BDBM50380682 CHEMBL2017291::I-BET151 (16)

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

InChI Key InChIKey=VUVUVNZRUGEAHB-UHFFFAOYSA-N

Data  10 KI  69 IC50  10 Kd

  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 89 hits for monomerid = 50380682   

TargetCytochrome P450 2C9(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 Depth
Date in BDB:
8/24/2022
Entry Details Article
PubMed
TargetBromodomain-containing protein 4(Human)
University of Cambridge

Curated by ChEMBL
LigandPNGBDBM50380682(CHEMBL2017291 | I-BET151 (16))
Affinity DataIC50: 100nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetBromodomain-containing protein 3(Human)
University of Cambridge

Curated by ChEMBL
LigandPNGBDBM50380682(CHEMBL2017291 | I-BET151 (16))
Affinity DataKd:  20nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetBromodomain-containing protein 4(Human)
University of Cambridge

Curated by ChEMBL
LigandPNGBDBM50380682(CHEMBL2017291 | I-BET151 (16))
Affinity DataIC50: 794nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetBromodomain-containing protein 3(Human)
University of Cambridge

Curated by ChEMBL
LigandPNGBDBM50380682(CHEMBL2017291 | I-BET151 (16))
Affinity DataIC50: 250nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetBromodomain-containing protein 2(Human)
University of Cambridge

Curated by ChEMBL
LigandPNGBDBM50380682(CHEMBL2017291 | I-BET151 (16))
Affinity DataIC50: 500nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetBromodomain-containing protein 4(Human)
University of Cambridge

Curated by ChEMBL
LigandPNGBDBM50380682(CHEMBL2017291 | I-BET151 (16))
Affinity DataKd:  100nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetBromodomain-containing protein 4(Human)
University of Cambridge

Curated by ChEMBL
LigandPNGBDBM50380682(CHEMBL2017291 | I-BET151 (16))
Affinity DataIC50: 790nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetBromodomain-containing protein 4(Human)
University of Cambridge

Curated by ChEMBL
LigandPNGBDBM50380682(CHEMBL2017291 | I-BET151 (16))
Affinity DataIC50: 25nMAssay Description:Displacement of Biotin-tagged [Lys(5,8,12,16)Ac]H4(1 to 21) peptide from GST-tagged BRD4-BD1 (unknown origin) incubated for 3 hrs by HTRF based TR-FR...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/20/2024
Entry Details
PubMed
TargetBromodomain-containing protein 4(Human)
University of Cambridge

Curated by ChEMBL
LigandPNGBDBM50380682(CHEMBL2017291 | I-BET151 (16))
Affinity DataIC50: 114nMAssay Description:Inhibition of full length BRD4 (unknown origin) transfected in HEK293 cells incubated for 20 hrs measured by NanoBRET BRD4/Histone H3.3 interaction a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/17/2024
Entry Details
PubMed
TargetBromodomain-containing protein 4(Human)
University of Cambridge

Curated by ChEMBL
LigandPNGBDBM50380682(CHEMBL2017291 | I-BET151 (16))
Affinity DataIC50: 25nMAssay Description:Displacement of Alexa Fluor 647 labelled ligand from recombinant human N-terminal 6His-tagged BRD4-BD1 Y390A mutant (1 to 477 residue) expressed in E...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/24/2022
Entry Details Article
PubMed
TargetCytochrome P450 3A4(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 Depth
Date in BDB:
8/24/2022
Entry Details Article
PubMed
TargetProstaglandin G/H synthase 2(Human)
University of Cambridge

Curated by ChEMBL
LigandPNGBDBM50380682(CHEMBL2017291 | I-BET151 (16))
Affinity DataIC50: 1.00E+5nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetBromodomain-containing protein 4(Human)
University of Cambridge

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
In Depth
Date in BDB:
8/24/2022
Entry Details Article
PubMed
TargetBromodomain-containing protein 4(Human)
University of Cambridge

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
In Depth
Date in BDB:
8/24/2022
Entry Details Article
PubMed
TargetCytochrome P450 3A4(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 Depth
Date in BDB:
8/24/2022
Entry Details Article
PubMed
TargetBromodomain-containing protein 4(Human)
University of Cambridge

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
In Depth
Date in BDB:
3/28/2022
Entry Details Article
PubMed
TargetBromodomain-containing protein 4(Human)
University of Cambridge

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
In Depth
Date in BDB:
3/28/2022
Entry Details Article
PubMed
TargetBromodomain-containing protein 4(Human)
University of Cambridge

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
In Depth
Date in BDB:
3/27/2022
Entry Details Article
PubMed
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 Depth
Date in BDB:
8/13/2021
Entry Details Article
PubMed
TargetBromodomain-containing protein 4(Human)
University of Cambridge

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
In Depth
Date in BDB:
8/13/2021
Entry Details Article
PubMed
TargetBromodomain-containing protein 3(Human)
University of Cambridge

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 Depth
Date in BDB:
8/13/2021
Entry Details Article
PubMed
TargetBromodomain-containing protein 2(Human)
University of Cambridge

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 Depth
Date in BDB:
8/13/2021
Entry Details Article
PubMed
TargetVoltage-dependent L-type calcium channel subunit alpha-1C(Human)
University of Cambridge

Curated by ChEMBL
LigandPNGBDBM50380682(CHEMBL2017291 | I-BET151 (16))
Affinity DataIC50: 1.58E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetSolute carrier organic anion transporter family member 1B1(Human)
University of Cambridge

