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BDBM50177020 CHEMBL3815113

SMILES: FC(F)(F)c1ccc(CN2CCN(CC2c2ccccc2)c2ccccc2)cn1

InChI Key: InChIKey=MGAXXAQFWJEKCP-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 = 50177020   
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))
BDBM50177020
PNG
(CHEMBL3815113)
Show SMILES FC(F)(F)c1ccc(CN2CCN(CC2c2ccccc2)c2ccccc2)cn1
Show InChI InChI=1S/C23H22F3N3/c24-23(25,26)22-12-11-18(15-27-22)16-29-14-13-28(20-9-5-2-6-10-20)17-21(29)19-7-3-1-4-8-19/h1-12,15,21H,13-14,16-17H2
PDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/an/an/a>2.00E+4n/an/an/an/a



Vitae Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human LXRbeta ligand binding domain(155 to 460 residues) transfected in HEK293 cells after 16 hrs by Gal4-luciferase reporter gen...


J Med Chem 59: 3264-71 (2016)


BindingDB Entry DOI: 10.7270/Q2XP76V7
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
BDBM50177020
PNG
(CHEMBL3815113)
Show SMILES FC(F)(F)c1ccc(CN2CCN(CC2c2ccccc2)c2ccccc2)cn1
Show InChI InChI=1S/C23H22F3N3/c24-23(25,26)22-12-11-18(15-27-22)16-29-14-13-28(20-9-5-2-6-10-20)17-21(29)19-7-3-1-4-8-19/h1-12,15,21H,13-14,16-17H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

PubMed
n/an/an/an/a>2.00E+4n/an/an/an/a



Vitae Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human LXRalpha ligand binding domain(167 to 447 residues) transfected in HEK293 cells after 16 hrs by Gal4-luciferase reporter ge...


J Med Chem 59: 3264-71 (2016)


BindingDB Entry DOI: 10.7270/Q2XP76V7
More data for this
Ligand-Target Pair