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BDBM50123048 2-(3-chloro-4-(4-hydroxy-3-(morpholinosulfonyl)phenoxy)-5-methylphenyl)-1,2,4-triazine-3,5(2H,4H)-dione::2-{3-Chloro-4-[4-hydroxy-3-(morpholine-4-sulfonyl)-phenoxy]-5-methyl-phenyl}-2H-[1,2,4]triazine-3,5-dione::CHEMBL124145

SMILES: Cc1cc(cc(Cl)c1Oc1ccc(O)c(c1)S(=O)(=O)N1CCOCC1)-n1ncc(=O)[nH]c1=O

InChI Key: InChIKey=HMWYFBZWNFUGKI-UHFFFAOYSA-N

Data: 1 KI  1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50123048   
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))
BDBM50123048
PNG
(2-(3-chloro-4-(4-hydroxy-3-(morpholinosulfonyl)phe...)
Show SMILES Cc1cc(cc(Cl)c1Oc1ccc(O)c(c1)S(=O)(=O)N1CCOCC1)-n1ncc(=O)[nH]c1=O
Show InChI InChI=1S/C20H19ClN4O7S/c1-12-8-13(25-20(28)23-18(27)11-22-25)9-15(21)19(12)32-14-2-3-16(26)17(10-14)33(29,30)24-4-6-31-7-5-24/h2-3,8-11,26H,4-7H2,1H3,(H,23,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
27n/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
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (Human))
BDBM50123048
PNG
(2-(3-chloro-4-(4-hydroxy-3-(morpholinosulfonyl)phe...)
Show SMILES Cc1cc(cc(Cl)c1Oc1ccc(O)c(c1)S(=O)(=O)N1CCOCC1)-n1ncc(=O)[nH]c1=O
Show InChI InChI=1S/C20H19ClN4O7S/c1-12-8-13(25-20(28)23-18(27)11-22-25)9-15(21)19(12)32-14-2-3-16(26)17(10-14)33(29,30)24-4-6-31-7-5-24/h2-3,8-11,26H,4-7H2,1H3,(H,23,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 75.9n/an/an/an/an/an/a



University of Insubria

Curated by ChEMBL


Assay Description
Inhibition of human thyroid hormone receptor beta 1


Bioorg Med Chem 15: 5251-61 (2007)


Article DOI: 10.1016/j.bmc.2007.05.016
BindingDB Entry DOI: 10.7270/Q2PK0HD8
More data for this
Ligand-Target Pair