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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'thyroid beta' and Ligand = 'BDBM18865'   
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)
BDBM18865
PNG
(3-{3,5-dibromo-4-[4-hydroxy-3-(propan-2-yl)phenoxy...)
Show SMILES CC(C)c1cc(Oc2c(Br)cc(CCC(O)=O)cc2Br)ccc1O
Show InChI InChI=1S/C18H18Br2O4/c1-10(2)13-9-12(4-5-16(13)21)24-18-14(19)7-11(8-15(18)20)3-6-17(22)23/h4-5,7-10,21H,3,6H2,1-2H3,(H,22,23)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents

PDB
PubMed
n/an/a 0.110n/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
3D
3D Structure (crystal)
thyroid beta


(RAT)
BDBM18865
PNG
(3-{3,5-dibromo-4-[4-hydroxy-3-(propan-2-yl)phenoxy...)
Show SMILES CC(C)c1cc(Oc2c(Br)cc(CCC(O)=O)cc2Br)ccc1O
Show InChI InChI=1S/C18H18Br2O4/c1-10(2)13-9-12(4-5-16(13)21)24-18-14(19)7-11(8-15(18)20)3-6-17(22)23/h4-5,7-10,21H,3,6H2,1-2H3,(H,22,23)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents

PDB
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
3D
3D Structure (crystal)