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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'thyroid beta' and Ligand = 'BDBM50036398'   
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 beta


(RAT)
BDBM50036398
PNG
(CHEMBL162692 | [3,5-Dibromo-4-(4-hydroxy-3-isoprop...)
Show SMILES CC(C)c1cc(Oc2c(Br)cc(SCC(O)=O)cc2Br)ccc1O
Show InChI InChI=1S/C17H16Br2O4S/c1-9(2)12-5-10(3-4-15(12)20)23-17-13(18)6-11(7-14(17)19)24-8-16(21)22/h3-7,9,20H,8H2,1-2H3,(H,21,22)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 1.5n/an/an/an/an/an/a



Ciba Pharmaceuticals

Curated by ChEMBL


Assay Description
Ability to inhibit the bound [125I]L-T3 rat liver Nuclear L-triiodothyronine receptor is determined in vitro.


J Med Chem 38: 695-707 (1995)


BindingDB Entry DOI: 10.7270/Q2T43TRC
More data for this
Ligand-Target Pair
thyroid beta


(RAT)
BDBM50036398
PNG
(CHEMBL162692 | [3,5-Dibromo-4-(4-hydroxy-3-isoprop...)
Show SMILES CC(C)c1cc(Oc2c(Br)cc(SCC(O)=O)cc2Br)ccc1O
Show InChI InChI=1S/C17H16Br2O4S/c1-9(2)12-5-10(3-4-15(12)20)23-17-13(18)6-11(7-14(17)19)24-8-16(21)22/h3-7,9,20H,8H2,1-2H3,(H,21,22)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a>5.00E+3n/an/an/an/an/an/a



Ciba Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of bound [125I]L-T3 rat plasma membrane 3,5,3'' L-triiodothyronine receptor


J Med Chem 38: 695-707 (1995)


BindingDB Entry DOI: 10.7270/Q2T43TRC
More data for this
Ligand-Target Pair