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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'thyroid beta' and Ligand = 'BDBM50036424'   
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)
BDBM50036424
PNG
(CHEMBL159334 | N-{3,5-Dichloro-4-[3-(4-fluoro-benz...)
Show SMILES OC(=O)C(=O)Nc1cc(Cl)c(Oc2ccc(O)c(c2)C(=O)c2ccc(F)cc2)c(Cl)c1
Show InChI InChI=1S/C21H12Cl2FNO6/c22-15-7-12(25-20(28)21(29)30)8-16(23)19(15)31-13-5-6-17(26)14(9-13)18(27)10-1-3-11(24)4-2-10/h1-9,26H,(H,25,28)(H,29,30)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 0.370n/an/an/an/an/an/a



Ciba Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of the bound [125I]L-T3 rat liver nuclear L-triiodothyronine receptor


J Med Chem 38: 695-707 (1995)


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


(RAT)
BDBM50036424
PNG
(CHEMBL159334 | N-{3,5-Dichloro-4-[3-(4-fluoro-benz...)
Show SMILES OC(=O)C(=O)Nc1cc(Cl)c(Oc2ccc(O)c(c2)C(=O)c2ccc(F)cc2)c(Cl)c1
Show InChI InChI=1S/C21H12Cl2FNO6/c22-15-7-12(25-20(28)21(29)30)8-16(23)19(15)31-13-5-6-17(26)14(9-13)18(27)10-1-3-11(24)4-2-10/h1-9,26H,(H,25,28)(H,29,30)
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