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BDBM50012817 CHEMBL3261330::USRE46024, 19

SMILES: CC(C)c1cc(n[nH]c1=O)S(=O)(=O)c1c(Cl)cc(CC(O)=O)cc1Cl

InChI Key: InChIKey=LLSSPNCWDDLGHB-UHFFFAOYSA-N

Data: 3 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50012817   
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 Beta/ Retinoid X Receptor


(Homo sapiens (Human))
BDBM50012817
PNG
(CHEMBL3261330 | USRE46024, 19)
Show SMILES CC(C)c1cc(n[nH]c1=O)S(=O)(=O)c1c(Cl)cc(CC(O)=O)cc1Cl
Show InChI InChI=1S/C15H14Cl2N2O5S/c1-7(2)9-6-12(18-19-15(9)22)25(23,24)14-10(16)3-8(4-11(14)17)5-13(20)21/h3-4,6-7H,5H2,1-2H3,(H,19,22)(H,20,21)
PDB

KEGG

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

US Patent
n/an/an/an/a 6.98E+3n/an/a7.0n/a



Hoffmann-La Roche Inc

US Patent


Assay Description
Thirty microliters of H6-TRβ (50 nM) in 50 mM Hepes, pH 7.0, 1 mM DTT, 0.05% NP40 and 0.2 mg/ml BSA (Binding Buffer) was mixed with an equal vol...


US Patent USRE46024 (2016)


BindingDB Entry DOI: 10.7270/Q24X56PH
More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (Human))
BDBM50012817
PNG
(CHEMBL3261330 | USRE46024, 19)
Show SMILES CC(C)c1cc(n[nH]c1=O)S(=O)(=O)c1c(Cl)cc(CC(O)=O)cc1Cl
Show InChI InChI=1S/C15H14Cl2N2O5S/c1-7(2)9-6-12(18-19-15(9)22)25(23,24)14-10(16)3-8(4-11(14)17)5-13(20)21/h3-4,6-7H,5H2,1-2H3,(H,19,22)(H,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.44E+4n/an/an/an/a



Madrigal Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Agonist activity at recombinant His6-tagged THR-alpha (unknown origin) expressed in Escherichia coli BL21(DE3) co-expressing RXR preincubated for 30 ...


J Med Chem 57: 3912-23 (2014)


Article DOI: 10.1021/jm4019299
BindingDB Entry DOI: 10.7270/Q23T9JRQ
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (Human))
BDBM50012817
PNG
(CHEMBL3261330 | USRE46024, 19)
Show SMILES CC(C)c1cc(n[nH]c1=O)S(=O)(=O)c1c(Cl)cc(CC(O)=O)cc1Cl
Show InChI InChI=1S/C15H14Cl2N2O5S/c1-7(2)9-6-12(18-19-15(9)22)25(23,24)14-10(16)3-8(4-11(14)17)5-13(20)21/h3-4,6-7H,5H2,1-2H3,(H,19,22)(H,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 6.98E+3n/an/an/an/a



Madrigal Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Agonist activity at recombinant His6-tagged THR-beta (unknown origin) expressed in Escherichia coli BL21(DE3) co-expressing RXR preincubated for 30 m...


J Med Chem 57: 3912-23 (2014)


Article DOI: 10.1021/jm4019299
BindingDB Entry DOI: 10.7270/Q23T9JRQ
More data for this
Ligand-Target Pair