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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 = 'BDBM50163897'   
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))
BDBM50163897
PNG
(3-[4-(3-Isopropyl-1H-indol-5-yloxy)-3,5-bis-triflu...)
Show SMILES CC(C)c1c[nH]c2ccc(Oc3c(cc(CCC(O)=O)cc3C(F)(F)F)C(F)(F)F)cc12
Show InChI InChI=1S/C22H19F6NO3/c1-11(2)15-10-29-18-5-4-13(9-14(15)18)32-20-16(21(23,24)25)7-12(3-6-19(30)31)8-17(20)22(26,27)28/h4-5,7-11,29H,3,6H2,1-2H3,(H,30,31)
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PC cid
PC sid
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Patents


Similars

Article
PubMed
n/an/an/an/a 2.60n/an/an/an/a



BAYER HealthCare AG

Curated by ChEMBL


Assay Description
Agonist activity towards thyroid hormone receptor expressed in human HepG2 cells


Bioorg Med Chem Lett 15: 1835-40 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.028
BindingDB Entry DOI: 10.7270/Q290239F
More data for this
Ligand-Target Pair