BDBM50579715 CHEMBL5089448

SMILES C[C@@H]1CC(=O)Nc2cccc(c2N1)/C=C/CCCN3CCCc4c3cc(cc4)OC

InChI Key InChIKey=VBTDHMQUNCGCSZ-UHFFFAOYSA-N

Data  5 Kd

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50579715   

TargetCREB-binding protein(Human)
University of Oxford

Curated by ChEMBL
LigandPNGBDBM50579715(CHEMBL5089448)
Affinity DataKd:  102nMAssay Description:Binding affinity to human CREBBP bromodomain expressed in Escherichia coli BL21 (DE3)-RIL assessed as dissociation constant by ITC assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/4/2023
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCREB-binding protein(Human)
University of Oxford

Curated by ChEMBL
LigandPNGBDBM50579715(CHEMBL5089448)
Affinity DataKd:  100nMAssay Description:Binding affinity to human CREBBP bromodomain expressed in Escherichia coli BL21 (DE3)-RILMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/4/2023
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetBromodomain-containing protein 4(Human)
University of Oxford

Curated by ChEMBL
LigandPNGBDBM50579715(CHEMBL5089448)
Affinity DataKd:  1.03E+4nMAssay Description:Binding affinity to human BRD4 bromodomain 1 assessed as dissociation constant by NMR analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/4/2023
Entry Details Article
PubMed
TargetCREB-binding protein(Human)
University of Oxford

Curated by ChEMBL
LigandPNGBDBM50579715(CHEMBL5089448)
Affinity DataKd:  200nMAssay Description:Binding affinity to human CREBBP assessed as dissociation constant by BROMOscan assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/4/2023
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetHistone acetyltransferase p300(Human)
University of Oxford

Curated by ChEMBL
LigandPNGBDBM50579715(CHEMBL5089448)
Affinity DataKd:  240nMAssay Description:Binding affinity to human EP300 assessed as dissociation constant by BROMOscan assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/4/2023
Entry Details Article
PubMedPDB3D3D Structure (crystal)