BDBM50534822 CHEMBL4436251

SMILES C[C@H]1N(CCOc2ccc(cc2)C2CCN(CC2)c2ccc3nnc(C)n3n2)CCN(C)C1=O

InChI Key InChIKey=XSUMFWATWKFKKX-UHFFFAOYSA-N

Data  3 KI  2 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 = 50534822   

TargetBromodomain-containing protein 4(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50534822(CHEMBL4436251)
Affinity DataKi:  16nMAssay Description:Displacement of Alexa647-labeled JQ1 derivative from wild type BRD4 tandem domain (44 to 460 residues) (unknown origin) incubated for 1 hr by fluores...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/28/2021
Entry Details Article
PubMed
TargetBromodomain-containing protein 4(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50534822(CHEMBL4436251)
Affinity DataIC50: 25nMAssay Description:Inhibition of BRD4 in human MM1S cells assessed as down regulation of c-Myc incubated for 16 hrs by flow cytometryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/28/2021
Entry Details Article
PubMed
TargetBromodomain-containing protein 4(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50534822(CHEMBL4436251)
Affinity DataIC50: 40nMAssay Description:Inhibition of BRD4 in human MCF7 cells assessed as down regulation of ERalpha after 18 to 24 hrs by Hoechst staining based cellomics arrayscan analys...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/28/2021
Entry Details Article
PubMed
TargetBromodomain-containing protein 4(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50534822(CHEMBL4436251)
Affinity DataKi:  200nMAssay Description:Displacement of Alexa647-labeled JQ1 derivative from wild type BRD4 bromodomain 1 (44 to 460 residues) N140A mutant (unknown origin) incubated for 1 ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/28/2021
Entry Details Article
PubMed
TargetBromodomain-containing protein 4(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50534822(CHEMBL4436251)
Affinity DataKi:  251nMAssay Description:Displacement of Alexa647-labeled JQ1 derivative from wild type BRD4 bromodomain 2 (44 to 460 residues) N433A mutant (unknown origin) incubated for 1 ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/28/2021
Entry Details Article
PubMed