Found 343 hits with Last Name = 'toum' and Initial = 'j' 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 3
(Homo sapiens (Human)) | BDBM50028142
(CHEMBL2177300)Show SMILES C[C@H]1C[C@@H](Nc2ccc(Cl)cc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C25H23ClN2O3/c1-15-13-23(27-21-10-8-20(26)9-11-21)22-14-19(7-12-24(22)28(15)16(2)29)17-3-5-18(6-4-17)25(30)31/h3-12,14-15,23,27H,13H2,1-2H3,(H,30,31)/t15-,23+/m0/s1 | PDB
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| Article PubMed
| n/a | n/a | 0.251 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Binding affinity to full-length BRD4 short isoform (unknown origin) by BROMOscan assay |
J Med Chem 57: 8111-31 (2014)
Article DOI: 10.1021/jm5010539 BindingDB Entry DOI: 10.7270/Q23R0VGR |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50028142
(CHEMBL2177300)Show SMILES C[C@H]1C[C@@H](Nc2ccc(Cl)cc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C25H23ClN2O3/c1-15-13-23(27-21-10-8-20(26)9-11-21)22-14-19(7-12-24(22)28(15)16(2)29)17-3-5-18(6-4-17)25(30)31/h3-12,14-15,23,27H,13H2,1-2H3,(H,30,31)/t15-,23+/m0/s1 | PDB
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| Article PubMed
| n/a | n/a | 0.398 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Inhibition of human BRD4 bromodomain 1 by BROMOscan assay |
J Med Chem 57: 8111-31 (2014)
Article DOI: 10.1021/jm5010539 BindingDB Entry DOI: 10.7270/Q23R0VGR |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50028142
(CHEMBL2177300)Show SMILES C[C@H]1C[C@@H](Nc2ccc(Cl)cc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C25H23ClN2O3/c1-15-13-23(27-21-10-8-20(26)9-11-21)22-14-19(7-12-24(22)28(15)16(2)29)17-3-5-18(6-4-17)25(30)31/h3-12,14-15,23,27H,13H2,1-2H3,(H,30,31)/t15-,23+/m0/s1 | PDB
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| Article PubMed
| n/a | n/a | 0.398 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Inhibition of human BRD4 bromodomain 1/2 by BROMOscan assay |
J Med Chem 57: 8111-31 (2014)
Article DOI: 10.1021/jm5010539 BindingDB Entry DOI: 10.7270/Q23R0VGR |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 3
(Homo sapiens (Human)) | BDBM50028142
(CHEMBL2177300)Show SMILES C[C@H]1C[C@@H](Nc2ccc(Cl)cc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C25H23ClN2O3/c1-15-13-23(27-21-10-8-20(26)9-11-21)22-14-19(7-12-24(22)28(15)16(2)29)17-3-5-18(6-4-17)25(30)31/h3-12,14-15,23,27H,13H2,1-2H3,(H,30,31)/t15-,23+/m0/s1 | PDB
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| Article PubMed
| n/a | n/a | 0.631 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Inhibition of human BRD3 bromodomain 1 by BROMOscan assay |
J Med Chem 57: 8111-31 (2014)
Article DOI: 10.1021/jm5010539 BindingDB Entry DOI: 10.7270/Q23R0VGR |
More data for this Ligand-Target Pair | |
Bromodomain and PHD finger-containing protein 3
(Homo sapiens (Human)) | BDBM50028142
(CHEMBL2177300)Show SMILES C[C@H]1C[C@@H](Nc2ccc(Cl)cc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C25H23ClN2O3/c1-15-13-23(27-21-10-8-20(26)9-11-21)22-14-19(7-12-24(22)28(15)16(2)29)17-3-5-18(6-4-17)25(30)31/h3-12,14-15,23,27H,13H2,1-2H3,(H,30,31)/t15-,23+/m0/s1 | PDB
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| Article PubMed
| n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Inhibition of human BRPF3 by BROMOscan assay |
J Med Chem 57: 8111-31 (2014)
Article DOI: 10.1021/jm5010539 BindingDB Entry DOI: 10.7270/Q23R0VGR |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 7
(Homo sapiens (Human)) | BDBM50028142
(CHEMBL2177300)Show SMILES C[C@H]1C[C@@H](Nc2ccc(Cl)cc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C25H23ClN2O3/c1-15-13-23(27-21-10-8-20(26)9-11-21)22-14-19(7-12-24(22)28(15)16(2)29)17-3-5-18(6-4-17)25(30)31/h3-12,14-15,23,27H,13H2,1-2H3,(H,30,31)/t15-,23+/m0/s1 | PDB MMDB
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| Article PubMed
| n/a | n/a | <1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Inhibition of human BRD7 by BROMOscan assay |
J Med Chem 57: 8111-31 (2014)
Article DOI: 10.1021/jm5010539 BindingDB Entry DOI: 10.7270/Q23R0VGR |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 3
(Homo sapiens (Human)) | BDBM50028142
(CHEMBL2177300)Show SMILES C[C@H]1C[C@@H](Nc2ccc(Cl)cc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C25H23ClN2O3/c1-15-13-23(27-21-10-8-20(26)9-11-21)22-14-19(7-12-24(22)28(15)16(2)29)17-3-5-18(6-4-17)25(30)31/h3-12,14-15,23,27H,13H2,1-2H3,(H,30,31)/t15-,23+/m0/s1 | PDB
