BDBM50579714 CHEMBL5076790

SMILES C[C@@H]1CC(=O)Nc2cccc(c2N1)C(=O)NCCCN3CCCc4c3cc(cc4)OC

InChI Key InChIKey=XZQSPHYHBYGJPB-UHFFFAOYSA-N

Data  2 IC50  5 Kd

PDB links: 2 PDB IDs match this monomer.

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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50579714   

TargetCREB-binding protein(Human)
University of Oxford

Curated by ChEMBL
LigandPNGBDBM50579714(CHEMBL5076790)
Affinity DataKd:  466nMAssay 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
LigandPNGBDBM50579714(CHEMBL5076790)
Affinity DataKd:  501nMAssay 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)
TargetCREB-binding protein(Human)
University of Oxford

Curated by ChEMBL
LigandPNGBDBM50579714(CHEMBL5076790)
Affinity DataIC50: 1.40E+3nMAssay Description:Inhibition of human CREBBP by alpha screen 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
LigandPNGBDBM50579714(CHEMBL5076790)
Affinity DataIC50: 1.26E+3nMAssay Description:Inhibition of human CREBBPMore 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
LigandPNGBDBM50579714(CHEMBL5076790)
Affinity DataKd:  2.82E+3nMAssay Description:Binding affinity to human BRD4 bromodomain 1 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)
TargetBromodomain-containing protein 4(Human)
University of Oxford

Curated by ChEMBL
LigandPNGBDBM50579714(CHEMBL5076790)
Affinity DataKd:  3.16E+3nMAssay Description:Binding affinity to human BRD4 bromodomain 1More 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
LigandPNGBDBM50579714(CHEMBL5076790)
Affinity DataKd:  5.80E+3nMAssay 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
PubMedPDB3D3D Structure (crystal)