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BDBM50123047 2-{3-Chloro-4-[4-hydroxy-3-(4-methyl-piperazine-1-sulfonyl)-phenoxy]-5-methyl-phenyl}-2H-[1,2,4]triazine-3,5-dione::CHEMBL127338

SMILES: CN1CCN(CC1)S(=O)(=O)c1cc(Oc2c(C)cc(cc2Cl)-n2ncc(=O)[nH]c2=O)ccc1O

InChI Key: InChIKey=DAJCENZLWJTVJS-UHFFFAOYSA-N

Data: 1 KI

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50123047   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (Human))
BDBM50123047
PNG
(2-{3-Chloro-4-[4-hydroxy-3-(4-methyl-piperazine-1-...)
Show SMILES CN1CCN(CC1)S(=O)(=O)c1cc(Oc2c(C)cc(cc2Cl)-n2ncc(=O)[nH]c2=O)ccc1O
Show InChI InChI=1S/C21H22ClN5O6S/c1-13-9-14(27-21(30)24-19(29)12-23-27)10-16(22)20(13)33-15-3-4-17(28)18(11-15)34(31,32)26-7-5-25(2)6-8-26/h3-4,9-12,28H,5-8H2,1-2H3,(H,24,29,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
13n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-T3 binding to human TRbeta1 receptor


Bioorg Med Chem Lett 13: 379-82 (2003)


BindingDB Entry DOI: 10.7270/Q26T0KZB
More data for this
Ligand-Target Pair