BDBM50380682 CHEMBL2017291::I-BET151 (16)

SMILES COc1cc2c3n([C@H](C)c4ccccn4)c(=O)[nH]c3cnc2cc1-c1c(C)noc1C

InChI Key InChIKey=VUVUVNZRUGEAHB-CYBMUJFWSA-N

Data  10 KI  40 IC50  8 Kd

PDB links: 3 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 20 hits for monomerid = 50380682   

TargetBromodomain-containing protein 3(Homo sapiens (Human))
University Of Michigan

Curated by ChEMBL
LigandPNGBDBM50380682(CHEMBL2017291 | I-BET151 (16))
Affinity DataKi:  7.20nMAssay Description:Displacement of FAM-labeled ZBA248 from BRD3 BD1 (24 to 144 amino acid residues) (unknown origin) expressed in Rosetta2 DE3 cells after 30 mins by fl...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBromodomain-containing protein 2(Homo sapiens (Human))
University Of Michigan

Curated by ChEMBL
LigandPNGBDBM50380682(CHEMBL2017291 | I-BET151 (16))
Affinity DataKi:  9nMAssay Description:Displacement of FAM-labeled ZBA248 from BRD2 BD1 (72 to 205 amino acid residues) (unknown origin) expressed in Rosetta2 DE3 cells after 30 mins by fl...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBromodomain-containing protein 4(Homo sapiens (Human))
University of Michigan

Curated by ChEMBL
LigandPNGBDBM50380682(CHEMBL2017291 | I-BET151 (16))
Affinity DataKi:  9nMAssay Description:Inhibition of FAM-labeled ZBA248 binding to recombinant human N-terminal His6-tagged BRD4 bromodomain 1 (44 to 168 residues) expressed in Rosetta2 DE...More data for this Ligand-Target Pair
TargetBromodomain-containing protein 4(Homo sapiens (Human))
University of Michigan

Curated by ChEMBL
LigandPNGBDBM50380682(CHEMBL2017291 | I-BET151 (16))
Affinity DataKi:  9nMAssay Description:Displacement of FAM-labeled ZBA248 from BRD4 BD1 (44 to 168 amino acid residues) (unknown origin) expressed in Rosetta2 DE3 cells after 30 mins by fl...More data for this Ligand-Target Pair
TargetBromodomain-containing protein 3(Homo sapiens (Human))
University Of Michigan

Curated by ChEMBL
LigandPNGBDBM50380682(CHEMBL2017291 | I-BET151 (16))
Affinity DataKi:  22nMAssay Description:Displacement of FAM-labeled ZBA248 from BRD3 BD2 (306 to 417 amino acid residues) (unknown origin) expressed in Rosetta2 DE3 cells after 30 mins by f...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBromodomain-containing protein 2(Homo sapiens (Human))
University Of Michigan

Curated by ChEMBL
LigandPNGBDBM50380682(CHEMBL2017291 | I-BET151 (16))
Affinity DataKi:  50nMAssay Description:Displacement of FAM-labeled ZBA248 from BRD2 BD2 (349 to 460 amino acid residues) (unknown origin) expressed in Rosetta2 DE3 cells after 30 mins by f...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBromodomain-containing protein 4(Homo sapiens (Human))
University of Michigan

Curated by ChEMBL
LigandPNGBDBM50380682(CHEMBL2017291 | I-BET151 (16))
Affinity DataKi:  75nMAssay Description:Inhibition of FAM-labeled ZBA248 binding to recombinant human N-terminal His6-tagged BRD4 bromodomain 2 (333 to 460 residues) expressed in Rosetta2 D...More data for this Ligand-Target Pair
TargetBromodomain-containing protein 4(Homo sapiens (Human))
University of Michigan

Curated by ChEMBL
LigandPNGBDBM50380682(CHEMBL2017291 | I-BET151 (16))
Affinity DataKi:  75nMAssay Description:Displacement of FAM-labeled ZBA248 from BRD4 BD2 (333 to 460 amino acid residues) (unknown origin) expressed in Rosetta2 DE3 cells after 30 mins by f...More data for this Ligand-Target Pair
TargetBromodomain-containing protein 3(Homo sapiens (Human))
University Of Michigan

Curated by ChEMBL
LigandPNGBDBM50380682(CHEMBL2017291 | I-BET151 (16))
Affinity DataKd:  41nMAssay Description:Binding affinity to biotinylated BRD3 BD2 (306 to 417 amino acid residues) (unknown origin) expressed in Rosetta2 DE3 cells by bio-layer interferomet...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBromodomain-containing protein 4(Homo sapiens (Human))
University of Michigan