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| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Inhibition of human BRD3 bromodomain 2 by BROMOscan assay |
J Med Chem 57: 8111-31 (2014)
Article DOI: 10.1021/jm5010539 BindingDB Entry DOI: 10.7270/Q23R0VGR |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50028142
(CHEMBL2177300)Show SMILES C[C@H]1C[C@@H](Nc2ccc(Cl)cc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C25H23ClN2O3/c1-15-13-23(27-21-10-8-20(26)9-11-21)22-14-19(7-12-24(22)28(15)16(2)29)17-3-5-18(6-4-17)25(30)31/h3-12,14-15,23,27H,13H2,1-2H3,(H,30,31)/t15-,23+/m0/s1 | PDB
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| Article PubMed
| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Inhibition of human BRD4 bromodomain 2 by BROMOscan assay |
J Med Chem 57: 8111-31 (2014)
Article DOI: 10.1021/jm5010539 BindingDB Entry DOI: 10.7270/Q23R0VGR |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 2
(Homo sapiens (Human)) | BDBM50028142
(CHEMBL2177300)Show SMILES C[C@H]1C[C@@H](Nc2ccc(Cl)cc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C25H23ClN2O3/c1-15-13-23(27-21-10-8-20(26)9-11-21)22-14-19(7-12-24(22)28(15)16(2)29)17-3-5-18(6-4-17)25(30)31/h3-12,14-15,23,27H,13H2,1-2H3,(H,30,31)/t15-,23+/m0/s1 | PDB
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| Article PubMed
| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Inhibition of human BRD2 bromodomain 2 by BROMOscan assay |
J Med Chem 57: 8111-31 (2014)
Article DOI: 10.1021/jm5010539 BindingDB Entry DOI: 10.7270/Q23R0VGR |
More data for this Ligand-Target Pair | |
Peregrin
(Homo sapiens (Human)) | BDBM50028142
(CHEMBL2177300)Show SMILES C[C@H]1C[C@@H](Nc2ccc(Cl)cc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C25H23ClN2O3/c1-15-13-23(27-21-10-8-20(26)9-11-21)22-14-19(7-12-24(22)28(15)16(2)29)17-3-5-18(6-4-17)25(30)31/h3-12,14-15,23,27H,13H2,1-2H3,(H,30,31)/t15-,23+/m0/s1 | PDB
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| n/a | n/a | <4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Inhibition of human BRPF1 by BROMOscan assay |
J Med Chem 57: 8111-31 (2014)
Article DOI: 10.1021/jm5010539 BindingDB Entry DOI: 10.7270/Q23R0VGR |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50365264
(CHEMBL1738926)Show SMILES Cc1nnc2[C@H](NC(=O)OCc3ccccc3)N=C(c3ccccc3)c3ccccc3-n12 |r,t:18| Show InChI InChI=1S/C25H21N5O2/c1-17-28-29-24-23(27-25(31)32-16-18-10-4-2-5-11-18)26-22(19-12-6-3-7-13-19)20-14-8-9-15-21(20)30(17)24/h2-15,23H,16H2,1H3,(H,27,31)/t23-/m0/s1 | PDB
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| n/a | n/a | 15.5 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Displacement of tetra-acetylated H4 peptide from human Brd4 bromodomain BD12 after 1 hr by FRET analysis |
J Med Chem 54: 3827-38 (2011)
Article DOI: 10.1021/jm200108t BindingDB Entry DOI: 10.7270/Q2GB2541 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Bromodomain-containing protein 3
(Homo sapiens (Human)) | BDBM50365264
(CHEMBL1738926)Show SMILES Cc1nnc2[C@H](NC(=O)OCc3ccccc3)N=C(c3ccccc3)c3ccccc3-n12 |r,t:18| Show InChI InChI=1S/C25H21N5O2/c1-17-28-29-24-23(27-25(31)32-16-18-10-4-2-5-11-18)26-22(19-12-6-3-7-13-19)20-14-8-9-15-21(20)30(17)24/h2-15,23H,16H2,1H3,(H,27,31)/t23-/m0/s1 | PDB
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| Article PubMed
| n/a | n/a | 28.4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Displacement of tetra-acetylated H4 peptide from human Brd3 bromodomain BD12 after 1 hr by FRET analysis |
J Med Chem 54: 3827-38 (2011)
Article DOI: 10.1021/jm200108t BindingDB Entry DOI: 10.7270/Q2GB2541 |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 2
(Homo sapiens (Human)) | BDBM50365264
(CHEMBL1738926)Show SMILES Cc1nnc2[C@H](NC(=O)OCc3ccccc3)N=C(c3ccccc3)c3ccccc3-n12 |r,t:18| Show InChI InChI=1S/C25H21N5O2/c1-17-28-29-24-23(27-25(31)32-16-18-10-4-2-5-11-18)26-22(19-12-6-3-7-13-19)20-14-8-9-15-21(20)30(17)24/h2-15,23H,16H2,1H3,(H,27,31)/t23-/m0/s1 | PDB
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| Article PubMed
| n/a | n/a | 29.9 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Displacement of tetra-acetylated H4 peptide from human Brd2 bromodomain BD12 after 1 hr by FRET analysis |
J Med Chem 54: 3827-38 (2011)
Article DOI: 10.1021/jm200108t BindingDB Entry DOI: 10.7270/Q2GB2541 |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 2
(Homo sapiens (Human)) | BDBM50365463
(CHEMBL1232461)Show SMILES CCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12 |r,t:7| Show InChI InChI=1S/C22H22ClN5O2/c1-4-24-20(29)12-18-22-27-26-13(2)28(22)19-10-9-16(30-3)11-17(19)21(25-18)14-5-7-15(23)8-6-14/h5-11,18H,4,12H2,1-3H3,(H,24,29)/t18-/m0/s1 | PDB
