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BDBM50317747 4-(2',4'-difluoro-5'-(methylsulfonyl)biphenyl-3-yl)-8-(trifluoromethyl)quinoline::CHEMBL1097140

SMILES: CS(=O)(=O)c1cc(c(F)cc1F)-c1cccc(c1)-c1ccnc2c(cccc12)C(F)(F)F

InChI Key: InChIKey=UWFHFVAFWATDDO-UHFFFAOYSA-N

Data: 2 IC50  1 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 3 hits for monomerid = 50317747   
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))
BDBM50317747
PNG
(4-(2',4'-difluoro-5'-(methylsulfonyl)biphenyl-3-yl...)
Show SMILES CS(=O)(=O)c1cc(c(F)cc1F)-c1cccc(c1)-c1ccnc2c(cccc12)C(F)(F)F
Show InChI InChI=1S/C23H14F5NO2S/c1-32(30,31)21-11-17(19(24)12-20(21)25)14-5-2-4-13(10-14)15-8-9-29-22-16(15)6-3-7-18(22)23(26,27)28/h2-12H,1H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 4.90n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]T0901317 from LXRbeta ligand binding domain


Bioorg Med Chem Lett 20: 2903-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.031
BindingDB Entry DOI: 10.7270/Q2TD9XJZ
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
BDBM50317747
PNG
(4-(2',4'-difluoro-5'-(methylsulfonyl)biphenyl-3-yl...)
Show SMILES CS(=O)(=O)c1cc(c(F)cc1F)-c1cccc(c1)-c1ccnc2c(cccc12)C(F)(F)F
Show InChI InChI=1S/C23H14F5NO2S/c1-32(30,31)21-11-17(19(24)12-20(21)25)14-5-2-4-13(10-14)15-8-9-29-22-16(15)6-3-7-18(22)23(26,27)28/h2-12H,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 25n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]T0901317 from LXRalpha ligand binding domain


Bioorg Med Chem Lett 20: 2903-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.031
BindingDB Entry DOI: 10.7270/Q2TD9XJZ
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM50317747
PNG
(4-(2',4'-difluoro-5'-(methylsulfonyl)biphenyl-3-yl...)
Show SMILES CS(=O)(=O)c1cc(c(F)cc1F)-c1cccc(c1)-c1ccnc2c(cccc12)C(F)(F)F
Show InChI InChI=1S/C23H14F5NO2S/c1-32(30,31)21-11-17(19(24)12-20(21)25)14-5-2-4-13(10-14)15-8-9-29-22-16(15)6-3-7-18(22)23(26,27)28/h2-12H,1H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 565n/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant LXRbeta ligand binding domain in HuH7 cells by Gal4 transactivation assay


Bioorg Med Chem Lett 20: 2903-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.031
BindingDB Entry DOI: 10.7270/Q2TD9XJZ
More data for this
Ligand-Target Pair