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BDBM50012911 CHEMBL3261332::USRE46024, 12

SMILES: CC(C)c1cc(Cc2c(Cl)cc(cc2Cl)-n2nc(C#N)c(=O)[nH]c2=O)n[nH]c1=O

InChI Key: InChIKey=ZKWUUZVSYHNCBF-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 = 50012911   
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))
BDBM50012911
PNG
(CHEMBL3261332 | USRE46024, 12)
Show SMILES CC(C)c1cc(Cc2c(Cl)cc(cc2Cl)-n2nc(C#N)c(=O)[nH]c2=O)n[nH]c1=O
Show InChI InChI=1S/C18H14Cl2N6O3/c1-8(2)11-3-9(23-24-16(11)27)4-12-13(19)5-10(6-14(12)20)26-18(29)22-17(28)15(7-21)25-26/h3,5-6,8H,4H2,1-2H3,(H,24,27)(H,22,28,29)
PDB

KEGG

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

US Patent
n/an/an/an/a 133n/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))
BDBM50012911
PNG
(CHEMBL3261332 | USRE46024, 12)
Show SMILES CC(C)c1cc(Cc2c(Cl)cc(cc2Cl)-n2nc(C#N)c(=O)[nH]c2=O)n[nH]c1=O
Show InChI InChI=1S/C18H14Cl2N6O3/c1-8(2)11-3-9(23-24-16(11)27)4-12-13(19)5-10(6-14(12)20)26-18(29)22-17(28)15(7-21)25-26/h3,5-6,8H,4H2,1-2H3,(H,24,27)(H,22,28,29)
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 220n/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))
BDBM50012911
PNG
(CHEMBL3261332 | USRE46024, 12)
Show SMILES CC(C)c1cc(Cc2c(Cl)cc(cc2Cl)-n2nc(C#N)c(=O)[nH]c2=O)n[nH]c1=O
Show InChI InChI=1S/C18H14Cl2N6O3/c1-8(2)11-3-9(23-24-16(11)27)4-12-13(19)5-10(6-14(12)20)26-18(29)22-17(28)15(7-21)25-26/h3,5-6,8H,4H2,1-2H3,(H,24,27)(H,22,28,29)
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 2.75E+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