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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Thyroid hormone receptor alpha/beta' and Ligand = 'BDBM50477507'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Thyroid hormone receptor alpha/beta


(Homo sapiens (Human))
BDBM50477507
PNG
(CHEMBL248111)
Show SMILES CC(C)c1cc(Oc2c(C)cc(CC3SC(=O)NC3=O)cc2C)ccc1O
Show InChI InChI=1S/C21H23NO4S/c1-11(2)16-10-15(5-6-17(16)23)26-19-12(3)7-14(8-13(19)4)9-18-20(24)22-21(25)27-18/h5-8,10-11,18,23H,9H2,1-4H3,(H,22,24,25)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 0.0800n/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