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Compile Data Set for Download or QSAR

Found 52 hits Enz. Inhib. hit(s) with Target = 'Bromodomain-containing protein 4' and Ligand = 'BDBM50103503'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50103503
PNG
(CHEMBL2393130 | US11117865, Compound RVX-208)
Show SMILES COc1cc(OC)c2c(c1)nc([nH]c2=O)-c1cc(C)c(OCCO)c(C)c1
Show InChI InChI=1S/C20H22N2O5/c1-11-7-13(8-12(2)18(11)27-6-5-23)19-21-15-9-14(25-3)10-16(26-4)17(15)20(24)22-19/h7-10,23H,5-6H2,1-4H3,(H,21,22,24)
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n/an/a 40n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Displacement of tetra-acetylated histone H4 peptide from recombinant human N-terminal His-tagged BRD4 BD2 incubated for 2 hrs by TR-FRET assay


J Med Chem 62: 11080-11107 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01010
BindingDB Entry DOI: 10.7270/Q2280BZP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50103503
PNG
(CHEMBL2393130 | US11117865, Compound RVX-208)
Show SMILES COc1cc(OC)c2c(c1)nc([nH]c2=O)-c1cc(C)c(OCCO)c(C)c1
Show InChI InChI=1S/C20H22N2O5/c1-11-7-13(8-12(2)18(11)27-6-5-23)19-21-15-9-14(25-3)10-16(26-4)17(15)20(24)22-19/h7-10,23H,5-6H2,1-4H3,(H,21,22,24)
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n/an/a 44n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of BRD4 bromodomain 2 (unknown origin) incubated for 30 mins by ELISA


Bioorg Med Chem Lett 29: 2168-2172 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.028
BindingDB Entry DOI: 10.7270/Q2VT1WHH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50103503
PNG
(CHEMBL2393130 | US11117865, Compound RVX-208)
Show SMILES COc1cc(OC)c2c(c1)nc([nH]c2=O)-c1cc(C)c(OCCO)c(C)c1
Show InChI InChI=1S/C20H22N2O5/c1-11-7-13(8-12(2)18(11)27-6-5-23)19-21-15-9-14(25-3)10-16(26-4)17(15)20(24)22-19/h7-10,23H,5-6H2,1-4H3,(H,21,22,24)
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n/an/a 67n/an/an/an/an/an/a



Sichuan University and Collaborative Innovation Center

Curated by ChEMBL


Assay Description
Inhibition of human BRD4 bromo domain 2


Bioorg Med Chem Lett 27: 4051-4055 (2017)


Article DOI: 10.1016/j.bmcl.2017.07.054
BindingDB Entry DOI: 10.7270/Q22V2JJD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50103503
PNG
(CHEMBL2393130 | US11117865, Compound RVX-208)
Show SMILES COc1cc(OC)c2c(c1)nc([nH]c2=O)-c1cc(C)c(OCCO)c(C)c1
Show InChI InChI=1S/C20H22N2O5/c1-11-7-13(8-12(2)18(11)27-6-5-23)19-21-15-9-14(25-3)10-16(26-4)17(15)20(24)22-19/h7-10,23H,5-6H2,1-4H3,(H,21,22,24)
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n/an/a 100n/an/an/an/an/an/a



Central South University

Curated by ChEMBL


Assay Description
Inhibition of biotinylated H4 K5,8,12,16Ac peptide binding to GST-tagged BRD4 bromodomain2 (unknown origin) measured after 60 mins by AlphaScreen ass...


Bioorg Med Chem 27: 1871-1881 (2019)


Article DOI: 10.1016/j.bmc.2019.03.037
BindingDB Entry DOI: 10.7270/Q2N019Z5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50103503
PNG
(CHEMBL2393130 | US11117865, Compound RVX-208)
Show SMILES COc1cc(OC)c2c(c1)nc([nH]c2=O)-c1cc(C)c(OCCO)c(C)c1
Show InChI InChI=1S/C20H22N2O5/c1-11-7-13(8-12(2)18(11)27-6-5-23)19-21-15-9-14(25-3)10-16(26-4)17(15)20(24)22-19/h7-10,23H,5-6H2,1-4H3,(H,21,22,24)
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n/an/a 132n/an/an/an/an/an/a


TBA

Assay Description
Binding affinity human BRD4 BD2 incubated for 1 hr by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01851
BindingDB Entry DOI: 10.7270/Q2HD80K2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50103503
PNG
(CHEMBL2393130 | US11117865, Compound RVX-208)
Show SMILES COc1cc(OC)c2c(c1)nc([nH]c2=O)-c1cc(C)c(OCCO)c(C)c1
Show InChI InChI=1S/C20H22N2O5/c1-11-7-13(8-12(2)18(11)27-6-5-23)19-21-15-9-14(25-3)10-16(26-4)17(15)20(24)22-19/h7-10,23H,5-6H2,1-4H3,(H,21,22,24)
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n/an/a 135n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of BRD4 BD2 (unknown origin) after 1 hr by TR-FRET assay


