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Compile Data Set for Download or QSAR

Found 146 hits Enz. Inhib. hit(s) with all data for entry = 50044740   
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 3


(Homo sapiens (Human))
BDBM50028142
PNG
(CHEMBL2177300)
Show SMILES C[C@H]1C[C@@H](Nc2ccc(Cl)cc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(O)=O
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
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n/an/a 0.251n/an/an/an/an/an/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
PNG
(CHEMBL2177300)
Show SMILES C[C@H]1C[C@@H](Nc2ccc(Cl)cc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(O)=O
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
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n/an/a 0.398n/an/an/an/an/an/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
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50028142
PNG
(CHEMBL2177300)
Show SMILES C[C@H]1C[C@@H](Nc2ccc(Cl)cc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(O)=O
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
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n/an/a 0.398n/an/an/an/an/an/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
3D
3D Structure (crystal)
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50028142
PNG
(CHEMBL2177300)
Show SMILES C[C@H]1C[C@@H](Nc2ccc(Cl)cc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(O)=O
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
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n/an/a 0.631n/an/an/an/an/an/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)
BDBM50028142
PNG
(CHEMBL2177300)
Show SMILES C[C@H]1C[C@@H](Nc2ccc(Cl)cc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(O)=O
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
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n/an/a<1n/an/an/an/an/an/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)
BDBM50028142
PNG
(CHEMBL2177300)
Show SMILES C[C@H]1C[C@@H](Nc2ccc(Cl)cc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(O)=O
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
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n/an/a<1.30n/an/an/an/an/an/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
PNG
(CHEMBL2177300)
Show SMILES C[C@H]1C[C@@H](Nc2ccc(Cl)cc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(O)=O
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
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n/an/a 2n/an/an/an/an/an/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
PNG
(CHEMBL2177300)
Show SMILES C[C@H]1C[C@@H](Nc2ccc(Cl)cc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(O)=O
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
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n/an/a 3.20n/an/an/an/an/an/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
3D
3D Structure (crystal)
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50028142
PNG
(CHEMBL2177300)
Show SMILES C[C@H]1C[C@@H](Nc2ccc(Cl)cc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(O)=O
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
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n/an/a 3.20n/an/an/an/an/an/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
3D
3D Structure (crystal)
Peregrin


(Homo sapiens)
BDBM50028142
PNG
(CHEMBL2177300)
Show SMILES C[C@H]1C[C@@H](Nc2ccc(Cl)cc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(O)=O
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
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n/an/a<4n/an/an/an/an/an/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 testis-specific protein


(Homo sapiens)
BDBM50028142
PNG
(CHEMBL2177300)
Show SMILES C[C@H]1C[C@@H](Nc2ccc(Cl)cc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(O)=O
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
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n/an/a 50n/an/an/an/an/an/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 3


(Homo sapiens (Human))
BDBM50028141
PNG
(CHEMBL3353999)
Show SMILES C[C@H]1C[C@@H](Nc2ccc(C)cc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(O)=O
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
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n/an/a 158n/an/an/an/an/an/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
PNG
(CHEMBL2177300)
Show SMILES C[C@H]1C[C@@H](Nc2ccc(Cl)cc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(O)=O
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
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n/an/a 158n/an/an/an/an/an/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
3D
3D Structure (crystal)
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50028142
PNG
(CHEMBL2177300)
Show SMILES C[C@H]1C[C@@H](Nc2ccc(Cl)cc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(O)=O
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
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n/an/a 200n/an/an/an/an/an/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))
BDBM50028141
PNG
(CHEMBL3353999)
Show SMILES C[C@H]1C[C@@H](Nc2ccc(C)cc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(O)=O
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
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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))
BDBM50028141
PNG
(CHEMBL3353999)
Show SMILES C[C@H]1C[C@@H](Nc2ccc(C)cc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(O)=O
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
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n/an/a 251n/an/an/an/an/an/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
PNG
(CHEMBL2177300)
Show SMILES C[C@H]1C[C@@H](Nc2ccc(Cl)cc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(O)=O
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
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n/an/a 251n/an/an/an/an/an/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
3D Structure (crystal)
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50028128
PNG
(CHEMBL3353992)
Show SMILES C[C@H]1C[C@@H](Nc2ccccc2)c2cc(ccc2N1C(C)=O)-c1ccc(CN2CCCCC2)cc1
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
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n/an/a 316n/an/an/an/an/an/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))
BDBM50028139
PNG
(CHEMBL3353997)
Show SMILES C[C@H]1C[C@@H](Nc2ccc(cc2)S(C)(=O)=O)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(O)=O
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
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n/an/a 316n/an/an/an/an/an/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
Histone acetyltransferase KAT2A


