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BDBM50012916 CHEMBL3261322::USRE46024, 5

SMILES: CC(C)c1cc(Oc2c(Br)cc(CCC(O)=O)cc2Br)n[nH]c1=O

InChI Key: InChIKey=HKODZJFSSDWZGY-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 = 50012916   
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))
BDBM50012916
PNG
(CHEMBL3261322 | USRE46024, 5)
Show SMILES CC(C)c1cc(Oc2c(Br)cc(CCC(O)=O)cc2Br)n[nH]c1=O
Show InChI InChI=1S/C16H16Br2N2O4/c1-8(2)10-7-13(19-20-16(10)23)24-15-11(17)5-9(6-12(15)18)3-4-14(21)22/h5-8H,3-4H2,1-2H3,(H,20,23)(H,21,22)
PDB

KEGG

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

US Patent
n/an/an/an/a 699n/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 (TR-beta)


(Homo sapiens (Human))
BDBM50012916
PNG
(CHEMBL3261322 | USRE46024, 5)
Show SMILES CC(C)c1cc(Oc2c(Br)cc(CCC(O)=O)cc2Br)n[nH]c1=O
Show InChI InChI=1S/C16H16Br2N2O4/c1-8(2)10-7-13(19-20-16(10)23)24-15-11(17)5-9(6-12(15)18)3-4-14(21)22/h5-8H,3-4H2,1-2H3,(H,20,23)(H,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 700n/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
Thyroid hormone receptor


(Homo sapiens (Human))
BDBM50012916
PNG
(CHEMBL3261322 | USRE46024, 5)
Show SMILES CC(C)c1cc(Oc2c(Br)cc(CCC(O)=O)cc2Br)n[nH]c1=O
Show InChI InChI=1S/C16H16Br2N2O4/c1-8(2)10-7-13(19-20-16(10)23)24-15-11(17)5-9(6-12(15)18)3-4-14(21)22/h5-8H,3-4H2,1-2H3,(H,20,23)(H,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 390n/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