Eur J Med Chem 151: 450-461 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.006
BindingDB Entry DOI: 10.7270/Q2X069KM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50103503
PNG
(CHEMBL2393130 | US11117865, Compound RVX-208)
Show SMILES COc1cc(OC)c2c(c1)nc([nH]c2=O)-c1cc(C)c(OCCO)c(C)c1
Show InChI InChI=1S/C20H22N2O5/c1-11-7-13(8-12(2)18(11)27-6-5-23)19-21-15-9-14(25-3)10-16(26-4)17(15)20(24)22-19/h7-10,23H,5-6H2,1-4H3,(H,21,22,24)
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n/an/a 140n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50103503
PNG
(CHEMBL2393130 | US11117865, Compound RVX-208)
Show SMILES COc1cc(OC)c2c(c1)nc([nH]c2=O)-c1cc(C)c(OCCO)c(C)c1
Show InChI InChI=1S/C20H22N2O5/c1-11-7-13(8-12(2)18(11)27-6-5-23)19-21-15-9-14(25-3)10-16(26-4)17(15)20(24)22-19/h7-10,23H,5-6H2,1-4H3,(H,21,22,24)
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n/an/a 510n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length human N-terminal His6-tagged BRD4 (2 to 1362 residues) expressed in baculovirus infected insect cells using his...


Eur J Med Chem 163: 281-294 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.018
BindingDB Entry DOI: 10.7270/Q2R214P4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50103503
PNG
(CHEMBL2393130 | US11117865, Compound RVX-208)
Show SMILES COc1cc(OC)c2c(c1)nc([nH]c2=O)-c1cc(C)c(OCCO)c(C)c1
Show InChI InChI=1S/C20H22N2O5/c1-11-7-13(8-12(2)18(11)27-6-5-23)19-21-15-9-14(25-3)10-16(26-4)17(15)20(24)22-19/h7-10,23H,5-6H2,1-4H3,(H,21,22,24)
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n/an/a 510n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal 6his-tagged BRD4 bromodomain 2 expressed in Escherichia coli BL21(DE3) using using H4 peptide as substrate...


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.07.036
BindingDB Entry DOI: 10.7270/Q20P13FZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50103503
PNG
(CHEMBL2393130 | US11117865, Compound RVX-208)
Show SMILES COc1cc(OC)c2c(c1)nc([nH]c2=O)-c1cc(C)c(OCCO)c(C)c1
Show InChI InChI=1S/C20H22N2O5/c1-11-7-13(8-12(2)18(11)27-6-5-23)19-21-15-9-14(25-3)10-16(26-4)17(15)20(24)22-19/h7-10,23H,5-6H2,1-4H3,(H,21,22,24)
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n/an/a 510n/an/an/an/an/an/a



Sichuan University and Collaborative Innovation Center

Curated by ChEMBL


Assay Description
Inhibition of human BRD4 bromodomain2 by Alphascreen assay


Bioorg Med Chem Lett 27: 4051-4055 (2017)


Article DOI: 10.1016/j.bmcl.2017.07.054
BindingDB Entry DOI: 10.7270/Q22V2JJD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50103503
PNG
(CHEMBL2393130 | US11117865, Compound RVX-208)
Show SMILES COc1cc(OC)c2c(c1)nc([nH]c2=O)-c1cc(C)c(OCCO)c(C)c1
Show InChI InChI=1S/C20H22N2O5/c1-11-7-13(8-12(2)18(11)27-6-5-23)19-21-15-9-14(25-3)10-16(26-4)17(15)20(24)22-19/h7-10,23H,5-6H2,1-4H3,(H,21,22,24)
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n/an/a 610n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of human BRD4 BD2 (342 to 460 residues) at 30 uM preincubated for 30 mins followed by substrate addition measured after 30 mins by TR-FRET...


Eur J Med Chem 121: 294-299 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.057
BindingDB Entry DOI: 10.7270/Q2K0766Q
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50103503
PNG
(CHEMBL2393130 | US11117865, Compound RVX-208)
Show SMILES COc1cc(OC)c2c(c1)nc([nH]c2=O)-c1cc(C)c(OCCO)c(C)c1
Show InChI InChI=1S/C20H22N2O5/c1-11-7-13(8-12(2)18(11)27-6-5-23)19-21-15-9-14(25-3)10-16(26-4)17(15)20(24)22-19/h7-10,23H,5-6H2,1-4H3,(H,21,22,24)
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n/an/a 645n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of BRD4 bromodomain-1 (unknown origin) by europium based LANCE TR-FRET assay


Bioorg Med Chem 23: 953-9 (2015)