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| Article PubMed
| n/a | n/a | 32.5 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Displacement of tetra-acetylated H4 peptide from human Brd2 bromodomain BD12 after 1 hr by FRET analysis |
J Med Chem 54: 3827-38 (2011)
Article DOI: 10.1021/jm200108t BindingDB Entry DOI: 10.7270/Q2GB2541 |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50365463
(CHEMBL1232461)Show SMILES CCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12 |r,t:7| Show InChI InChI=1S/C22H22ClN5O2/c1-4-24-20(29)12-18-22-27-26-13(2)28(22)19-10-9-16(30-3)11-17(19)21(25-18)14-5-7-15(23)8-6-14/h5-11,18H,4,12H2,1-3H3,(H,24,29)/t18-/m0/s1 | PDB
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| n/a | n/a | 36.1 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Displacement of tetra-acetylated H4 peptide from human Brd4 bromodomain BD12 after 1 hr by FRET analysis |
J Med Chem 54: 3827-38 (2011)
Article DOI: 10.1021/jm200108t BindingDB Entry DOI: 10.7270/Q2GB2541 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Bromodomain-containing protein 3
(Homo sapiens (Human)) | BDBM50365463
(CHEMBL1232461)Show SMILES CCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12 |r,t:7| Show InChI InChI=1S/C22H22ClN5O2/c1-4-24-20(29)12-18-22-27-26-13(2)28(22)19-10-9-16(30-3)11-17(19)21(25-18)14-5-7-15(23)8-6-14/h5-11,18H,4,12H2,1-3H3,(H,24,29)/t18-/m0/s1 | PDB
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| Article PubMed
| n/a | n/a | 42.4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Displacement of tetra-acetylated H4 peptide from human Brd3 bromodomain BD12 after 1 hr by FRET analysis |
J Med Chem 54: 3827-38 (2011)
Article DOI: 10.1021/jm200108t BindingDB Entry DOI: 10.7270/Q2GB2541 |
More data for this Ligand-Target Pair | |
Bromodomain testis-specific protein
(Homo sapiens (Human)) | BDBM50028142
(CHEMBL2177300)Show SMILES C[C@H]1C[C@@H](Nc2ccc(Cl)cc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C25H23ClN2O3/c1-15-13-23(27-21-10-8-20(26)9-11-21)22-14-19(7-12-24(22)28(15)16(2)29)17-3-5-18(6-4-17)25(30)31/h3-12,14-15,23,27H,13H2,1-2H3,(H,30,31)/t15-,23+/m0/s1 | PDB MMDB
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| Article PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Inhibition of BRDT (unknown origin) by TR-FRET assay |
J Med Chem 57: 8111-31 (2014)
Article DOI: 10.1021/jm5010539 BindingDB Entry DOI: 10.7270/Q23R0VGR |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50441159
(CHEMBL2430882)Show SMILES COC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12 |r,t:6| Show InChI InChI=1S/C21H19ClN4O3/c1-12-24-25-21-17(11-19(27)29-3)23-20(13-4-6-14(22)7-5-13)16-10-15(28-2)8-9-18(16)26(12)21/h4-10,17H,11H2,1-3H3/t17-/m0/s1 | PDB
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| Article PubMed
| n/a | n/a | 251 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Binding affinity to His6-tagged BRD4 (unknown origin) after 60 mins by fluorescence anisotropy binding Assay |
J Med Chem 56: 7501-15 (2013)
Article DOI: 10.1021/jm401088k BindingDB Entry DOI: 10.7270/Q2SX6FN7 |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 3
(Homo sapiens (Human)) | BDBM50028141
(CHEMBL3353999)Show SMILES C[C@H]1C[C@@H](Nc2ccc(C)cc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C26H26N2O3/c1-16-4-11-22(12-5-16)27-24-14-17(2)28(18(3)29)25-13-10-21(15-23(24)25)19-6-8-20(9-7-19)26(30)31/h4-13,15,17,24,27H,14H2,1-3H3,(H,30,31)/t17-,24+/m0/s1 | PDB
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| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 316 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Displacement of biotinylated tetra-acetylated histone H4 from His6-tagged BRD3 (1 to 475 aa) (unknown origin) after 1 hr by TR-FRET assay |
J Med Chem 57: 8111-31 (2014)
Article DOI: 10.1021/jm5010539 BindingDB Entry DOI: 10.7270/Q23R0VGR |
More data for this Ligand-Target Pair | |
Histone acetyltransferase KAT2A
(Homo sapiens (Human)) | BDBM50028142
(CHEMBL2177300)Show SMILES C[C@H]1C[C@@H](Nc2ccc(Cl)cc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C25H23ClN2O3/c1-15-13-23(27-21-10-8-20(26)9-11-21)22-14-19(7-12-24(22)28(15)16(2)29)17-3-5-18(6-4-17)25(30)31/h3-12,14-15,23,27H,13H2,1-2H3,(H,30,31)/t15-,23+/m0/s1 | PDB
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| n/a | n/a | <316 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Inhibition of human GCN5 by BROMOscan assay |
