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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'thyroid beta' and Ligand = 'BDBM50036408'   
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)
BDBM50036408
PNG
(CHEMBL161828 | N-{4-[3-(4-Chloro-benzyl)-4-hydroxy...)
Show SMILES Cc1cc(NC(=O)C(O)=O)cc(C)c1Oc1ccc(O)c(Cc2ccc(Cl)cc2)c1
Show InChI InChI=1S/C23H20ClNO5/c1-13-9-18(25-22(27)23(28)29)10-14(2)21(13)30-19-7-8-20(26)16(12-19)11-15-3-5-17(24)6-4-15/h3-10,12,26H,11H2,1-2H3,(H,25,27)(H,28,29)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 0.430n/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)
BDBM50036408
PNG
(CHEMBL161828 | N-{4-[3-(4-Chloro-benzyl)-4-hydroxy...)
Show SMILES Cc1cc(NC(=O)C(O)=O)cc(C)c1Oc1ccc(O)c(Cc2ccc(Cl)cc2)c1
Show InChI InChI=1S/C23H20ClNO5/c1-13-9-18(25-22(27)23(28)29)10-14(2)21(13)30-19-7-8-20(26)16(12-19)11-15-3-5-17(24)6-4-15/h3-10,12,26H,11H2,1-2H3,(H,25,27)(H,28,29)
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