Article DOI: 10.1016/j.bmc.2015.01.022
BindingDB Entry DOI: 10.7270/Q26Q201X
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50103503
PNG
(CHEMBL2393130 | US11117865, Compound RVX-208)
Show SMILES COc1cc(OC)c2c(c1)nc([nH]c2=O)-c1cc(C)c(OCCO)c(C)c1
Show InChI InChI=1S/C20H22N2O5/c1-11-7-13(8-12(2)18(11)27-6-5-23)19-21-15-9-14(25-3)10-16(26-4)17(15)20(24)22-19/h7-10,23H,5-6H2,1-4H3,(H,21,22,24)
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n/an/a 1.14E+3n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of BRD4 BD1 (unknown origin) after 1 hr by TR-FRET assay


Eur J Med Chem 151: 450-461 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.006
BindingDB Entry DOI: 10.7270/Q2X069KM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50103503
PNG
(CHEMBL2393130 | US11117865, Compound RVX-208)
Show SMILES COc1cc(OC)c2c(c1)nc([nH]c2=O)-c1cc(C)c(OCCO)c(C)c1
Show InChI InChI=1S/C20H22N2O5/c1-11-7-13(8-12(2)18(11)27-6-5-23)19-21-15-9-14(25-3)10-16(26-4)17(15)20(24)22-19/h7-10,23H,5-6H2,1-4H3,(H,21,22,24)
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n/an/a 1.15E+3n/an/an/an/an/an/a


TBA

Assay Description
Binding affinity recombinant human BRD4 BD1 (42 to 168 residues) expressed in Escherichia coli BL21(DE3) incubated for 1 hr by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01851
BindingDB Entry DOI: 10.7270/Q2HD80K2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50103503
PNG
(CHEMBL2393130 | US11117865, Compound RVX-208)
Show SMILES COc1cc(OC)c2c(c1)nc([nH]c2=O)-c1cc(C)c(OCCO)c(C)c1
Show InChI InChI=1S/C20H22N2O5/c1-11-7-13(8-12(2)18(11)27-6-5-23)19-21-15-9-14(25-3)10-16(26-4)17(15)20(24)22-19/h7-10,23H,5-6H2,1-4H3,(H,21,22,24)
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n/an/a 1.59E+3n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Displacement of (+)-JQ1 from 6H-Thr BRD4 Y97A mutant BD2 (unknown origin) after 30 mins by TR-FRET assay


J Med Chem 61: 4317-4334 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01666
BindingDB Entry DOI: 10.7270/Q27H1N6W
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50103503
PNG
(CHEMBL2393130 | US11117865, Compound RVX-208)
Show SMILES COc1cc(OC)c2c(c1)nc([nH]c2=O)-c1cc(C)c(OCCO)c(C)c1
Show InChI InChI=1S/C20H22N2O5/c1-11-7-13(8-12(2)18(11)27-6-5-23)19-21-15-9-14(25-3)10-16(26-4)17(15)20(24)22-19/h7-10,23H,5-6H2,1-4H3,(H,21,22,24)
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n/an/a 1.66E+3n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of BRD4 in poly(I:C)-stimulated human SAECs TLR3-inducible CIG5 gene expression pre-incubated for 24 hrs before poly(I:C) stimulation for ...


J Med Chem 63: 5242-5256 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00035
BindingDB Entry DOI: 10.7270/Q2PK0KMS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50103503
PNG
(CHEMBL2393130 | US11117865, Compound RVX-208)
Show SMILES COc1cc(OC)c2c(c1)nc([nH]c2=O)-c1cc(C)c(OCCO)c(C)c1
Show InChI InChI=1S/C20H22N2O5/c1-11-7-13(8-12(2)18(11)27-6-5-23)19-21-15-9-14(25-3)10-16(26-4)17(15)20(24)22-19/h7-10,23H,5-6H2,1-4H3,(H,21,22,24)
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n/an/a 1.80E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Displacement of tetra-acetylated histone H4 peptide from recombinant human N-terminal His-tagged BRD4 BD1 incubated for 2 hrs by TR-FRET assay


J Med Chem 62: 11080-11107 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01010
BindingDB Entry DOI: 10.7270/Q2280BZP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50103503
PNG
(CHEMBL2393130 | US11117865, Compound RVX-208)
Show SMILES COc1cc(OC)c2c(c1)nc([nH]c2=O)-c1cc(C)c(OCCO)c(C)c1
Show InChI InChI=1S/C20H22N2O5/c1-11-7-13(8-12(2)18(11)27-6-5-23)19-21-15-9-14(25-3)10-16(26-4)17(15)20(24)22-19/h7-10,23H,5-6H2,1-4H3,(H,21,22,24)
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n/an/a 1.99E+3n/an/an/an/an/an/a



Sichuan University and Collaborative Innovation Center

Curated by ChEMBL


Assay Description
Inhibition of human BRD4 bromo domain 1


Bioorg Med Chem Lett 27: 4051-4055 (2017)


