BindingDB logo
myBDB logout

BDBM50305064 3-(3-(3-(3-methyl-8-(trifluoromethyl)quinolin-4-yl)phenoxy)phenylsulfonyl)propan-1-ol::CHEMBL593472

SMILES: Cc1cnc2c(cccc2c1-c1cccc(Oc2cccc(c2)S(=O)(=O)CCCO)c1)C(F)(F)F

InChI Key: InChIKey=LJZFYKYOXOCPDD-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50305064   
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))
BDBM50305064
PNG
(3-(3-(3-(3-methyl-8-(trifluoromethyl)quinolin-4-yl...)
Show SMILES Cc1cnc2c(cccc2c1-c1cccc(Oc2cccc(c2)S(=O)(=O)CCCO)c1)C(F)(F)F
Show InChI InChI=1S/C26H22F3NO4S/c1-17-16-30-25-22(10-4-11-23(25)26(27,28)29)24(17)18-6-2-7-19(14-18)34-20-8-3-9-21(15-20)35(32,33)13-5-12-31/h2-4,6-11,14-16,31H,5,12-13H2,1H3
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 1.40n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]T0901317 from human recombinant LXRalpha-LBD


Bioorg Med Chem Lett 20: 209-12 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.132
BindingDB Entry DOI: 10.7270/Q2KW5G4B
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50305064
PNG
(3-(3-(3-(3-methyl-8-(trifluoromethyl)quinolin-4-yl...)
Show SMILES Cc1cnc2c(cccc2c1-c1cccc(Oc2cccc(c2)S(=O)(=O)CCCO)c1)C(F)(F)F
Show InChI InChI=1S/C26H22F3NO4S/c1-17-16-30-25-22(10-4-11-23(25)26(27,28)29)24(17)18-6-2-7-19(14-18)34-20-8-3-9-21(15-20)35(32,33)13-5-12-31/h2-4,6-11,14-16,31H,5,12-13H2,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.70n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]T0901317 from human recombinant LXRbeta-LBD


Bioorg Med Chem Lett 20: 209-12 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.132
BindingDB Entry DOI: 10.7270/Q2KW5G4B
More data for this
Ligand-Target Pair