BDBM50273645 CHEMBL4129171

SMILES Cc1c(c(on1)C)c2cc(cc(c2)O)[C@H](c3cccnc3)O

InChI Key InChIKey=RFDVEAHRRMEOHK-UHFFFAOYSA-N

Data  2 IC50  1 Kd

PDB links: 2 PDB IDs match this monomer.

  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 3 hits for monomerid = 50273645   

TargetBromodomain-containing protein 4(Human)
University of Oxford

Curated by ChEMBL
LigandPNGBDBM50273645(CHEMBL4129171)
Affinity DataIC50: 166nMAssay Description:Inhibition of recombinant His6-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells preincubated for 30 mins follo...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/8/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetBromodomain-containing protein 4(Human)
University of Oxford

Curated by ChEMBL
LigandPNGBDBM50273645(CHEMBL4129171)
Affinity DataKd:  247nMAssay Description:Binding affinity to His6-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells by isothermal titration calorimetric...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/8/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetBromodomain-containing protein 4(Human)
University of Oxford

Curated by ChEMBL
LigandPNGBDBM50273645(CHEMBL4129171)
Affinity DataIC50: 166nMAssay Description:Inhibition of recombinant His6-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells preincubated for 30 mins follo...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/8/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)