J Med Chem 57: 8111-31 (2014)
Article DOI: 10.1021/jm5010539 BindingDB Entry DOI: 10.7270/Q23R0VGR |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50028139
(CHEMBL3353997)Show SMILES C[C@H]1C[C@@H](Nc2ccc(cc2)S(C)(=O)=O)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C26H26N2O5S/c1-16-14-24(27-21-9-11-22(12-10-21)34(3,32)33)23-15-20(8-13-25(23)28(16)17(2)29)18-4-6-19(7-5-18)26(30)31/h4-13,15-16,24,27H,14H2,1-3H3,(H,30,31)/t16-,24+/m0/s1 | PDB
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| Article PubMed
| n/a | n/a | 316 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Displacement of biotinylated tetra-acetylated histone H4 from His6-tagged BRD4 (1 to 477 aa) (unknown origin) after 1 hr by TR-FRET assay |
J Med Chem 57: 8111-31 (2014)
Article DOI: 10.1021/jm5010539 BindingDB Entry DOI: 10.7270/Q23R0VGR |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 3
(Homo sapiens (Human)) | BDBM50028141
(CHEMBL3353999)Show SMILES C[C@H]1C[C@@H](Nc2ccc(C)cc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C26H26N2O3/c1-16-4-11-22(12-5-16)27-24-14-17(2)28(18(3)29)25-13-10-21(15-23(24)25)19-6-8-20(9-7-19)26(30)31/h4-13,15,17,24,27H,14H2,1-3H3,(H,30,31)/t17-,24+/m0/s1 | PDB
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| Article PubMed
| n/a | n/a | 316 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Displacement of biotinylated tetra-acetylated histone H4 from His6-tagged BRD3 (1 to 475 aa) (unknown origin) after 1 hr by TR-FRET assay |
J Med Chem 57: 8111-31 (2014)
Article DOI: 10.1021/jm5010539 BindingDB Entry DOI: 10.7270/Q23R0VGR |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 3
(Homo sapiens (Human)) | BDBM50028139
(CHEMBL3353997)Show SMILES C[C@H]1C[C@@H](Nc2ccc(cc2)S(C)(=O)=O)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C26H26N2O5S/c1-16-14-24(27-21-9-11-22(12-10-21)34(3,32)33)23-15-20(8-13-25(23)28(16)17(2)29)18-4-6-19(7-5-18)26(30)31/h4-13,15-16,24,27H,14H2,1-3H3,(H,30,31)/t16-,24+/m0/s1 | PDB
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| Article PubMed
| n/a | n/a | 316 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Displacement of biotinylated tetra-acetylated histone H4 from His6-tagged BRD3 (1 to 475 aa) (unknown origin) after 1 hr by TR-FRET assay |
J Med Chem 57: 8111-31 (2014)
Article DOI: 10.1021/jm5010539 BindingDB Entry DOI: 10.7270/Q23R0VGR |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 3
(Homo sapiens (Human)) | BDBM50028128
(CHEMBL3353992)Show SMILES C[C@H]1C[C@@H](Nc2ccccc2)c2cc(ccc2N1C(C)=O)-c1ccc(CN2CCCCC2)cc1 |r| Show InChI InChI=1S/C30H35N3O/c1-22-19-29(31-27-9-5-3-6-10-27)28-20-26(15-16-30(28)33(22)23(2)34)25-13-11-24(12-14-25)21-32-17-7-4-8-18-32/h3,5-6,9-16,20,22,29,31H,4,7-8,17-19,21H2,1-2H3/t22-,29+/m0/s1 | PDB
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| n/a | n/a | 316 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Displacement of biotinylated tetra-acetylated histone H4 from His6-tagged BRD3 (1 to 475 aa) (unknown origin) after 1 hr by TR-FRET assay |
J Med Chem 57: 8111-31 (2014)
Article DOI: 10.1021/jm5010539 BindingDB Entry DOI: 10.7270/Q23R0VGR |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 2
(Homo sapiens (Human)) | BDBM50028142
(CHEMBL2177300)Show SMILES C[C@H]1C[C@@H](Nc2ccc(Cl)cc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C25H23ClN2O3/c1-15-13-23(27-21-10-8-20(26)9-11-21)22-14-19(7-12-24(22)28(15)16(2)29)17-3-5-18(6-4-17)25(30)31/h3-12,14-15,23,27H,13H2,1-2H3,(H,30,31)/t15-,23+/m0/s1 | PDB
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| n/a | n/a | 398 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Displacement of biotinylated tetra-acetylated histone H4 from His6-tagged BRD2 (1 to 473 aa) (unknown origin) after 1 hr by TR-FRET assay |
J Med Chem 57: 8111-31 (2014)
Article DOI: 10.1021/jm5010539 BindingDB Entry DOI: 10.7270/Q23R0VGR |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 3
(Homo sapiens (Human)) | BDBM50028114
(CHEMBL3352833)Show SMILES C[C@H]1C[C@@H](Nc2ccccc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C25H24N2O3/c1-16-14-23(26-21-6-4-3-5-7-21)22-15-20(12-13-24(22)27(16)17(2)28)18-8-10-19(11-9-18)25(29)30/h3-13,15-16,23,26H,14H2,1-2H3,(H,29,30)/t16-,23+/m0/s1 | PDB
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| Article PubMed
| n/a | n/a | 398 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Displacement of biotinylated tetra-acetylated histone H4 from His6-tagged BRD3 (1 to 475 aa) (unknown origin) after 1 hr by TR-FRET assay |
