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2 similar compounds to monomer 50012906

Compile data set for download or QSAR
Wt: 357.1
BDBM50012901
Wt: 336.7
BDBM50012859

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50012901,50012859   
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))
BDBM50012859
PNG
(CHEMBL3261319 | USRE46024, 2)
Show SMILES CC(C)c1cc(Oc2c(C)cc(CC(O)=O)cc2Cl)n[nH]c1=O
Show InChI InChI=1S/C16H17ClN2O4/c1-8(2)11-7-13(18-19-16(11)22)23-15-9(3)4-10(5-12(15)17)6-14(20)21/h4-5,7-8H,6H2,1-3H3,(H,19,22)(H,20,21)
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UniChem

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US Patent
n/an/an/an/a 7.31E+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 Beta/ Retinoid X Receptor


(Homo sapiens (Human))
BDBM50012901
PNG
(CHEMBL3261320 | USRE46024, 4)
Show SMILES CC(C)c1cc(Oc2c(Cl)cc(CC(O)=O)cc2Cl)n[nH]c1=O
Show InChI InChI=1S/C15H14Cl2N2O4/c1-7(2)9-6-12(18-19-15(9)22)23-14-10(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

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GoogleScholar
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PC sid
UniChem

Similars

US Patent
n/an/an/an/a 2.33E+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 (TR-beta)


(Homo sapiens (Human))
BDBM50012901
PNG
(CHEMBL3261320 | USRE46024, 4)
Show SMILES CC(C)c1cc(Oc2c(Cl)cc(CC(O)=O)cc2Cl)n[nH]c1=O
Show InChI InChI=1S/C15H14Cl2N2O4/c1-7(2)9-6-12(18-19-15(9)22)23-14-10(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

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Article
PubMed
n/an/an/an/a 2.38E+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
Thyroid hormone receptor


(Homo sapiens (Human))
BDBM50012901
PNG
(CHEMBL3261320 | USRE46024, 4)
Show SMILES CC(C)c1cc(Oc2c(Cl)cc(CC(O)=O)cc2Cl)n[nH]c1=O
Show InChI InChI=1S/C15H14Cl2N2O4/c1-7(2)9-6-12(18-19-15(9)22)23-14-10(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

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UniChem

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Article
PubMed
n/an/an/an/a 7.01E+3n/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


(Homo sapiens (Human))
BDBM50012859
PNG
(CHEMBL3261319 | USRE46024, 2)
Show SMILES CC(C)c1cc(Oc2c(C)cc(CC(O)=O)cc2Cl)n[nH]c1=O
Show InChI InChI=1S/C16H17ClN2O4/c1-8(2)11-7-13(18-19-16(11)22)23-15-9(3)4-10(5-12(15)17)6-14(20)21/h4-5,7-8H,6H2,1-3H3,(H,19,22)(H,20,21)
PDB
MMDB

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Article
PubMed
n/an/an/an/a 1.20E+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))
BDBM50012859
PNG
(CHEMBL3261319 | USRE46024, 2)
Show SMILES CC(C)c1cc(Oc2c(C)cc(CC(O)=O)cc2Cl)n[nH]c1=O
Show InChI InChI=1S/C16H17ClN2O4/c1-8(2)11-7-13(18-19-16(11)22)23-15-9(3)4-10(5-12(15)17)6-14(20)21/h4-5,7-8H,6H2,1-3H3,(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

Patents


Similars

Article
PubMed
n/an/an/an/a 7.01E+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