Article DOI: 10.1016/j.bmcl.2017.07.054
BindingDB Entry DOI: 10.7270/Q22V2JJD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50103503
PNG
(CHEMBL2393130 | US11117865, Compound RVX-208)
Show SMILES COc1cc(OC)c2c(c1)nc([nH]c2=O)-c1cc(C)c(OCCO)c(C)c1
Show InChI InChI=1S/C20H22N2O5/c1-11-7-13(8-12(2)18(11)27-6-5-23)19-21-15-9-14(25-3)10-16(26-4)17(15)20(24)22-19/h7-10,23H,5-6H2,1-4H3,(H,21,22,24)
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n/an/a 2.45E+3n/an/an/an/an/an/a



Sichuan University and Collaborative Innovation Center of Biotherapy

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged BRD4 bromodomain (unknown origin) using biotinylated histone H4KAc peptide (1 to 21 residues) as substrate by HTRF assay


J Med Chem 63: 3678-3700 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02178
BindingDB Entry DOI: 10.7270/Q27W6GHJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50103503
PNG
(CHEMBL2393130 | US11117865, Compound RVX-208)
Show SMILES COc1cc(OC)c2c(c1)nc([nH]c2=O)-c1cc(C)c(OCCO)c(C)c1
Show InChI InChI=1S/C20H22N2O5/c1-11-7-13(8-12(2)18(11)27-6-5-23)19-21-15-9-14(25-3)10-16(26-4)17(15)20(24)22-19/h7-10,23H,5-6H2,1-4H3,(H,21,22,24)
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n/an/a 2.63E+3n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of BRD4 in human SAE cells assessed as reduction in TLR3 agonist poly(I:C) -induced ISG54 RNA expression preincubated for 24 hrs followed ...


Eur J Med Chem 151: 450-461 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.006
BindingDB Entry DOI: 10.7270/Q2X069KM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50103503
PNG
(CHEMBL2393130 | US11117865, Compound RVX-208)
Show SMILES COc1cc(OC)c2c(c1)nc([nH]c2=O)-c1cc(C)c(OCCO)c(C)c1
Show InChI InChI=1S/C20H22N2O5/c1-11-7-13(8-12(2)18(11)27-6-5-23)19-21-15-9-14(25-3)10-16(26-4)17(15)20(24)22-19/h7-10,23H,5-6H2,1-4H3,(H,21,22,24)
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n/an/a 2.74E+3n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of BRD4 in human SAE cells assessed as reduction in TLR3 agonist poly(I:C) -induced ISG56 RNA expression preincubated for 24 hrs followed ...


Eur J Med Chem 151: 450-461 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.006
BindingDB Entry DOI: 10.7270/Q2X069KM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50103503
PNG
(CHEMBL2393130 | US11117865, Compound RVX-208)
Show SMILES COc1cc(OC)c2c(c1)nc([nH]c2=O)-c1cc(C)c(OCCO)c(C)c1
Show InChI InChI=1S/C20H22N2O5/c1-11-7-13(8-12(2)18(11)27-6-5-23)19-21-15-9-14(25-3)10-16(26-4)17(15)20(24)22-19/h7-10,23H,5-6H2,1-4H3,(H,21,22,24)
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n/an/a 3.10E+3n/an/an/an/an/an/a



Central South University

Curated by ChEMBL


Assay Description
Inhibition of biotinylated H4 K5,8,12,16Ac peptide binding to GST-tagged BRD4 bromodomain1 (unknown origin) measured after 60 mins by AlphaScreen ass...


Bioorg Med Chem 27: 1871-1881 (2019)


Article DOI: 10.1016/j.bmc.2019.03.037
BindingDB Entry DOI: 10.7270/Q2N019Z5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50103503
PNG
(CHEMBL2393130 | US11117865, Compound RVX-208)
Show SMILES COc1cc(OC)c2c(c1)nc([nH]c2=O)-c1cc(C)c(OCCO)c(C)c1
Show InChI InChI=1S/C20H22N2O5/c1-11-7-13(8-12(2)18(11)27-6-5-23)19-21-15-9-14(25-3)10-16(26-4)17(15)20(24)22-19/h7-10,23H,5-6H2,1-4H3,(H,21,22,24)
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n/an/a 3.29E+3n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of BRD4 in poly(I:C)-stimulated human SAECs TLR3-inducible IL-6 gene expression pre-incubated for 24 hrs before poly(I:C) stimulation for ...


J Med Chem 63: 5242-5256 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00035
BindingDB Entry DOI: 10.7270/Q2PK0KMS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50103503
PNG
(CHEMBL2393130 | US11117865, Compound RVX-208)
Show SMILES COc1cc(OC)c2c(c1)nc([nH]c2=O)-c1cc(C)c(OCCO)c(C)c1
Show InChI InChI=1S/C20H22N2O5/c1-11-7-13(8-12(2)18(11)27-6-5-23)19-21-15-9-14(25-3)10-16(26-4)17(15)20(24)22-19/h7-10,23H,5-6H2,1-4H3,(H,21,22,24)
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n/an/a 3.73E+3n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of BRD4 in human SAE cells assessed as reduction in TLR3 agonist poly(I:C) -induced grobeta RNA expression preincubated for 24 hrs followe...