Curated by ChEMBL
LigandPNGBDBM50380682(CHEMBL2017291 | I-BET151 (16))
Affinity DataIC50: 1.26E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetETS domain-containing protein Elk-3(Homo sapiens)
University of Cambridge

Curated by ChEMBL
LigandPNGBDBM50380682(CHEMBL2017291 | I-BET151 (16))
Affinity DataIC50: 1.00E+5nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetSodium-dependent dopamine transporter(Human)
University of Cambridge

Curated by ChEMBL
LigandPNGBDBM50380682(CHEMBL2017291 | I-BET151 (16))
Affinity DataIC50: 1.00E+5nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
LigandPNGBDBM50380682(CHEMBL2017291 | I-BET151 (16))
Affinity DataIC50: 2.50E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetTyrosine-protein kinase Lck(Human)
University of Cambridge

Curated by ChEMBL
LigandPNGBDBM50380682(CHEMBL2017291 | I-BET151 (16))
Affinity DataIC50: 2.50E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetGlycogen synthase kinase-3 beta(Human)
University of Cambridge

Curated by ChEMBL
LigandPNGBDBM50380682(CHEMBL2017291 | I-BET151 (16))
Affinity DataIC50: 2.50E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetAurora kinase B(Human)
University of Cambridge

Curated by ChEMBL
LigandPNGBDBM50380682(CHEMBL2017291 | I-BET151 (16))
Affinity DataIC50: 2.50E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetSodium channel protein type 5 subunit alpha(Human)
University of Cambridge

Curated by ChEMBL
LigandPNGBDBM50380682(CHEMBL2017291 | I-BET151 (16))
Affinity DataIC50: 7.94E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetPotassium voltage-gated channel subfamily A member 5(Human)
University of Cambridge

Curated by ChEMBL
LigandPNGBDBM50380682(CHEMBL2017291 | I-BET151 (16))
Affinity DataIC50: 1.58E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetPlatelet-derived growth factor receptor alpha/beta(Mouse)
University of Cambridge

Curated by ChEMBL
LigandPNGBDBM50380682(CHEMBL2017291 | I-BET151 (16))
Affinity DataIC50: 2.50E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
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 Depth
Date in BDB:
8/13/2021
Entry Details Article
PubMed
TargetAcetylcholine receptor subunit alpha(Human)
University of Cambridge

Curated by ChEMBL
LigandPNGBDBM50380682(CHEMBL2017291 | I-BET151 (16))
Affinity DataIC50: 1.26E+3nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetMu-type opioid receptor(Human)
University of Cambridge

Curated by ChEMBL
LigandPNGBDBM50380682(CHEMBL2017291 | I-BET151 (16))
Affinity DataIC50: 1.00E+5nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetKappa-type opioid receptor(Human)
University of Cambridge

Curated by ChEMBL
LigandPNGBDBM50380682(CHEMBL2017291 | I-BET151 (16))
Affinity DataIC50: 1.00E+5nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetD(1A) dopamine receptor(Human)
University of Cambridge

Curated by ChEMBL
LigandPNGBDBM50380682(CHEMBL2017291 | I-BET151 (16))
Affinity DataIC50: 3.16E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetD(2) dopamine receptor(Human)
University of Cambridge

Curated by ChEMBL
LigandPNGBDBM50380682(CHEMBL2017291 | I-BET151 (16))
Affinity DataIC50: 1.00E+5nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetBeta-2 adrenergic receptor(Human)
University of Cambridge

Curated by ChEMBL
LigandPNGBDBM50380682(CHEMBL2017291 | I-BET151 (16))
Affinity DataIC50: 3.16E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
Target5-hydroxytryptamine receptor 1B(Human)
University of Cambridge

Curated by ChEMBL
LigandPNGBDBM50380682(CHEMBL2017291 | I-BET151 (16))
Affinity DataIC50: 1.00E+5nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetSodium-dependent serotonin transporter(Human)
University of Cambridge

Curated by ChEMBL
LigandPNGBDBM50380682(CHEMBL2017291 | I-BET151 (16))
Affinity DataIC50: 1.00E+5nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4B(Human)
University of Cambridge

Curated by ChEMBL
LigandPNGBDBM50380682(CHEMBL2017291 | I-BET151 (16))
Affinity DataIC50: 3.63E+3nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetAmine oxidase [flavin-containing] B(Human)
University of Cambridge

Curated by ChEMBL
LigandPNGBDBM50380682(CHEMBL2017291 | I-BET151 (16))
Affinity DataIC50: 5.00E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetBromodomain-containing protein 3(Human)
University of Cambridge

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 Depth
Date in BDB:
10/12/2016
Entry Details Article
PubMed
TargetBromodomain-containing protein 3(Human)
University of Cambridge

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 Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4B(Human)
University of Cambridge

Curated by ChEMBL
LigandPNGBDBM50380682(CHEMBL2017291 | I-BET151 (16))
Affinity DataIC50: 3.98E+3nMAssay Description:Inhibition of PDE4BMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetIsoform C of Bromodomain-containing protein 4 (Short)(Human)
Dana-Farber Cancer Institute

LigandPNGBDBM50380682(CHEMBL2017291 | I-BET151 (16))
Affinity DataIC50: 29.4nMpH: 7.5 T: 2°CAssay Description:Assays were performed with minor modifications from the manufacturer's protocol (PerkinElmer, USA). All reagents were diluted in 50 mM HEPES, 150...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2016
Entry Details Article
PubMed
TargetBromodomain-containing protein 4(Human)
University of Cambridge

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
In Depth
Date in BDB:
11/2/2016
Entry Details Article
PubMed
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