(Homo sapiens)
BDBM50028142
PNG
(CHEMBL2177300)
Show SMILES C[C@H]1C[C@@H](Nc2ccc(Cl)cc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(O)=O
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
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n/an/a<316n/an/an/an/an/an/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 3


(Homo sapiens (Human))
BDBM50028139
PNG
(CHEMBL3353997)
Show SMILES C[C@H]1C[C@@H](Nc2ccc(cc2)S(C)(=O)=O)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(O)=O
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
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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))
BDBM50028141
PNG
(CHEMBL3353999)
Show SMILES C[C@H]1C[C@@H](Nc2ccc(C)cc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(O)=O
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
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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
PNG
(CHEMBL2177300)
Show SMILES C[C@H]1C[C@@H](Nc2ccc(Cl)cc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(O)=O
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
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n/an/a 398n/an/an/an/an/an/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
3D
3D Structure (crystal)
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50028114
PNG
(CHEMBL3352833)
Show SMILES C[C@H]1C[C@@H](Nc2ccccc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(O)=O
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
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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
PNG
(CHEMBL3354008)
Show SMILES C[C@H]1C[C@@H](Nc2ccc(Cl)cc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(N)=O
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
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n/an/a 398n/an/an/an/an/an/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))
BDBM50028128
PNG
(CHEMBL3353992)
Show SMILES C[C@H]1C[C@@H](Nc2ccccc2)c2cc(ccc2N1C(C)=O)-c1ccc(CN2CCCCC2)cc1
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
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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
3D Structure (crystal)
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50028126
PNG
(CHEMBL3353991)
Show SMILES C[C@H]1C[C@@H](Nc2ccccc2)c2cc(ccc2N1C(C)=O)-c1cccc(CN2CCCCC2)c1
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
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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
PNG
(CHEMBL2177300)
Show SMILES C[C@H]1C[C@@H](Nc2ccc(Cl)cc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(O)=O
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
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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))
BDBM50028150
PNG
(CHEMBL3354006)
Show SMILES C[C@H]1C[C@@H](Nc2ccc(Cl)cc2)c2cc(ccc2N1C(C)=O)-c1cccc(c1)C(O)=O
Show InChI InChI=1S/C25H23ClN2O3/c1-15-12-23(27-21-9-7-20(26)8-10-21)22-14-18(6-11-24(22)28(15)16(2)29)17-4-3-5-19(13-17)25(30)31/h3-11,13-15,23,27H,12H2,1-2H3,(H,30,31)/t15-,23+/m0/s1
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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))
BDBM50028148
PNG
(CHEMBL3354004)
Show SMILES COc1ccccc1N[C@@H]1C[C@H](C)N(C(C)=O)c2ccc(cc12)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C26H26N2O4/c1-16-14-23(27-22-6-4-5-7-25(22)32-3)21-15-20(12-13-24(21)28(16)17(2)29)18-8-10-19(11-9-18)26(30)31/h4-13,15-16,23,27H,14H2,1-3H3,(H,30,31)/t16-,23+/m0/s1
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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))
BDBM50028146
PNG
(CHEMBL3354003)
Show SMILES COc1cccc(N[C@@H]2C[C@H](C)N(C(C)=O)c3ccc(cc23)-c2ccc(cc2)C(O)=O)c1
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
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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))
BDBM50028140
PNG
(CHEMBL3353998)
Show SMILES COC(=O)c1ccc(cc1)-c1ccc2N([C@@H](C)C[C@@H](Nc3ccc(cc3)S(C)(=O)=O)c2c1)C(C)=O
Show InChI InChI=1S/C27H28N2O5S/c1-17-15-25(28-22-10-12-23(13-11-22)35(4,32)33)24-16-21(9-14-26(24)29(17)18(2)30)19-5-7-20(8-6-19)27(31)34-3/h5-14,16-17,25,28H,15H2,1-4H3/t17-,25+/m0/s1
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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))
BDBM50028138
PNG
(CHEMBL3353996)
Show SMILES COC(=O)c1ccc(cc1)-c1ccc2N([C@@H](C)C[C@@H](Nc3ccc(cc3)C(C)(C)C)c2c1)C(C)=O
Show InChI InChI=1S/C30H34N2O3/c1-19-17-27(31-25-14-12-24(13-15-25)30(3,4)5)26-18-23(11-16-28(26)32(19)20(2)33)21-7-9-22(10-8-21)29(34)35-6/h7-16,18-19,27,31H,17H2,1-6H3/t19-,27+/m0/s1
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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))
BDBM50028117
PNG
(CHEMBL3353989)
Show SMILES C[C@H]1C[C@@H](Nc2ccccc2)c2cc(ccc2N1C(C)=O)-c1ccc(CO)cc1
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
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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))
BDBM50028113
PNG
(CHEMBL3353984)
Show SMILES C[C@H]1C[C@@H](Nc2ccccc2)c2cc(ccc2N1C(C)=O)-c1ccccc1
Show InChI InChI=1S/C24H24N2O/c1-17-15-23(25-21-11-7-4-8-12-21)22-16-20(19-9-5-3-6-10-19)13-14-24(22)26(17)18(2)27/h3-14,16-17,23,25H,15H2,1-2H3/t17-,23+/m0/s1
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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))
BDBM50028141
PNG
(CHEMBL3353999)
Show SMILES C[C@H]1C[C@@H](Nc2ccc(C)cc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(O)=O
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
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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 2