Eur J Med Chem 151: 450-461 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.006
BindingDB Entry DOI: 10.7270/Q2X069KM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50103503
PNG
(CHEMBL2393130 | US11117865, Compound RVX-208)
Show SMILES COc1cc(OC)c2c(c1)nc([nH]c2=O)-c1cc(C)c(OCCO)c(C)c1
Show InChI InChI=1S/C20H22N2O5/c1-11-7-13(8-12(2)18(11)27-6-5-23)19-21-15-9-14(25-3)10-16(26-4)17(15)20(24)22-19/h7-10,23H,5-6H2,1-4H3,(H,21,22,24)
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n/an/a 3.85E+3n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of BRD4 in human SAE cells assessed as reduction in TLR3 agonist poly(I:C) -induced IL-8 RNA expression preincubated for 24 hrs followed b...


Eur J Med Chem 151: 450-461 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.006
BindingDB Entry DOI: 10.7270/Q2X069KM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50103503
PNG
(CHEMBL2393130 | US11117865, Compound RVX-208)
Show SMILES COc1cc(OC)c2c(c1)nc([nH]c2=O)-c1cc(C)c(OCCO)c(C)c1
Show InChI InChI=1S/C20H22N2O5/c1-11-7-13(8-12(2)18(11)27-6-5-23)19-21-15-9-14(25-3)10-16(26-4)17(15)20(24)22-19/h7-10,23H,5-6H2,1-4H3,(H,21,22,24)
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n/an/a 6.31E+3n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Displacement of (+)-JQ1 from 6H-Thr BRD4 Y390A mutant BD1 (unknown origin) after 30 mins by TR-FRET assay


J Med Chem 61: 4317-4334 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01666
BindingDB Entry DOI: 10.7270/Q27H1N6W
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50103503
PNG
(CHEMBL2393130 | US11117865, Compound RVX-208)
Show SMILES COc1cc(OC)c2c(c1)nc([nH]c2=O)-c1cc(C)c(OCCO)c(C)c1
Show InChI InChI=1S/C20H22N2O5/c1-11-7-13(8-12(2)18(11)27-6-5-23)19-21-15-9-14(25-3)10-16(26-4)17(15)20(24)22-19/h7-10,23H,5-6H2,1-4H3,(H,21,22,24)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged BRD4 BD1 (49 to 170 residues) using H-SGRGK(Ac)GGK(Ac)GLGK-(Ac)GGAK(Ac)RHRK(Biotin)-OH as substrate preincubated for 3...


Eur J Med Chem 121: 294-299 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.057
BindingDB Entry DOI: 10.7270/Q2K0766Q
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50103503
PNG
(CHEMBL2393130 | US11117865, Compound RVX-208)
Show SMILES COc1cc(OC)c2c(c1)nc([nH]c2=O)-c1cc(C)c(OCCO)c(C)c1
Show InChI InChI=1S/C20H22N2O5/c1-11-7-13(8-12(2)18(11)27-6-5-23)19-21-15-9-14(25-3)10-16(26-4)17(15)20(24)22-19/h7-10,23H,5-6H2,1-4H3,(H,21,22,24)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of His/thioredoxin-tagged human recombinant BRD4 bromodomain-1 (43 to 166 residues) expressed in Escherichia coli BL21 Star (DE3) pre-incu...


J Med Chem 60: 9990-10012 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00275
BindingDB Entry DOI: 10.7270/Q2M32Z68
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50103503
PNG
(CHEMBL2393130 | US11117865, Compound RVX-208)
Show SMILES COc1cc(OC)c2c(c1)nc([nH]c2=O)-c1cc(C)c(OCCO)c(C)c1
Show InChI InChI=1S/C20H22N2O5/c1-11-7-13(8-12(2)18(11)27-6-5-23)19-21-15-9-14(25-3)10-16(26-4)17(15)20(24)22-19/h7-10,23H,5-6H2,1-4H3,(H,21,22,24)
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n/an/a 1.27E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114094
BindingDB Entry DOI: 10.7270/Q29P35PG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50103503
PNG
(CHEMBL2393130 | US11117865, Compound RVX-208)
Show SMILES COc1cc(OC)c2c(c1)nc([nH]c2=O)-c1cc(C)c(OCCO)c(C)c1
Show InChI InChI=1S/C20H22N2O5/c1-11-7-13(8-12(2)18(11)27-6-5-23)19-21-15-9-14(25-3)10-16(26-4)17(15)20(24)22-19/h7-10,23H,5-6H2,1-4H3,(H,21,22,24)
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n/an/an/a 1.14E+3n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113953
BindingDB Entry DOI: 10.7270/Q2GB283T
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50103503
PNG
(CHEMBL2393130 | US11117865, Compound RVX-208)
Show SMILES COc1cc(OC)c2c(c1)nc([nH]c2=O)-c1cc(C)c(OCCO)c(C)c1
Show InChI InChI=1S/C20H22N2O5/c1-11-7-13(8-12(2)18(11)27-6-5-23)19-21-15-9-14(25-3)10-16(26-4)17(15)20(24)22-19/h7-10,23H,5-6H2,1-4H3,(H,21,22,24)
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n/an/an/a 135n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113953
BindingDB Entry DOI: 10.7270/Q2GB283T
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50103503
PNG
(CHEMBL2393130 | US11117865, Compound RVX-208)
Show SMILES COc1cc(OC)c2c(c1)nc([nH]c2=O)-c1cc(C)c(OCCO)c(C)c1
Show InChI InChI=1S/C20H22N2O5/c1-11-7-13(8-12(2)18(11)27-6-5-23)19-21-15-9-14(25-3)10-16(26-4)17(15)20(24)22-19/h7-10,23H,5-6H2,1-4H3,(H,21,22,24)
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n/an/an/a 4.10E+3n/an/an/an/an/a


