BDBM50579714 CHEMBL5076790

SMILES COc1ccc2CCCN(CCCNC(=O)c3cccc4NC(=O)C[C@@H](C)Nc34)c2c1

InChI Key InChIKey=XZQSPHYHBYGJPB-MRXNPFEDSA-N

Data  2 IC50  5 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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Similarity at least:  must be >=0.5
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
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMedPDB3D3D 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
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMedPDB3D3D 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
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMedPDB3D3D 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
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMedPDB3D3D 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
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMedPDB3D3D 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
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMedPDB3D3D 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
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)