J Med Chem 57: 8111-31 (2014)
Article DOI: 10.1021/jm5010539 BindingDB Entry DOI: 10.7270/Q23R0VGR |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 3
(Homo sapiens (Human)) | BDBM50028126
(CHEMBL3353991)Show SMILES C[C@H]1C[C@@H](Nc2ccccc2)c2cc(ccc2N1C(C)=O)-c1cccc(CN2CCCCC2)c1 |r| Show InChI InChI=1S/C30H35N3O/c1-22-18-29(31-27-12-5-3-6-13-27)28-20-26(14-15-30(28)33(22)23(2)34)25-11-9-10-24(19-25)21-32-16-7-4-8-17-32/h3,5-6,9-15,19-20,22,29,31H,4,7-8,16-18,21H2,1-2H3/t22-,29+/m0/s1 | PDB
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Similars
| Article PubMed
| n/a | n/a | 398 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Displacement of biotinylated tetra-acetylated histone H4 from His6-tagged BRD3 (1 to 475 aa) (unknown origin) after 1 hr by TR-FRET assay |
J Med Chem 57: 8111-31 (2014)
Article DOI: 10.1021/jm5010539 BindingDB Entry DOI: 10.7270/Q23R0VGR |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 3
(Homo sapiens (Human)) | BDBM50028142
(CHEMBL2177300)Show SMILES C[C@H]1C[C@@H](Nc2ccc(Cl)cc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C25H23ClN2O3/c1-15-13-23(27-21-10-8-20(26)9-11-21)22-14-19(7-12-24(22)28(15)16(2)29)17-3-5-18(6-4-17)25(30)31/h3-12,14-15,23,27H,13H2,1-2H3,(H,30,31)/t15-,23+/m0/s1 | PDB
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| n/a | n/a | 398 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Displacement of biotinylated tetra-acetylated histone H4 from His6-tagged BRD3 (1 to 475 aa) (unknown origin) after 1 hr by TR-FRET assay |
J Med Chem 57: 8111-31 (2014)
Article DOI: 10.1021/jm5010539 BindingDB Entry DOI: 10.7270/Q23R0VGR |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 3
(Homo sapiens (Human)) | BDBM50028154
(CHEMBL3354008)Show SMILES C[C@H]1C[C@@H](Nc2ccc(Cl)cc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(N)=O |r| Show InChI InChI=1S/C25H24ClN3O2/c1-15-13-23(28-21-10-8-20(26)9-11-21)22-14-19(7-12-24(22)29(15)16(2)30)17-3-5-18(6-4-17)25(27)31/h3-12,14-15,23,28H,13H2,1-2H3,(H2,27,31)/t15-,23+/m0/s1 | PDB
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Similars
| Article PubMed
| n/a | n/a | 398 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Displacement of biotinylated tetra-acetylated histone H4 from His6-tagged BRD3 (1 to 475 aa) (unknown origin) after 1 hr by TR-FRET assay |
J Med Chem 57: 8111-31 (2014)
Article DOI: 10.1021/jm5010539 BindingDB Entry DOI: 10.7270/Q23R0VGR |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 2
(Homo sapiens (Human)) | BDBM50028142
(CHEMBL2177300)Show SMILES C[C@H]1C[C@@H](Nc2ccc(Cl)cc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C25H23ClN2O3/c1-15-13-23(27-21-10-8-20(26)9-11-21)22-14-19(7-12-24(22)28(15)16(2)29)17-3-5-18(6-4-17)25(30)31/h3-12,14-15,23,27H,13H2,1-2H3,(H,30,31)/t15-,23+/m0/s1 | PDB
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| n/a | n/a | 398 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Displacement of biotinylated tetra-acetylated histone H4 from His6-tagged BRD2 (1 to 473 aa) (unknown origin) after 1 hr by TR-FRET assay |
J Med Chem 57: 8111-31 (2014)
Article DOI: 10.1021/jm5010539 BindingDB Entry DOI: 10.7270/Q23R0VGR |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50441158
(CHEMBL2430883)Show SMILES CCCCOC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12 |r,t:9| Show InChI InChI=1S/C24H25ClN4O3/c1-4-5-12-32-22(30)14-20-24-28-27-15(2)29(24)21-11-10-18(31-3)13-19(21)23(26-20)16-6-8-17(25)9-7-16/h6-11,13,20H,4-5,12,14H2,1-3H3/t20-/m0/s1 | PDB
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| Article PubMed
| n/a | n/a | 398 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Binding affinity to His6-tagged BRD4 (unknown origin) after 60 mins by fluorescence anisotropy binding Assay |
J Med Chem 56: 7501-15 (2013)
Article DOI: 10.1021/jm401088k BindingDB Entry DOI: 10.7270/Q2SX6FN7 |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50028128
(CHEMBL3353992)Show SMILES C[C@H]1C[C@@H](Nc2ccccc2)c2cc(ccc2N1C(C)=O)-c1ccc(CN2CCCCC2)cc1 |r| Show InChI InChI=1S/C30H35N3O/c1-22-19-29(31-27-9-5-3-6-10-27)28-20-26(15-16-30(28)33(22)23(2)34)25-13-11-24(12-14-25)21-32-17-7-4-8-18-32/h3,5-6,9-16,20,22,29,31H,4,7-8,17-19,21H2,1-2H3/t22-,29+/m0/s1 | PDB
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Similars
| PDB Article PubMed
| n/a | n/a | 398 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Displacement of biotinylated tetra-acetylated histone H4 from His6-tagged BRD4 (1 to 477 aa) (unknown origin) after 1 hr by TR-FRET assay |