TBA

Assay Description
Inhibition of BRD4-BD1 (unknown origin) assessed as dissociation constant by ITC method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02168
BindingDB Entry DOI: 10.7270/Q20Z7752
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50103503
PNG
(CHEMBL2393130 | US11117865, Compound RVX-208)
Show SMILES COc1cc(OC)c2c(c1)nc([nH]c2=O)-c1cc(C)c(OCCO)c(C)c1
Show InChI InChI=1S/C20H22N2O5/c1-11-7-13(8-12(2)18(11)27-6-5-23)19-21-15-9-14(25-3)10-16(26-4)17(15)20(24)22-19/h7-10,23H,5-6H2,1-4H3,(H,21,22,24)
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n/an/an/a 135n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114423
BindingDB Entry DOI: 10.7270/Q2S46WZQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50103503
PNG
(CHEMBL2393130 | US11117865, Compound RVX-208)
Show SMILES COc1cc(OC)c2c(c1)nc([nH]c2=O)-c1cc(C)c(OCCO)c(C)c1
Show InChI InChI=1S/C20H22N2O5/c1-11-7-13(8-12(2)18(11)27-6-5-23)19-21-15-9-14(25-3)10-16(26-4)17(15)20(24)22-19/h7-10,23H,5-6H2,1-4H3,(H,21,22,24)
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n/an/an/a 1.14E+3n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114423
BindingDB Entry DOI: 10.7270/Q2S46WZQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50103503
PNG
(CHEMBL2393130 | US11117865, Compound RVX-208)
Show SMILES COc1cc(OC)c2c(c1)nc([nH]c2=O)-c1cc(C)c(OCCO)c(C)c1
Show InChI InChI=1S/C20H22N2O5/c1-11-7-13(8-12(2)18(11)27-6-5-23)19-21-15-9-14(25-3)10-16(26-4)17(15)20(24)22-19/h7-10,23H,5-6H2,1-4H3,(H,21,22,24)
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n/an/an/a 303n/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Binding affinity to human BRD4 bromodomain 2 by isothermal titration calorimetry


J Med Chem 59: 1492-500 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01135
BindingDB Entry DOI: 10.7270/Q21V5GVF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50103503
PNG
(CHEMBL2393130 | US11117865, Compound RVX-208)
Show SMILES COc1cc(OC)c2c(c1)nc([nH]c2=O)-c1cc(C)c(OCCO)c(C)c1
Show InChI InChI=1S/C20H22N2O5/c1-11-7-13(8-12(2)18(11)27-6-5-23)19-21-15-9-14(25-3)10-16(26-4)17(15)20(24)22-19/h7-10,23H,5-6H2,1-4H3,(H,21,22,24)
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n/an/an/a 1.10E+3n/an/an/an/an/a


TBA

Assay Description
Binding affinity to N-terminal His-tagged BRD4 BD1 (unknown origin) by isothermal calorimetric titration assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00605
BindingDB Entry DOI: 10.7270/Q2XP78HK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50103503
PNG
(CHEMBL2393130 | US11117865, Compound RVX-208)
Show SMILES COc1cc(OC)c2c(c1)nc([nH]c2=O)-c1cc(C)c(OCCO)c(C)c1
Show InChI InChI=1S/C20H22N2O5/c1-11-7-13(8-12(2)18(11)27-6-5-23)19-21-15-9-14(25-3)10-16(26-4)17(15)20(24)22-19/h7-10,23H,5-6H2,1-4H3,(H,21,22,24)
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n/an/an/a 135n/an/an/an/an/a


