Found 52 hits Enz. Inhib. hit(s) with Target = 'Bromodomain-containing protein 4' and Ligand = 'BDBM50103503' Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50103503
![PNG](/data/jpeg/tenK5010/BindingDB_50103503.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) | PDB
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| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/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](/images/Docked_3d.png) 3D Structure (crystal) |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50103503
![PNG](/data/jpeg/tenK5010/BindingDB_50103503.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) | PDB
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| n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/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](/images/Docked_3d.png) 3D Structure (crystal) |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50103503
![PNG](/data/jpeg/tenK5010/BindingDB_50103503.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) | PDB
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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](/images/Docked_3d.png) 3D Structure (crystal) |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50103503
![PNG](/data/jpeg/tenK5010/BindingDB_50103503.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) | PDB
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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](/images/Docked_3d.png) 3D Structure (crystal) |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50103503
![PNG](/data/jpeg/tenK5010/BindingDB_50103503.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) | PDB
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| n/a | n/a | 132 | n/a | n/a | n/a | n/a | n/a | n/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](/images/Docked_3d.png) 3D Structure (crystal) |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50103503
![PNG](/data/jpeg/tenK5010/BindingDB_50103503.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) | PDB
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| n/a | n/a | 135 | n/a | n/a | n/a | n/a | n/a | n/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](/images/Docked_3d.png) 3D Structure (crystal) |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50103503
![PNG](/data/jpeg/tenK5010/BindingDB_50103503.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) | PDB
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TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50103503
![PNG](/data/jpeg/tenK5010/BindingDB_50103503.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) | PDB
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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](/images/Docked_3d.png) 3D Structure (crystal) |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50103503
![PNG](/data/jpeg/tenK5010/BindingDB_50103503.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) | PDB
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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](/images/Docked_3d.png) 3D Structure (crystal) |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50103503
![PNG](/data/jpeg/tenK5010/BindingDB_50103503.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) | PDB
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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](/images/Docked_3d.png) 3D Structure (crystal) |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50103503
![PNG](/data/jpeg/tenK5010/BindingDB_50103503.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) | PDB
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| n/a | n/a | 610 | n/a | n/a | n/a | n/a | n/a | n/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](/images/Docked_3d.png) 3D Structure (crystal) |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50103503
![PNG](/data/jpeg/tenK5010/BindingDB_50103503.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) | PDB
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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](/images/Docked_3d.png) 3D Structure (crystal) |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50103503
![PNG](/data/jpeg/tenK5010/BindingDB_50103503.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) | PDB
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| n/a | n/a | 1.14E+3 | n/a | n/a | n/a | n/a | n/a | n/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](/images/Docked_3d.png) 3D Structure (crystal) |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50103503
![PNG](/data/jpeg/tenK5010/BindingDB_50103503.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) | PDB
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| n/a | n/a | 1.15E+3 | n/a | n/a | n/a | n/a | n/a | n/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](/images/Docked_3d.png) 3D Structure (crystal) |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50103503
![PNG](/data/jpeg/tenK5010/BindingDB_50103503.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) | PDB
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| n/a | n/a | 1.59E+3 | n/a | n/a | n/a | n/a | n/a | n/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](/images/Docked_3d.png) 3D Structure (crystal) |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50103503
![PNG](/data/jpeg/tenK5010/BindingDB_50103503.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) | PDB
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| n/a | n/a | 1.66E+3 | n/a | n/a | n/a | n/a | n/a | n/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](/images/Docked_3d.png) 3D Structure (crystal) |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50103503
![PNG](/data/jpeg/tenK5010/BindingDB_50103503.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) | PDB
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| n/a | n/a | 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/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](/images/Docked_3d.png) 3D Structure (crystal) |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50103503
![PNG](/data/jpeg/tenK5010/BindingDB_50103503.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) | PDB
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| n/a | n/a | 1.99E+3 | n/a | n/a | n/a | n/a | n/a | n/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](/images/Docked_3d.png) 3D Structure (crystal) |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50103503
![PNG](/data/jpeg/tenK5010/BindingDB_50103503.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) | PDB
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| n/a | n/a | 2.45E+3 | n/a | n/a | n/a | n/a | n/a | n/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](/images/Docked_3d.png) 3D Structure (crystal) |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50103503
![PNG](/data/jpeg/tenK5010/BindingDB_50103503.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) | PDB
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| n/a | n/a | 2.63E+3 | n/a | n/a | n/a | n/a | n/a | n/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](/images/Docked_3d.png) 3D Structure (crystal) |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50103503
![PNG](/data/jpeg/tenK5010/BindingDB_50103503.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) | PDB
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| n/a | n/a | 2.74E+3 | n/a | n/a | n/a | n/a | n/a | n/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](/images/Docked_3d.png) 3D Structure (crystal) |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50103503
![PNG](/data/jpeg/tenK5010/BindingDB_50103503.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) | PDB
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| n/a | n/a | 3.10E+3 | n/a | n/a | n/a | n/a | n/a | n/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](/images/Docked_3d.png) 3D Structure (crystal) |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50103503
![PNG](/data/jpeg/tenK5010/BindingDB_50103503.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) | PDB
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| n/a | n/a | 3.29E+3 | n/a | n/a | n/a | n/a | n/a | n/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](/images/Docked_3d.png) 3D Structure (crystal) |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50103503
![PNG](/data/jpeg/tenK5010/BindingDB_50103503.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) | PDB
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| n/a | n/a | 3.73E+3 | n/a | n/a | n/a | n/a | n/a | n/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](/images/Docked_3d.png) 3D Structure (crystal) |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50103503
