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BDBM50192149 CHEMBL215130::methyl 4-(2-((2-chloro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl)(ethyl)amino)-2-phenylethoxy)benzoate

SMILES: CCN(C(COc1ccc(cc1)C(=O)OC)c1ccccc1)c1ccc(cc1Cl)C(O)(C(F)(F)F)C(F)(F)F

InChI Key: InChIKey=QGRQWRDAMFVQJV-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 = 50192149   
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))
BDBM50192149
PNG
(CHEMBL215130 | methyl 4-(2-((2-chloro-4-(1,1,1,3,3...)
Show SMILES CCN(C(COc1ccc(cc1)C(=O)OC)c1ccccc1)c1ccc(cc1Cl)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C27H24ClF6NO4/c1-3-35(22-14-11-19(15-21(22)28)25(37,26(29,30)31)27(32,33)34)23(17-7-5-4-6-8-17)16-39-20-12-9-18(10-13-20)24(36)38-2/h4-15,23,37H,3,16H2,1-2H3
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 20n/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))
BDBM50192149
PNG
(CHEMBL215130 | methyl 4-(2-((2-chloro-4-(1,1,1,3,3...)
Show SMILES CCN(C(COc1ccc(cc1)C(=O)OC)c1ccccc1)c1ccc(cc1Cl)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C27H24ClF6NO4/c1-3-35(22-14-11-19(15-21(22)28)25(37,26(29,30)31)27(32,33)34)23(17-7-5-4-6-8-17)16-39-20-12-9-18(10-13-20)24(36)38-2/h4-15,23,37H,3,16H2,1-2H3
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 700n/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-beta


(Homo sapiens (Human))
BDBM50192149
PNG
(CHEMBL215130 | methyl 4-(2-((2-chloro-4-(1,1,1,3,3...)
Show SMILES CCN(C(COc1ccc(cc1)C(=O)OC)c1ccccc1)c1ccc(cc1Cl)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C27H24ClF6NO4/c1-3-35(22-14-11-19(15-21(22)28)25(37,26(29,30)31)27(32,33)34)23(17-7-5-4-6-8-17)16-39-20-12-9-18(10-13-20)24(36)38-2/h4-15,23,37H,3,16H2,1-2H3
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 200n/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
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
BDBM50192149
PNG
(CHEMBL215130 | methyl 4-(2-((2-chloro-4-(1,1,1,3,3...)
Show SMILES CCN(C(COc1ccc(cc1)C(=O)OC)c1ccccc1)c1ccc(cc1Cl)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C27H24ClF6NO4/c1-3-35(22-14-11-19(15-21(22)28)25(37,26(29,30)31)27(32,33)34)23(17-7-5-4-6-8-17)16-39-20-12-9-18(10-13-20)24(36)38-2/h4-15,23,37H,3,16H2,1-2H3
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 60n/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