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:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 58 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:  61nMAssay Description:Inhibition of tetra-acetylated Histone H4 peptide binding to recombinant human N-terminal TEV-cleavable hexa-histidine tagged BRD4 bromodomain1 after...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: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 4(Homo sapiens (Human))
University Of Michigan

Curated by ChEMBL
LigandPNGBDBM50380682(CHEMBL2017291 | I-BET151 (16))
Affinity DataKi:  385nMAssay Description:Inhibition of Cy5-linked JQ1 probe binding to recombinant human N-terminal TEV-cleavable hexa-histidine tagged BRD4 bromodomain2 after 60 mins by HTR...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:  107nMAssay Description:Inhibition of BRD4 bromodomain-1 (unknown origin) by europium based LANCE TR-FRET assayMore 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:  18nMAssay Description:Inhibition of BRD4 bromodomain 1 (unknown origin)More data for this Ligand-Target Pair
TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4B(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50380682(CHEMBL2017291 | I-BET151 (16))
Affinity DataIC50:  3.98E+3nMAssay Description:Inhibition of PDE4BMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBromodomain-containing protein 3(Homo sapiens (Human))
University Of Michigan

Curated by ChEMBL
LigandPNGBDBM50380682(CHEMBL2017291 | I-BET151 (16))
Affinity DataIC50:  251nMAssay Description:Binding affinity to BRD3 assessed as inhibition of Alexa Fluor 488 binding after 60 mins by fluorescence anisotropic analysisMore 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 DataIC50:  501nMAssay Description:Binding affinity to human BRD2 assessed as inhibition of Alexa Fluor 488 binding after 60 mins by fluorescence anisotropic analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50380682(CHEMBL2017291 | I-BET151 (16))
Affinity DataIC50:  9.70E+3nMAssay Description:Inhibition of CYP3A4 using diethoxyfluoresin as substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50380682(CHEMBL2017291 | I-BET151 (16))
Affinity DataIC50:  9.90E+3nMAssay Description:Inhibition of CYP2C9More 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:  794nMAssay Description:Binding affinity to BRD4 assessed as inhibition of Alexa Fluor 488 binding after 60 mins by fluorescence anisotropic analysisMore 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:  130nMAssay Description:Inhibition of BRD4 in human Raji cells assessed as reduction of MYC expression after 4 hrsMore 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:  18nMAssay Description:Inhibition of His-FLAG-tagged BRD4 binding domain1 (unknown origin) binding to H4-TetraAc-biotin peptide after 20 mins by AlphaLISAMore data for this Ligand-Target Pair
TargetCytochrome P450 2C9(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50380682(CHEMBL2017291 | I-BET151 (16))
Affinity DataIC50:  9.90E+3nMAssay Description:Inhibition of CYP2C9More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50380682(CHEMBL2017291 | I-BET151 (16))
Affinity DataIC50:  9.70E+3nMAssay Description:Inhibition of CYP3A4More 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:  790nMAssay Description:Inhibition of BRD4 (unknown origin) by fluorescence polarization assayMore 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:  790nMAssay Description:Inhibition of BRD4 (unknown origin) by fluorescence anisotropy ligand displacement assayMore 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:  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 2(Homo sapiens (Human))
University Of Michigan

Curated by ChEMBL
LigandPNGBDBM50380682(CHEMBL2017291 | I-BET151 (16))
Affinity DataIC50:  50nMAssay 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 3(Homo sapiens (Human))
University Of Michigan

Curated by ChEMBL
LigandPNGBDBM50380682(CHEMBL2017291 | I-BET151 (16))
Affinity DataIC50:  32nMAssay 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
TargetBromodomain-containing protein 4(Homo sapiens (Human))
University Of Michigan

Curated by ChEMBL
LigandPNGBDBM50380682(CHEMBL2017291 | I-BET151 (16))
Affinity DataIC50:  25nMAssay 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
TargetBromodomain testis-specific protein(Homo sapiens (Human))
Gsk

Curated by ChEMBL
LigandPNGBDBM50380682(CHEMBL2017291 | I-BET151 (16))
Affinity DataIC50:  126nMAssay 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))
University Of Michigan

Curated by ChEMBL
LigandPNGBDBM50380682(CHEMBL2017291 | I-BET151 (16))
Affinity DataIC50:  200nMAssay 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))
University Of Michigan

Curated by ChEMBL
LigandPNGBDBM50380682(CHEMBL2017291 | I-BET151 (16))
Affinity DataIC50:  79nMAssay 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))
University Of Michigan

Curated by ChEMBL
LigandPNGBDBM50380682(CHEMBL2017291 | I-BET151 (16))
Affinity DataIC50:  316nMAssay 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
TargetBromodomain testis-specific protein(Homo sapiens (Human))
Gsk

Curated by ChEMBL
LigandPNGBDBM50380682(CHEMBL2017291 | I-BET151 (16))
Affinity DataIC50:  1.59E+3nMAssay 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))
University Of Michigan

Curated by ChEMBL
LigandPNGBDBM50380682(CHEMBL2017291 | I-BET151 (16))
Affinity DataIC50:  18nMAssay Description:Inhibition of His/FLAG-tagged BRD4 BD1 (unknown origin) using histone H4-TetraAcetylated-biotin peptide as substrate incubated for 20 mins by AlphaLI...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:  36nMAssay Description:Displacement of Alexa Fluor 647 labelled ligand from His6-thr-tagged BRD4 BD1 (1 to 477 residues)/BD2 Y390A mutant (unknown origin) after 30 mins by ...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:  274nMAssay Description:Displacement of Alexa Fluor 647 labelled ligand from His6-tagged BRD4 BD2 (1 to 477 residues)/BD1 Y97A mutant (unknown origin) after 30 mins by TR-FR...More data for this Ligand-Target Pair
TargetCytochrome P450 3A4(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50380682(CHEMBL2017291 | I-BET151 (16))
Affinity DataIC50:  9.70E+3nMAssay Description:Inhibition of recombinant human CYP3A4 expressed in Escherichia coli using VG as probe substrate incubated for 15 to 60 mins by fluorometric assayMore 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:  200nMAssay Description:Inhibition of BRD4 in human PBMC assessed as reduction in LPS-induced IL-6 secretion incubated for 18 to 24 hrs by MSD assayMore 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:  1.26E+3nMAssay Description:Inhibition of BRD4 in human whole blood assessed as reduction in LPS-induced IL-6 secretion preincubated for 30 mins followed by LPS stimulation and ...More data for this Ligand-Target Pair
TargetCytochrome P450 2C9(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50380682(CHEMBL2017291 | I-BET151 (16))
Affinity DataIC50:  9.90E+3nMAssay Description:Inhibition of recombinant human CYP2C9 expressed in Escherichia coli using FCA as substrate incubated for 15 to 60 mins by fluorometric assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50380682(CHEMBL2017291 | I-BET151 (16))
Affinity DataIC50:  9.70E+3nMAssay Description:Inhibition of recombinant human CYP3A4 expressed in Escherichia coli using DEF as probe substrate incubated for 15 to 60 mins by fluorometric assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
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
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