![PNG](/data/jpeg/tenK5010/BindingDB_50103503.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) | PDB
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| n/a | n/a | 3.85E+3 | n/a | n/a | n/a | n/a | n/a | n/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](/images/Docked_3d.png) 3D Structure (crystal) |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50103503
![PNG](/data/jpeg/tenK5010/BindingDB_50103503.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) | PDB
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| n/a | n/a | 6.31E+3 | n/a | n/a | n/a | n/a | n/a | n/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](/images/Docked_3d.png) 3D Structure (crystal) |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50103503
![PNG](/data/jpeg/tenK5010/BindingDB_50103503.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) | PDB
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/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](/images/Docked_3d.png) 3D Structure (crystal) |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50103503
![PNG](/data/jpeg/tenK5010/BindingDB_50103503.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) | PDB
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/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](/images/Docked_3d.png) 3D Structure (crystal) |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50103503
![PNG](/data/jpeg/tenK5010/BindingDB_50103503.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) | PDB
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| n/a | n/a | 1.27E+4 | n/a | n/a | n/a | n/a | n/a | n/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](/images/Docked_3d.png) 3D Structure (crystal) |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50103503
![PNG](/data/jpeg/tenK5010/BindingDB_50103503.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) | PDB
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| n/a | n/a | n/a | 1.14E+3 | n/a | n/a | n/a | n/a | n/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](/images/Docked_3d.png) 3D Structure (crystal) |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50103503
![PNG](/data/jpeg/tenK5010/BindingDB_50103503.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) | PDB
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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](/images/Docked_3d.png) 3D Structure (crystal) |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50103503
![PNG](/data/jpeg/tenK5010/BindingDB_50103503.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) | PDB
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| n/a | n/a | n/a | 4.10E+3 | n/a | n/a | n/a | n/a | n/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](/images/Docked_3d.png) 3D Structure (crystal) |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50103503
![PNG](/data/jpeg/tenK5010/BindingDB_50103503.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) | PDB
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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](/images/Docked_3d.png) 3D Structure (crystal) |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50103503
![PNG](/data/jpeg/tenK5010/BindingDB_50103503.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) | PDB
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| n/a | n/a | n/a | 1.14E+3 | n/a | n/a | n/a | n/a | n/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](/images/Docked_3d.png) 3D Structure (crystal) |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50103503
![PNG](/data/jpeg/tenK5010/BindingDB_50103503.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) | PDB
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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](/images/Docked_3d.png) 3D Structure (crystal) |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50103503
![PNG](/data/jpeg/tenK5010/BindingDB_50103503.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) | PDB
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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](/images/Docked_3d.png) 3D Structure (crystal) |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50103503
![PNG](/data/jpeg/tenK5010/BindingDB_50103503.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) | PDB
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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](/images/Docked_3d.png) 3D Structure (crystal) |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50103503
![PNG](/data/jpeg/tenK5010/BindingDB_50103503.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) | PDB
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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](/images/Docked_3d.png) 3D Structure (crystal) |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50103503
![PNG](/data/jpeg/tenK5010/BindingDB_50103503.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) | PDB
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| n/a | n/a | n/a | 1.14E+3 | n/a | n/a | n/a | n/a | n/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](/images/Docked_3d.png) 3D Structure (crystal) |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50103503
![PNG](/data/jpeg/tenK5010/BindingDB_50103503.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) | PDB
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| n/a | n/a | n/a | 8.93E+3 | n/a | n/a | n/a | n/a | n/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](/images/Docked_3d.png) 3D Structure (crystal) |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50103503
![PNG](/data/jpeg/tenK5010/BindingDB_50103503.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) | PDB
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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](/images/Docked_3d.png) 3D Structure (crystal) |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50103503
![PNG](/data/jpeg/tenK5010/BindingDB_50103503.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) | PDB
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| n/a | n/a | n/a | 1.14E+3 | n/a | n/a | n/a | n/a | n/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](/images/Docked_3d.png) 3D Structure (crystal) |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50103503
![PNG](/data/jpeg/tenK5010/BindingDB_50103503.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) | PDB
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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](/images/Docked_3d.png) 3D Structure (crystal) |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50103503
![PNG](/data/jpeg/tenK5010/BindingDB_50103503.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) | PDB
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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](/images/Docked_3d.png) 3D Structure (crystal) |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50103503
![PNG](/data/jpeg/tenK5010/BindingDB_50103503.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) | PDB
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TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50103503
![PNG](/data/jpeg/tenK5010/BindingDB_50103503.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) | PDB
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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](/images/Docked_3d.png) 3D Structure (crystal) |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50103503
![PNG](/data/jpeg/tenK5010/BindingDB_50103503.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) | PDB
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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](/images/Docked_3d.png) 3D Structure (crystal) |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50103503
![PNG](/data/jpeg/tenK5010/BindingDB_50103503.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) | PDB
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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](/images/Docked_3d.png) 3D Structure (crystal) |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50103503
![PNG](/data/jpeg/tenK5010/BindingDB_50103503.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) | PDB
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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](/images/Docked_3d.png) 3D Structure (crystal) |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50103503
![PNG](/data/jpeg/tenK5010/BindingDB_50103503.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) | PDB
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| n/a | n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/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](/images/Docked_3d.png) 3D Structure (crystal) |