Curated by ChEMBL
LigandPNGBDBM50380682(CHEMBL2017291 | I-BET151 (16))
Affinity DataKd:  53nMAssay Description:Binding affinity to biotinylated BRD4 BD1 (44 to 168 amino acid residues) (unknown origin) expressed in Rosetta2 DE3 cells by bio-layer interferometr...More data for this Ligand-Target Pair
TargetBromodomain-containing protein 4(Homo sapiens (Human))
University of Michigan

Curated by ChEMBL
LigandPNGBDBM50380682(CHEMBL2017291 | I-BET151 (16))
Affinity DataKd:  215nMAssay Description:Binding affinity to biotinylated BRD4 BD2 (333 to 460 amino acid residues) (unknown origin) expressed in Rosetta2 DE3 cells by bio-layer interferomet...More data for this Ligand-Target Pair
TargetCREB-binding protein(Homo sapiens (Human))
University Of Michigan

Curated by ChEMBL
LigandPNGBDBM50380682(CHEMBL2017291 | I-BET151 (16))
Affinity DataKd:  3.08E+3nMAssay Description:Binding affinity to biotinylated CREBBP (1043 to 1159 amino acid residues) (unknown origin) expressed in Rosetta2 DE3 cells by bio-layer interferomet...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATPase family AAA domain-containing protein 2(Homo sapiens (Human))
University Of Michigan

Curated by ChEMBL
LigandPNGBDBM50380682(CHEMBL2017291 | I-BET151 (16))
Affinity DataKd: >1.00E+4nMAssay Description:Binding affinity to biotinylated ATAD2A (981 to 1108 amino acid residues) (unknown origin) expressed in Rosetta2 DE3 cells by bio-layer interferometr...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBromodomain-containing protein 4(Homo sapiens (Human))
University of Michigan

Curated by ChEMBL
LigandPNGBDBM50380682(CHEMBL2017291 | I-BET151 (16))
Affinity DataIC50:  226nMAssay Description:Inhibition of FAM-labeled ZBA248 binding to recombinant human N-terminal His6-tagged BRD4 bromodomain 2 (333 to 460 residues) expressed in Rosetta2 D...More data for this Ligand-Target Pair
TargetBromodomain-containing protein 4(Homo sapiens (Human))
University of Michigan

Curated by ChEMBL
LigandPNGBDBM50380682(CHEMBL2017291 | I-BET151 (16))
Affinity DataIC50:  32nMAssay Description:Inhibition of FAM-labeled ZBA248 binding to recombinant human N-terminal His6-tagged BRD4 bromodomain 1 (44 to 168 residues) expressed in Rosetta2 DE...More data for this Ligand-Target Pair
TargetBromodomain-containing protein 3(Homo sapiens (Human))
University Of Michigan

Curated by ChEMBL
LigandPNGBDBM50380682(CHEMBL2017291 | I-BET151 (16))
Affinity DataKd:  30nMAssay Description:Binding affinity to biotinylated BRD3 BD1 (24 to 144 amino acid residues) (unknown origin) expressed in Rosetta2 DE3 cells by bio-layer interferometr...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBromodomain-containing protein 2(Homo sapiens (Human))
University Of Michigan

Curated by ChEMBL
LigandPNGBDBM50380682(CHEMBL2017291 | I-BET151 (16))
Affinity DataKd:  70nMAssay Description:Binding affinity to biotinylated BRD2 BD2 (349 to 460 amino acid residues) (unknown origin) expressed in Rosetta2 DE3 cells by bio-layer interferomet...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBromodomain-containing protein 2(Homo sapiens (Human))
University Of Michigan

Curated by ChEMBL
LigandPNGBDBM50380682(CHEMBL2017291 | I-BET151 (16))
Affinity DataKd:  55nMAssay Description:Binding affinity to biotinylated BRD2 BD1 (72 to 205 amino acid residues) (unknown origin) expressed in Rosetta2 DE3 cells by bio-layer interferometr...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBromodomain-containing protein 4(Homo sapiens (Human))
University of Michigan

Curated by ChEMBL
LigandPNGBDBM50380682(CHEMBL2017291 | I-BET151 (16))
Affinity DataIC50:  226nMAssay Description:Displacement of FAM-labeled ZBA248 from BRD4 BD2 (333 to 460 amino acid residues) (unknown origin) expressed in Rosetta2 DE3 cells after 30 mins by f...More data for this Ligand-Target Pair
TargetBromodomain-containing protein 4(Homo sapiens (Human))
University of Michigan

Curated by ChEMBL
LigandPNGBDBM50380682(CHEMBL2017291 | I-BET151 (16))
Affinity DataIC50:  32nMAssay Description:Displacement of FAM-labeled ZBA248 from BRD4 BD1 (44 to 168 amino acid residues) (unknown origin) expressed in Rosetta2 DE3 cells after 30 mins by fl...More data for this Ligand-Target Pair