BDBM50578787 CHEMBL4874801

SMILES COCCNc1nc2cnc3cc(-c4c(C)noc4C)c(OC)cc3c2n1[C@H](C)c1ccccn1

InChI Key InChIKey=VNTLEGVQLWKYEU-UHFFFAOYSA-N

Data  5 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50578787   

TargetBromodomain-containing protein 4(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50578787(CHEMBL4874801)
Affinity DataIC50: 13nMAssay Description:Displacement of Alexa Fluor 647 labelled ligand from recombinant human N-terminal 6His-tagged BRD4-BD1 Y390A mutant (1 to 477 residue) expressed in E...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/24/2022
Entry Details Article
PubMed
TargetBromodomain-containing protein 4(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50578787(CHEMBL4874801)
Affinity DataIC50: 25nMAssay Description:Inhibition of BRD4 in human PBMC assessed as reduction in LPS-induced IL-6 secretion incubated for 18 to 24 hrs by MSD assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/24/2022
Entry Details Article
PubMed
TargetBromodomain-containing protein 4(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50578787(CHEMBL4874801)
Affinity DataIC50: 158nMAssay Description:Inhibition of BRD4 in human whole blood assessed as reduction in LPS-induced IL-6 secretion preincubated for 30 mins followed by LPS stimulation and ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/24/2022
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50578787(CHEMBL4874801)
Affinity DataIC50: 7.90E+3nMAssay Description:Inhibition of recombinant human CYP3A4 expressed in Escherichia coli using VG as probe substrate incubated for 15 to 60 mins by fluorometric assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/24/2022
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50578787(CHEMBL4874801)
Affinity DataIC50: 7.90E+3nMAssay Description:Inhibition of recombinant human CYP2C9 expressed in Escherichia coli using FCA as substrate incubated for 15 to 60 mins by fluorometric assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/24/2022
Entry Details Article
PubMed