J Med Chem 57: 8111-31 (2014)
Article DOI: 10.1021/jm5010539 BindingDB Entry DOI: 10.7270/Q23R0VGR |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50441168
(CHEMBL2430873)Show SMILES CCOC(=O)N[C@@H]1N=C(c2ccccc2)c2ccccc2-n2c(C)nnc12 |r,t:7| Show InChI InChI=1S/C20H19N5O2/c1-3-27-20(26)22-18-19-24-23-13(2)25(19)16-12-8-7-11-15(16)17(21-18)14-9-5-4-6-10-14/h4-12,18H,3H2,1-2H3,(H,22,26)/t18-/m0/s1 | PDB
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Similars
| Article PubMed
| n/a | n/a | 398 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Binding affinity to His6-tagged BRD4 (unknown origin) after 60 mins by fluorescence anisotropy binding Assay |
J Med Chem 56: 7501-15 (2013)
Article DOI: 10.1021/jm401088k BindingDB Entry DOI: 10.7270/Q2SX6FN7 |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 3
(Homo sapiens (Human)) | BDBM50028142
(CHEMBL2177300)Show SMILES C[C@H]1C[C@@H](Nc2ccc(Cl)cc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C25H23ClN2O3/c1-15-13-23(27-21-10-8-20(26)9-11-21)22-14-19(7-12-24(22)28(15)16(2)29)17-3-5-18(6-4-17)25(30)31/h3-12,14-15,23,27H,13H2,1-2H3,(H,30,31)/t15-,23+/m0/s1 | PDB
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| Article PubMed
| n/a | n/a | 398 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Displacement of biotinylated tetra-acetylated histone H4 from His6-tagged BRD3 (1 to 475 aa) (unknown origin) after 1 hr by TR-FRET assay |
J Med Chem 57: 8111-31 (2014)
Article DOI: 10.1021/jm5010539 BindingDB Entry DOI: 10.7270/Q23R0VGR |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50441164
(CHEMBL2430877)Show SMILES COc1ccc-2c(c1)C(=N[C@@H](CC(=O)Nc1ccccn1)c1nnc(C)n-21)c1ccc(Cl)cc1 |r,c:9| Show InChI InChI=1S/C25H21ClN6O2/c1-15-30-31-25-20(14-23(33)29-22-5-3-4-12-27-22)28-24(16-6-8-17(26)9-7-16)19-13-18(34-2)10-11-21(19)32(15)25/h3-13,20H,14H2,1-2H3,(H,27,29,33)/t20-/m0/s1 | PDB
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Similars
| Article PubMed
| n/a | n/a | 398 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Binding affinity to His6-tagged BRD4 (unknown origin) after 60 mins by fluorescence anisotropy binding Assay |
J Med Chem 56: 7501-15 (2013)
Article DOI: 10.1021/jm401088k BindingDB Entry DOI: 10.7270/Q2SX6FN7 |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50441165
(CHEMBL2430876)Show SMILES COc1ccc-2c(c1)C(=N[C@@H](CC(=O)Nc1cccs1)c1nnc(C)n-21)c1ccc(Cl)cc1 |r,c:9| Show InChI InChI=1S/C24H20ClN5O2S/c1-14-28-29-24-19(13-21(31)27-22-4-3-11-33-22)26-23(15-5-7-16(25)8-6-15)18-12-17(32-2)9-10-20(18)30(14)24/h3-12,19H,13H2,1-2H3,(H,27,31)/t19-/m0/s1 | PDB
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B.MOAD antibodypedia GoogleScholar AffyNet
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Similars
| Article PubMed
| n/a | n/a | 398 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Binding affinity to His6-tagged BRD4 (unknown origin) after 60 mins by fluorescence anisotropy binding Assay |
J Med Chem 56: 7501-15 (2013)
Article DOI: 10.1021/jm401088k BindingDB Entry DOI: 10.7270/Q2SX6FN7 |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50441162
(CHEMBL2430879)Show SMILES COc1ccc-2c(c1)C(=N[C@@H](CC(=O)NCC1CC1)c1nnc(C)n-21)c1ccc(Cl)cc1 |r,c:9| Show InChI InChI=1S/C24H24ClN5O2/c1-14-28-29-24-20(12-22(31)26-13-15-3-4-15)27-23(16-5-7-17(25)8-6-16)19-11-18(32-2)9-10-21(19)30(14)24/h5-11,15,20H,3-4,12-13H2,1-2H3,(H,26,31)/t20-/m0/s1 | PDB
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B.MOAD antibodypedia GoogleScholar AffyNet
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Similars
| Article PubMed
| n/a | n/a | 501 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Binding affinity to His6-tagged BRD4 (unknown origin) after 60 mins by fluorescence anisotropy binding Assay |
J Med Chem 56: 7501-15 (2013)
Article DOI: 10.1021/jm401088k BindingDB Entry DOI: 10.7270/Q2SX6FN7 |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50028114
(CHEMBL3352833)Show SMILES C[C@H]1C[C@@H](Nc2ccccc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C25H24N2O3/c1-16-14-23(26-21-6-4-3-5-7-21)22-15-20(12-13-24(22)27(16)17(2)28)18-8-10-19(11-9-18)25(29)30/h3-13,15-16,23,26H,14H2,1-2H3,(H,29,30)/t16-,23+/m0/s1 | PDB
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| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 501 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Displacement of biotinylated tetra-acetylated histone H4 from His6-tagged BRD4 (1 to 477 aa) (unknown origin) after 1 hr by TR-FRET assay |