TBA

Assay Description
Binding affinity to N-terminal His-tagged BRD4 BD2 (unknown origin) by isothermal calorimetric titration assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00605
BindingDB Entry DOI: 10.7270/Q2XP78HK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50103503
PNG
(CHEMBL2393130 | US11117865, Compound RVX-208)
Show SMILES COc1cc(OC)c2c(c1)nc([nH]c2=O)-c1cc(C)c(OCCO)c(C)c1
Show InChI InChI=1S/C20H22N2O5/c1-11-7-13(8-12(2)18(11)27-6-5-23)19-21-15-9-14(25-3)10-16(26-4)17(15)20(24)22-19/h7-10,23H,5-6H2,1-4H3,(H,21,22,24)
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n/an/an/a 135n/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Binding affinity to recombinant BRD4 BD2 (unknown origin) incubated for 1 hr by TR-FRET assay


J Med Chem 63: 5242-5256 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00035
BindingDB Entry DOI: 10.7270/Q2PK0KMS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50103503
PNG
(CHEMBL2393130 | US11117865, Compound RVX-208)
Show SMILES COc1cc(OC)c2c(c1)nc([nH]c2=O)-c1cc(C)c(OCCO)c(C)c1
Show InChI InChI=1S/C20H22N2O5/c1-11-7-13(8-12(2)18(11)27-6-5-23)19-21-15-9-14(25-3)10-16(26-4)17(15)20(24)22-19/h7-10,23H,5-6H2,1-4H3,(H,21,22,24)
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n/an/an/a 1.14E+3n/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Binding affinity to recombinant BRD4 BD1 (unknown origin) incubated for 1 hr by TR-FRET assay


J Med Chem 63: 5242-5256 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00035
BindingDB Entry DOI: 10.7270/Q2PK0KMS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50103503
PNG
(CHEMBL2393130 | US11117865, Compound RVX-208)
Show SMILES COc1cc(OC)c2c(c1)nc([nH]c2=O)-c1cc(C)c(OCCO)c(C)c1
Show InChI InChI=1S/C20H22N2O5/c1-11-7-13(8-12(2)18(11)27-6-5-23)19-21-15-9-14(25-3)10-16(26-4)17(15)20(24)22-19/h7-10,23H,5-6H2,1-4H3,(H,21,22,24)
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n/an/an/a 8.93E+3n/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Binding affinity to human BRD4 bromodomain 1 by isothermal titration calorimetry


J Med Chem 59: 1492-500 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01135
BindingDB Entry DOI: 10.7270/Q21V5GVF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50103503
PNG
(CHEMBL2393130 | US11117865, Compound RVX-208)
Show SMILES COc1cc(OC)c2c(c1)nc([nH]c2=O)-c1cc(C)c(OCCO)c(C)c1
Show InChI InChI=1S/C20H22N2O5/c1-11-7-13(8-12(2)18(11)27-6-5-23)19-21-15-9-14(25-3)10-16(26-4)17(15)20(24)22-19/h7-10,23H,5-6H2,1-4H3,(H,21,22,24)
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n/an/an/a 135n/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human BRD4 BD2 by isothermal calorimetry analysis


J Med Chem 63: 5585-5623 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00628
BindingDB Entry DOI: 10.7270/Q2057K8M
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50103503
PNG
(CHEMBL2393130 | US11117865, Compound RVX-208)
Show SMILES COc1cc(OC)c2c(c1)nc([nH]c2=O)-c1cc(C)c(OCCO)c(C)c1
Show InChI InChI=1S/C20H22N2O5/c1-11-7-13(8-12(2)18(11)27-6-5-23)19-21-15-9-14(25-3)10-16(26-4)17(15)20(24)22-19/h7-10,23H,5-6H2,1-4H3,(H,21,22,24)
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n/an/an/a 1.14E+3n/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human BRD4 BD1 by isothermal calorimetry analysis


J Med Chem 63: 5585-5623 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00628
BindingDB Entry DOI: 10.7270/Q2057K8M
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50103503
PNG
(CHEMBL2393130 | US11117865, Compound RVX-208)
Show SMILES COc1cc(OC)c2c(c1)nc([nH]c2=O)-c1cc(C)c(OCCO)c(C)c1
Show InChI InChI=1S/C20H22N2O5/c1-11-7-13(8-12(2)18(11)27-6-5-23)19-21-15-9-14(25-3)10-16(26-4)17(15)20(24)22-19/h7-10,23H,5-6H2,1-4H3,(H,21,22,24)
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n/an/an/a 140n/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Binding affinity to human BRD4 bromodomain 2 expressed in Escherichia coli BL21 (DE3) cells by isothermal titration calorimetry


J Med Chem 59: 1492-500 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01135
BindingDB Entry DOI: 10.7270/Q21V5GVF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50103503
PNG
(CHEMBL2393130 | US11117865, Compound RVX-208)
Show SMILES COc1cc(OC)c2c(c1)nc([nH]c2=O)-c1cc(C)c(OCCO)c(C)c1
Show InChI InChI=1S/C20H22N2O5/c1-11-7-13(8-12(2)18(11)27-6-5-23)19-21-15-9-14(25-3)10-16(26-4)17(15)20(24)22-19/h7-10,23H,5-6H2,1-4H3,(H,21,22,24)
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n/an/an/a 1.10E+3n/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Binding affinity to human BRD4 bromodomain 1 expressed in Escherichia coli BL21 (DE3) cells by isothermal titration calorimetry


