BDBM50584925 CHEMBL5079885

SMILES [H][C@]12Cc3ccccc3[C@]([H])([C@H](NC1=O)C(C)C)N2C(=O)c1cc(NC2CCN(CC(C)(C)F)CC2)c2nnc(C)n2n1

InChI Key InChIKey=NGXAMXNWIHBLBN-JIMJEQGWSA-N

Data  9 IC50  15 Kd

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50584925   

TargetBromodomain-containing protein 4(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50584925(CHEMBL5079885)
Affinity DataIC50:  2.00E+4nMAssay Description:Displacement of Alexafluor 647-JQ1 from GST-BRD4 BD1 BD2 (44 to 460 residues) (unknown origin) incubated for 60 mins by fluorescence polarization ass...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50584925(CHEMBL5079885)
Affinity DataIC50:  1.00E+4nMAssay Description:Displacement of Halo-tagged Histone H3.3 from Nanoluc-BRD4 BD1/BD2 (44 to 460 residues) (unknown origin) transfected in human HCT116 cells incubated ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed