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BDBM50465711 CHEMBL1316881

SMILES: CN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1ccc2OCCOc2c1

InChI Key: InChIKey=XITZPIXICJOKTF-UHFFFAOYSA-N

Data: 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 2 hits for monomerid = 50465711   
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))
BDBM50465711
PNG
(CHEMBL1316881)
Show SMILES CN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1ccc2OCCOc2c1
Show InChI InChI=1S/C18H15F3N2O4/c1-23(9-15(24)22-12-4-3-11(19)16(20)17(12)21)18(25)10-2-5-13-14(8-10)27-7-6-26-13/h2-5,8H,6-7,9H2,1H3,(H,22,24)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 150n/an/an/an/a



Saint Louis University School of Medicine

Curated by ChEMBL


Assay Description
Agonist activity at human LXRalpha-LBD (182 to 447 amino acids) expressed in HEK293T cells by luciferase reporter gene assay


J Med Chem 61: 10935-10956 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00045
BindingDB Entry DOI: 10.7270/Q2SX6GX7
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM50465711
PNG
(CHEMBL1316881)
Show SMILES CN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1ccc2OCCOc2c1
Show InChI InChI=1S/C18H15F3N2O4/c1-23(9-15(24)22-12-4-3-11(19)16(20)17(12)21)18(25)10-2-5-13-14(8-10)27-7-6-26-13/h2-5,8H,6-7,9H2,1H3,(H,22,24)
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 530n/an/an/an/a



Saint Louis University School of Medicine

Curated by ChEMBL


Assay Description
Agonist activity at human LXRbeta-LBD (196 to 461 amino acids) expressed in HEK293T cells by luciferase reporter gene assay


J Med Chem 61: 10935-10956 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00045
BindingDB Entry DOI: 10.7270/Q2SX6GX7
More data for this
Ligand-Target Pair