089 | methyl 2-(ethyl(4-(1,1,1,3,3,3-hexa...)
Show SMILES CCN(c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)C(CC)(C(=O)OC)c1ccccc1
Show InChI InChI=1S/C22H23F6NO3/c1-4-19(18(30)32-3,15-9-7-6-8-10-15)29(5-2)17-13-11-16(12-14-17)20(31,21(23,24)25)22(26,27)28/h6-14,31H,4-5H2,1-3H3
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 70n/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Transactivation of LXRbeta by luciferase reporter gene assay


Bioorg Med Chem Lett 16: 5231-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.081
BindingDB Entry DOI: 10.7270/Q2HD7V80
More data for this
Ligand-Target Pair