J Med Chem 57: 8111-31 (2014)
Article DOI: 10.1021/jm5010539 BindingDB Entry DOI: 10.7270/Q23R0VGR |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50441166
(CHEMBL2430875)Show SMILES COc1ccc-2c(c1)C(=N[C@@H](CC(=O)Nc1ccc(F)cc1)c1nnc(C)n-21)c1ccc(Cl)cc1 |r,c:9| Show InChI InChI=1S/C26H21ClFN5O2/c1-15-31-32-26-22(14-24(34)29-19-9-7-18(28)8-10-19)30-25(16-3-5-17(27)6-4-16)21-13-20(35-2)11-12-23(21)33(15)26/h3-13,22H,14H2,1-2H3,(H,29,34)/t22-/m0/s1 | PDB
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| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 501 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Binding affinity to His6-tagged BRD4 (unknown origin) after 60 mins by fluorescence anisotropy binding Assay |
J Med Chem 56: 7501-15 (2013)
Article DOI: 10.1021/jm401088k BindingDB Entry DOI: 10.7270/Q2SX6FN7 |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50441171
(CHEMBL2430869)Show SMILES Cc1nnc2C(NC(=O)OCc3ccc(F)cc3)N=C(c3ccccc3)c3ccccc3-n12 |t:19| Show InChI InChI=1S/C25H20FN5O2/c1-16-29-30-24-23(28-25(32)33-15-17-11-13-19(26)14-12-17)27-22(18-7-3-2-4-8-18)20-9-5-6-10-21(20)31(16)24/h2-14,23H,15H2,1H3,(H,28,32) | PDB
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Similars
| Article PubMed
| n/a | n/a | 501 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Binding affinity to His6-tagged BRD4 (unknown origin) after 60 mins by fluorescence anisotropy binding Assay |
J Med Chem 56: 7501-15 (2013)
Article DOI: 10.1021/jm401088k BindingDB Entry DOI: 10.7270/Q2SX6FN7 |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50441176
(CHEMBL2430892)Show SMILES COc1ccc-2c(c1)C(=NC(NC(=O)OCc1ccccc1)c1nnc(C)n-21)c1ccccc1 |c:9| Show InChI InChI=1S/C26H23N5O3/c1-17-29-30-25-24(28-26(32)34-16-18-9-5-3-6-10-18)27-23(19-11-7-4-8-12-19)21-15-20(33-2)13-14-22(21)31(17)25/h3-15,24H,16H2,1-2H3,(H,28,32) | PDB
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Similars
| Article PubMed
| n/a | n/a | 501 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Binding affinity to His6-tagged BRD4 (unknown origin) after 60 mins by fluorescence anisotropy binding Assay |
J Med Chem 56: 7501-15 (2013)
Article DOI: 10.1021/jm401088k BindingDB Entry DOI: 10.7270/Q2SX6FN7 |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50365264
(CHEMBL1738926)Show SMILES Cc1nnc2[C@H](NC(=O)OCc3ccccc3)N=C(c3ccccc3)c3ccccc3-n12 |r,t:18| Show InChI InChI=1S/C25H21N5O2/c1-17-28-29-24-23(27-25(31)32-16-18-10-4-2-5-11-18)26-22(19-12-6-3-7-13-19)20-14-8-9-15-21(20)30(17)24/h2-15,23H,16H2,1H3,(H,27,31)/t23-/m0/s1 | PDB
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| n/a | n/a | 501 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Binding affinity to His6-tagged BRD4 (unknown origin) after 60 mins by fluorescence anisotropy binding Assay |
J Med Chem 56: 7501-15 (2013)
Article DOI: 10.1021/jm401088k BindingDB Entry DOI: 10.7270/Q2SX6FN7 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Bromodomain-containing protein 3
(Homo sapiens (Human)) | BDBM50441168
(CHEMBL2430873)Show SMILES CCOC(=O)N[C@@H]1N=C(c2ccccc2)c2ccccc2-n2c(C)nnc12 |r,t:7| Show InChI InChI=1S/C20H19N5O2/c1-3-27-20(26)22-18-19-24-23-13(2)25(19)16-12-8-7-11-15(16)17(21-18)14-9-5-4-6-10-14/h4-12,18H,3H2,1-2H3,(H,22,26)/t18-/m0/s1 | PDB
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Similars
| Article PubMed
| n/a | n/a | 501 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Binding affinity to His6-tagged BRD3 (unknown origin) after 60 mins by fluorescence anisotropy binding Assay |
J Med Chem 56: 7501-15 (2013)
Article DOI: 10.1021/jm401088k BindingDB Entry DOI: 10.7270/Q2SX6FN7 |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50028117
(CHEMBL3353989)Show SMILES C[C@H]1C[C@@H](Nc2ccccc2)c2cc(ccc2N1C(C)=O)-c1ccc(CO)cc1 |r| Show InChI InChI=1S/C25H26N2O2/c1-17-14-24(26-22-6-4-3-5-7-22)23-15-21(12-13-25(23)27(17)18(2)29)20-10-8-19(16-28)9-11-20/h3-13,15,17,24,26,28H,14,16H2,1-2H3/t17-,24+/m0/s1 | PDB
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Similars
| Article PubMed
| n/a | n/a | 501 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Displacement of biotinylated tetra-acetylated histone H4 from His6-tagged BRD4 (1 to 477 aa) (unknown origin) after 1 hr by TR-FRET assay |
J Med Chem 57: 8111-31 (2014)
Article DOI: 10.1021/jm5010539 BindingDB Entry DOI: 10.7270/Q23R0VGR |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50028125
