BDBM50012905 CHEMBL3261331::USRE46024, 8

SMILES CC(C)c1cc(Oc2c(Cl)cc(cc2Cl)-n2nc(C#N)c(=O)[nH]c2=O)n[nH]c1=O

InChI Key InChIKey=FDBYIYFVSAHJLY-UHFFFAOYSA-N

Data  4 IC50  5 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50012905   

TargetRetinoic acid receptor RXR-alpha [225-462]/Thyroid hormone receptor beta [148-410](Homo sapiens (Human))
Hoffmann-La Roche

US Patent
LigandPNGBDBM50012905(CHEMBL3261331 | USRE46024, 8)
Affinity DataEC50:  192nMpH: 7.0Assay 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...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetCytochrome P450 2C9(Homo sapiens (Human))
Madrigal Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50012905(CHEMBL3261331 | USRE46024, 8)
Affinity DataIC50:  2.20E+4nMAssay Description:Inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Madrigal Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50012905(CHEMBL3261331 | USRE46024, 8)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A5(Homo sapiens (Human))
Madrigal Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50012905(CHEMBL3261331 | USRE46024, 8)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of CYP3A5 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetThyroid hormone receptor beta(Homo sapiens (Human))
Guangzhou Institutes Of Biomedicine And Health

Curated by ChEMBL
LigandPNGBDBM50012905(CHEMBL3261331 | USRE46024, 8)
Affinity DataEC50:  167nMAssay Description:Agonist activity at human TR beta LBD (202 to 461 residues) expressed in Escherichia coli BL21 (DE3) cells assessed as induction of N-terminal biotin...More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetThyroid hormone receptor alpha(Homo sapiens (Human))
Madrigal Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50012905(CHEMBL3261331 | USRE46024, 8)
Affinity DataEC50:  3.74E+3nMAssay Description:Agonist activity at recombinant His6-tagged THR-alpha (unknown origin) expressed in Escherichia coli BL21(DE3) co-expressing RXR preincubated for 30 ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetThyroid hormone receptor beta(Homo sapiens (Human))
Guangzhou Institutes Of Biomedicine And Health

Curated by ChEMBL
LigandPNGBDBM50012905(CHEMBL3261331 | USRE46024, 8)
Affinity DataEC50:  210nMAssay Description:Agonist activity at recombinant His6-tagged THR-beta (unknown origin) expressed in Escherichia coli BL21(DE3) co-expressing RXR preincubated for 30 m...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetThyroid hormone receptor alpha(Homo sapiens (Human))
Madrigal Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50012905(CHEMBL3261331 | USRE46024, 8)
Affinity DataEC50:  2.74E+3nMAssay Description:Agonist activity at wild type human TR alpha LBD expressed in Escherichia coli BL21 (DE3) assessed as induction of N-terminal biotinylated coactivato...More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCytochrome P450 2C19(Homo sapiens (Human))
Madrigal Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50012905(CHEMBL3261331 | USRE46024, 8)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of CYP2C19 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed