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BDBM50477505 CHEMBL248515

SMILES: CC(C)c1cc(Oc2c(C)cc3c(CC(O)=O)coc3c2C)ccc1O

InChI Key: InChIKey=XGIXEBKNKXHCMD-UHFFFAOYSA-N

Data: 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 1 hit for monomerid = 50477505   
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
Thyroid Hormone Receptor (TR-alpha)/(TR-beta)


(Homo sapiens (Human))
BDBM50477505
PNG
(CHEMBL248515)
Show SMILES CC(C)c1cc(Oc2c(C)cc3c(CC(O)=O)coc3c2C)ccc1O
Show InChI InChI=1S/C21H22O5/c1-11(2)16-9-15(5-6-18(16)22)26-20-12(3)7-17-14(8-19(23)24)10-25-21(17)13(20)4/h5-7,9-11,22H,8H2,1-4H3,(H,23,24)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 0.300n/an/an/an/a



Bayer HealthCare AG

Curated by ChEMBL


Assay Description
Agonist activity at THR in HepG2 cells by whole cell assay


Bioorg Med Chem Lett 17: 3992-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.085
BindingDB Entry DOI: 10.7270/Q2251N06
More data for this
Ligand-Target Pair