(CHEMBL3353990)Show SMILES C[C@H]1C[C@@H](Nc2ccccc2)c2cc(ccc2N1C(C)=O)-c1ccc(CN2CCOCC2)cc1 |r| Show InChI InChI=1S/C29H33N3O2/c1-21-18-28(30-26-6-4-3-5-7-26)27-19-25(12-13-29(27)32(21)22(2)33)24-10-8-23(9-11-24)20-31-14-16-34-17-15-31/h3-13,19,21,28,30H,14-18,20H2,1-2H3/t21-,28+/m0/s1 | PDB
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Patents
Similars
| Article PubMed
| n/a | n/a | 501 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Displacement of biotinylated tetra-acetylated histone H4 from His6-tagged BRD4 (1 to 477 aa) (unknown origin) after 1 hr by TR-FRET assay |
J Med Chem 57: 8111-31 (2014)
Article DOI: 10.1021/jm5010539 BindingDB Entry DOI: 10.7270/Q23R0VGR |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50028142
(CHEMBL2177300)Show SMILES C[C@H]1C[C@@H](Nc2ccc(Cl)cc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C25H23ClN2O3/c1-15-13-23(27-21-10-8-20(26)9-11-21)22-14-19(7-12-24(22)28(15)16(2)29)17-3-5-18(6-4-17)25(30)31/h3-12,14-15,23,27H,13H2,1-2H3,(H,30,31)/t15-,23+/m0/s1 | PDB
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CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 501 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Displacement of biotinylated tetra-acetylated histone H4 from His6-tagged BRD4 (1 to 477 aa) (unknown origin) after 1 hr by TR-FRET assay |
J Med Chem 57: 8111-31 (2014)
Article DOI: 10.1021/jm5010539 BindingDB Entry DOI: 10.7270/Q23R0VGR |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50028146
(CHEMBL3354003)Show SMILES COc1cccc(N[C@@H]2C[C@H](C)N(C(C)=O)c3ccc(cc23)-c2ccc(cc2)C(O)=O)c1 |r| Show InChI InChI=1S/C26H26N2O4/c1-16-13-24(27-21-5-4-6-22(15-21)32-3)23-14-20(11-12-25(23)28(16)17(2)29)18-7-9-19(10-8-18)26(30)31/h4-12,14-16,24,27H,13H2,1-3H3,(H,30,31)/t16-,24+/m0/s1 | PDB
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B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 501 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Displacement of biotinylated tetra-acetylated histone H4 from His6-tagged BRD4 (1 to 477 aa) (unknown origin) after 1 hr by TR-FRET assay |
J Med Chem 57: 8111-31 (2014)
Article DOI: 10.1021/jm5010539 BindingDB Entry DOI: 10.7270/Q23R0VGR |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50028154
(CHEMBL3354008)Show SMILES C[C@H]1C[C@@H](Nc2ccc(Cl)cc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(N)=O |r| Show InChI InChI=1S/C25H24ClN3O2/c1-15-13-23(28-21-10-8-20(26)9-11-21)22-14-19(7-12-24(22)29(15)16(2)30)17-3-5-18(6-4-17)25(27)31/h3-12,14-15,23,28H,13H2,1-2H3,(H2,27,31)/t15-,23+/m0/s1 | PDB
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UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 501 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Displacement of biotinylated tetra-acetylated histone H4 from His6-tagged BRD4 (1 to 477 aa) (unknown origin) after 1 hr by TR-FRET assay |
J Med Chem 57: 8111-31 (2014)
Article DOI: 10.1021/jm5010539 BindingDB Entry DOI: 10.7270/Q23R0VGR |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50028142
(CHEMBL2177300)Show SMILES C[C@H]1C[C@@H](Nc2ccc(Cl)cc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C25H23ClN2O3/c1-15-13-23(27-21-10-8-20(26)9-11-21)22-14-19(7-12-24(22)28(15)16(2)29)17-3-5-18(6-4-17)25(30)31/h3-12,14-15,23,27H,13H2,1-2H3,(H,30,31)/t15-,23+/m0/s1 | PDB
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CHEMBL MCE PC cid PC sid PDB UniChem
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| Article PubMed
| n/a | n/a | 501 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Displacement of biotinylated tetra-acetylated histone H4 from His6-tagged BRD4 (1 to 477 aa) (unknown origin) after 1 hr by TR-FRET assay |
J Med Chem 57: 8111-31 (2014)
Article DOI: 10.1021/jm5010539 BindingDB Entry DOI: 10.7270/Q23R0VGR |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 2
(Homo sapiens (Human)) | BDBM50028128
(CHEMBL3353992)Show SMILES C[C@H]1C[C@@H](Nc2ccccc2)c2cc(ccc2N1C(C)=O)-c1ccc(CN2CCCCC2)cc1 |r| Show InChI InChI=1S/C30H35N3O/c1-22-19-29(31-27-9-5-3-6-10-27)28-20-26(15-16-30(28)33(22)23(2)34)25-13-11-24(12-14-25)21-32-17-7-4-8-18-32/h3,5-6,9-16,20,22,29,31H,4,7-8,17-19,21H2,1-2H3/t22-,29+/m0/s1 | PDB
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| n/a | n/a | 501 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Displacement of biotinylated tetra-acetylated histone H4 from His6-tagged BRD2 (1 to 473 aa) (unknown origin) after 1 hr by TR-FRET assay |
J Med Chem 57: 8111-31 (2014)
Article DOI: 10.1021/jm5010539 BindingDB Entry DOI: 10.7270/Q23R0VGR |
More data for this Ligand-Target Pair | |