J Med Chem 59: 1492-500 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01135
BindingDB Entry DOI: 10.7270/Q21V5GVF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50103503
PNG
(CHEMBL2393130 | US11117865, Compound RVX-208)
Show SMILES COc1cc(OC)c2c(c1)nc([nH]c2=O)-c1cc(C)c(OCCO)c(C)c1
Show InChI InChI=1S/C20H22N2O5/c1-11-7-13(8-12(2)18(11)27-6-5-23)19-21-15-9-14(25-3)10-16(26-4)17(15)20(24)22-19/h7-10,23H,5-6H2,1-4H3,(H,21,22,24)
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n/an/an/a 135n/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50103503
PNG
(CHEMBL2393130 | US11117865, Compound RVX-208)
Show SMILES COc1cc(OC)c2c(c1)nc([nH]c2=O)-c1cc(C)c(OCCO)c(C)c1
Show InChI InChI=1S/C20H22N2O5/c1-11-7-13(8-12(2)18(11)27-6-5-23)19-21-15-9-14(25-3)10-16(26-4)17(15)20(24)22-19/h7-10,23H,5-6H2,1-4H3,(H,21,22,24)
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n/an/an/a 1.10E+3n/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human 6x-His-tagged BRD4 bromodomain 1 expressed in Escherichia coli


J Med Chem 61: 9316-9334 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01248
BindingDB Entry DOI: 10.7270/Q25T3PRQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50103503
PNG
(CHEMBL2393130 | US11117865, Compound RVX-208)
Show SMILES COc1cc(OC)c2c(c1)nc([nH]c2=O)-c1cc(C)c(OCCO)c(C)c1
Show InChI InChI=1S/C20H22N2O5/c1-11-7-13(8-12(2)18(11)27-6-5-23)19-21-15-9-14(25-3)10-16(26-4)17(15)20(24)22-19/h7-10,23H,5-6H2,1-4H3,(H,21,22,24)
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n/an/an/a 130n/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human 6x-His-tagged BRD4 bromodomain 2 expressed in Escherichia coli


J Med Chem 61: 9316-9334 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01248
BindingDB Entry DOI: 10.7270/Q25T3PRQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50103503
PNG
(CHEMBL2393130 | US11117865, Compound RVX-208)
Show SMILES COc1cc(OC)c2c(c1)nc([nH]c2=O)-c1cc(C)c(OCCO)c(C)c1
Show InChI InChI=1S/C20H22N2O5/c1-11-7-13(8-12(2)18(11)27-6-5-23)19-21-15-9-14(25-3)10-16(26-4)17(15)20(24)22-19/h7-10,23H,5-6H2,1-4H3,(H,21,22,24)
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n/an/an/a 200n/an/an/an/an/a


TBA

Assay Description
Inhibition of BRD4-BD2 (unknown origin) assessed as dissociation constant by ITC method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02168
BindingDB Entry DOI: 10.7270/Q20Z7752
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50103503
PNG
(CHEMBL2393130 | US11117865, Compound RVX-208)
Show SMILES COc1cc(OC)c2c(c1)nc([nH]c2=O)-c1cc(C)c(OCCO)c(C)c1
Show InChI InChI=1S/C20H22N2O5/c1-11-7-13(8-12(2)18(11)27-6-5-23)19-21-15-9-14(25-3)10-16(26-4)17(15)20(24)22-19/h7-10,23H,5-6H2,1-4H3,(H,21,22,24)
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n/an/an/a 135n/an/an/an/an/a



Chemical Biology Program, Department of Pharmacology and Toxicology,?Department of Internal Medicine,§Sealy Center for Molecular Medicine,?Institute for Translational Sciences, University of Texas Me

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His6-tagged BRD4 bromodomain 2 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells preincubated for 30 mins follo...


J Med Chem 60: 4533-4558 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01761
BindingDB Entry DOI: 10.7270/Q27P91VQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50103503
PNG
(CHEMBL2393130 | US11117865, Compound RVX-208)
Show SMILES COc1cc(OC)c2c(c1)nc([nH]c2=O)-c1cc(C)c(OCCO)c(C)c1
Show InChI InChI=1S/C20H22N2O5/c1-11-7-13(8-12(2)18(11)27-6-5-23)19-21-15-9-14(25-3)10-16(26-4)17(15)20(24)22-19/h7-10,23H,5-6H2,1-4H3,(H,21,22,24)
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n/an/an/a 1.10E+3n/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to BRD4 bromodomain 1 (unknown origin) by isothermal titration calorimetric analysis


J Med Chem 59: 1271-98 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01514
BindingDB Entry DOI: 10.7270/Q2X92D6H
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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