BDBM50544597 GSK778

SMILES COCc1nc2cnc3cc(-c4c(C)noc4C)c(OC[C@H]4CCNC4)cc3c2n1[C@H](C)c1ccccc1

InChI Key InChIKey=ZORLJXWXFABTPZ-CTNGQTDRSA-N

Data  11 IC50  4 Kd

PDB links: 2 PDB IDs match 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 15 hits for monomerid = 50544597   

TargetBromodomain-containing protein 2(Homo sapiens (Human))
Gsk

Curated by ChEMBL
LigandPNGBDBM50544597(GSK778)
Affinity DataIC50:  79nMAssay Description:Displacement of Alexa Fluor 647 labelled I-BET762 from N-terminal His6-tagged human BRD2 BD1 (1 to 473 residues)/BD2 Y386A mutant expressed in Escher...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBromodomain-containing protein 4(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50544597(GSK778)
Affinity DataIC50:  5.84E+3nMAssay Description:Inhibition of BRD4 BD2 (unknown origin) by TR-FRET assayMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetBromodomain-containing protein 4(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50544597(GSK778)
Affinity DataIC50:  40nMAssay Description:Displacement of Alexa Fluor 647 labelled I-BET762 from N-terminal His6-tagged human BRD4 BD1 (1 to 477 residues)/BD2 Y390A mutant expressed in Escher...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBromodomain testis-specific protein(Homo sapiens (Human))
Gsk

Curated by ChEMBL
LigandPNGBDBM50544597(GSK778)
Affinity DataIC50:  158nMAssay Description:Displacement of Alexa Fluor 647 labelled I-BET762 from N-terminal His6-tagged human BRDT BD1 (1 to 397 residues)/BD2 Y309A mutant expressed in Escher...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBromodomain-containing protein 2(Homo sapiens (Human))
Gsk

Curated by ChEMBL
LigandPNGBDBM50544597(GSK778)
Affinity DataIC50:  3.16E+3nMAssay Description:Displacement of Alexa Fluor 647 labelled I-BET762 from N-terminal His6-tagged human BRD2 BD2 (1 to 473 residues)/BD1 Y113A mutant expressed in Escher...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBromodomain-containing protein 3(Homo sapiens (Human))
Gsk

Curated by ChEMBL
LigandPNGBDBM50544597(GSK778)
Affinity DataIC50:  1.00E+3nMAssay Description:Displacement of Alexa Fluor 647 labelled I-BET762 from N-terminal His6-tagged human BRD3 BD2 (1 to 435 residues)/BD1 Y73A mutant expressed in Escheri...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBromodomain-containing protein 4(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50544597(GSK778)
Affinity DataIC50:  6.31E+3nMAssay Description:Displacement of Alexa Fluor 647 labelled I-BET762 from N-terminal His6-tagged human BRD4 BD2 (1 to 477 residues)/BD1 Y97A mutant expressed in Escheri...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBromodomain testis-specific protein(Homo sapiens (Human))
Gsk

Curated by ChEMBL
LigandPNGBDBM50544597(GSK778)
Affinity DataIC50:  1.58E+4nMAssay Description:Displacement of Alexa Fluor 647 labelled I-BET762 from N-terminal His6-tagged human BRDT BD2 (1 to 397 residues)/BD1 Y66A mutant expressed in Escheri...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBromodomain-containing protein 4(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50544597(GSK778)
Affinity DataKd:  10nMAssay Description:Binding affinity to N-terminal His6-tagged human BRD4 BD1 (1 to 477 residues)/BD2 Y390A mutant expressed in Escherichia coli by surface plasmon reson...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBromodomain-containing protein 4(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50544597(GSK778)
Affinity DataKd:  1.26E+3nMAssay Description:Binding affinity to BRD4 BD2 (333 to 460 residues) (unknown origin) by surface plasmon resonance methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBromodomain-containing protein 4(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50544597(GSK778)
Affinity DataIC50:  50nMAssay Description:Displacement of bromosporine-tracer from BRD4 (unknown origin) expressed in HEK293 cells by NanoBRET NanoGlo substrate based NanoBRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBromodomain-containing protein 4(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50544597(GSK778)
Affinity DataKd:  6.30nMAssay Description:Binding affinity to BRD4 BD1 (unknown origin) assessed as dissociation constant by Discover X assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBromodomain-containing protein 4(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50544597(GSK778)
Affinity DataKd:  0.630nMAssay Description:Binding affinity to human partial length BRD4 BD2 expressed in bacterial expression system assessed as dissociation constant by BROMOscan assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBromodomain-containing protein 4(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50544597(GSK778)
Affinity DataIC50:  41nMAssay Description:Inhibition of BRD4 BD1 (unknown origin) by TR-FRET assayMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetBromodomain-containing protein 3(Homo sapiens (Human))
Gsk

Curated by ChEMBL
LigandPNGBDBM50544597(GSK778)
Affinity DataIC50:  40nMAssay Description:Displacement of Alexa Fluor 647 labelled I-BET762 from N-terminal His6-tagged human BRD3 BD1 (1 to 435 residues)/BD2 Y348A mutant expressed in Escher...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed