BDBM50559314 CHEMBL4741587

SMILES CCc1c(c([nH]c1C(=O)NCc2c(ccc3c2c(ccc3)O)O)C)C(=O)C

InChI Key InChIKey=KCGVENSOXCWCNF-UHFFFAOYSA-N

Data  4 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 4 hits for monomerid = 50559314   

TargetBromodomain-containing protein 4(Human)
Albert-Ludwigs-Universit£T Freiburg

Curated by ChEMBL
LigandPNGBDBM50559314(CHEMBL4741587)
Affinity DataKd: >4.00E+3nMAssay Description:Binding affinity to human BRD4 BD1 (N44 to E168 aa residues) by bromoKdELECT Discover assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/27/2022
Entry Details Article
PubMed
TargetBromodomain-containing protein 9(Human)
Albert-Ludwigs-Universit£T Freiburg

Curated by ChEMBL
LigandPNGBDBM50559314(CHEMBL4741587)
Affinity DataKd:  2.90E+3nMAssay Description:Binding affinity to human partial length BRD9 (R130 to V259 residues) by bromoKdELECT Discover assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/27/2022
Entry Details Article
PubMed
TargetCREB-binding protein(Human)
Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM50559314(CHEMBL4741587)
Affinity DataKd:  230nMAssay Description:Binding affinity to human His-Tev tagged CBP expressed in bacterial expression system incubated for 30 mins by isothermal titration calorimetryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/28/2022
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetHistone acetyltransferase p300(Human)
Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM50559314(CHEMBL4741587)
Affinity DataKd:  470nMAssay Description:Binding affinity to human His-Tev tagged EP300 expressed in bacterial expression system incubated for 30 mins by isothermal titration calorimetryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/28/2022
Entry Details Article
PubMedPDB3D3D Structure (crystal)