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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Thyroid hormone receptor' and Ligand = 'BDBM50304778'   
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


(Homo sapiens (Human))
BDBM50304778
PNG
(3-(3-chloro-4-(3-(cyclobutylmethylsulfonyl)-4-hydr...)
Show SMILES Cc1cc(NC(=O)CC(O)=O)cc(Cl)c1Oc1ccc(O)c(c1)S(=O)(=O)CC1CCC1
Show InChI InChI=1S/C21H22ClNO7S/c1-12-7-14(23-19(25)10-20(26)27)8-16(22)21(12)30-15-5-6-17(24)18(9-15)31(28,29)11-13-3-2-4-13/h5-9,13,24H,2-4,10-11H2,1H3,(H,23,25)(H,26,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
2.10n/an/an/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Binding affinity to thyroid receptor alpha


Bioorg Med Chem Lett 20: 306-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.109
BindingDB Entry DOI: 10.7270/Q2J38SNP
More data for this
Ligand-Target Pair