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BDBM50192134 2-(4-(benzyl(ethyl)amino)-3-chlorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol::CHEMBL215663

SMILES: CCN(Cc1ccccc1)c1ccc(cc1Cl)C(O)(C(F)(F)F)C(F)(F)F

InChI Key: InChIKey=JGXYOLQIFQNEAN-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 = 50192134   
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))
BDBM50192134
PNG
(2-(4-(benzyl(ethyl)amino)-3-chlorophenyl)-1,1,1,3,...)
Show SMILES CCN(Cc1ccccc1)c1ccc(cc1Cl)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C18H16ClF6NO/c1-2-26(11-12-6-4-3-5-7-12)15-9-8-13(10-14(15)19)16(27,17(20,21)22)18(23,24)25/h3-10,27H,2,11H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
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 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))
BDBM50192134
PNG
(2-(4-(benzyl(ethyl)amino)-3-chlorophenyl)-1,1,1,3,...)
Show SMILES CCN(Cc1ccccc1)c1ccc(cc1Cl)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C18H16ClF6NO/c1-2-26(11-12-6-4-3-5-7-12)15-9-8-13(10-14(15)19)16(27,17(20,21)22)18(23,24)25/h3-10,27H,2,11H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 3n/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))
BDBM50192134
PNG
(2-(4-(benzyl(ethyl)amino)-3-chlorophenyl)-1,1,1,3,...)
Show SMILES CCN(Cc1ccccc1)c1ccc(cc1Cl)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C18H16ClF6NO/c1-2-26(11-12-6-4-3-5-7-12)15-9-8-13(10-14(15)19)16(27,17(20,21)22)18(23,24)25/h3-10,27H,2,11H2,1H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 80n/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-beta


(Homo sapiens (Human))
BDBM50192134
PNG
(2-(4-(benzyl(ethyl)amino)-3-chlorophenyl)-1,1,1,3,...)
Show SMILES CCN(Cc1ccccc1)c1ccc(cc1Cl)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C18H16ClF6NO/c1-2-26(11-12-6-4-3-5-7-12)15-9-8-13(10-14(15)19)16(27,17(20,21)22)18(23,24)25/h3-10,27H,2,11H2,1H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 3n/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