BDBM50534816 CHEMBL4591500

SMILES COc1nnc2ccc(nn12)N1CCC(CC1)c1ccc(OCCN2[C@@H](C)CN(C[C@H]2C)C(C)=O)cc1

InChI Key InChIKey=MBUCDQZCQATXCS-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 = 50534816   

TargetBromodomain-containing protein 4(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50534816(CHEMBL4591500)
Affinity DataKi:  1.60nMAssay 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
LigandPNGBDBM50534816(CHEMBL4591500)
Affinity DataIC50: 1.60nMAssay 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
LigandPNGBDBM50534816(CHEMBL4591500)
Affinity DataIC50: 2nMAssay 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
LigandPNGBDBM50534816(CHEMBL4591500)
Affinity DataKi:  16nMAssay 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
LigandPNGBDBM50534816(CHEMBL4591500)
Affinity DataKi:  50nMAssay 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