(Homo sapiens (Human))
BDBM50028138
PNG
(CHEMBL3353996)
Show SMILES COC(=O)c1ccc(cc1)-c1ccc2N([C@@H](C)C[C@@H](Nc3ccc(cc3)C(C)(C)C)c2c1)C(C)=O
Show InChI InChI=1S/C30H34N2O3/c1-19-17-27(31-25-14-12-24(13-15-25)30(3,4)5)26-18-23(11-16-28(26)32(19)20(2)33)21-7-9-22(10-8-21)29(34)35-6/h7-16,18-19,27,31H,17H2,1-6H3/t19-,27+/m0/s1
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n/an/a 501n/an/an/an/an/an/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 2


(Homo sapiens (Human))
BDBM50028128
PNG
(CHEMBL3353992)
Show SMILES C[C@H]1C[C@@H](Nc2ccccc2)c2cc(ccc2N1C(C)=O)-c1ccc(CN2CCCCC2)cc1
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
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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
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50028154
PNG
(CHEMBL3354008)
Show SMILES C[C@H]1C[C@@H](Nc2ccc(Cl)cc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(N)=O
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
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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
PNG
(CHEMBL3354003)
Show SMILES COc1cccc(N[C@@H]2C[C@H](C)N(C(C)=O)c3ccc(cc23)-c2ccc(cc2)C(O)=O)c1
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
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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
PNG
(CHEMBL2177300)
Show SMILES C[C@H]1C[C@@H](Nc2ccc(Cl)cc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(O)=O
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
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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
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50028125
PNG
(CHEMBL3353990)
Show SMILES C[C@H]1C[C@@H](Nc2ccccc2)c2cc(ccc2N1C(C)=O)-c1ccc(CN2CCOCC2)cc1
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
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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))
BDBM50028114
PNG
(CHEMBL3352833)
Show SMILES C[C@H]1C[C@@H](Nc2ccccc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(O)=O
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
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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))
BDBM50028117
PNG
(CHEMBL3353989)
Show SMILES C[C@H]1C[C@@H](Nc2ccccc2)c2cc(ccc2N1C(C)=O)-c1ccc(CO)cc1
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
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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
Protein polybromo-1


(Homo sapiens)
BDBM50028142
PNG
(CHEMBL2177300)
Show SMILES C[C@H]1C[C@@H](Nc2ccc(Cl)cc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(O)=O
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
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human PBRM1 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))
BDBM50028138
PNG
(CHEMBL3353996)
Show SMILES COC(=O)c1ccc(cc1)-c1ccc2N([C@@H](C)C[C@@H](Nc3ccc(cc3)C(C)(C)C)c2c1)C(C)=O
Show InChI InChI=1S/C30H34N2O3/c1-19-17-27(31-25-14-12-24(13-15-25)30(3,4)5)26-18-23(11-16-28(26)32(19)20(2)33)21-7-9-22(10-8-21)29(34)35-6/h7-16,18-19,27,31H,17H2,1-6H3/t19-,27+/m0/s1
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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))
BDBM50028140
PNG
(CHEMBL3353998)
Show SMILES COC(=O)c1ccc(cc1)-c1ccc2N([C@@H](C)C[C@@H](Nc3ccc(cc3)S(C)(=O)=O)c2c1)C(C)=O
Show InChI InChI=1S/C27H28N2O5S/c1-17-15-25(28-22-10-12-23(13-11-22)35(4,32)33)24-16-21(9-14-26(24)29(17)18(2)30)19-5-7-20(8-6-19)27(31)34-3/h5-14,16-17,25,28H,15H2,1-4H3/t17-,25+/m0/s1
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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))
BDBM50028141
PNG
(CHEMBL3353999)
Show SMILES C[C@H]1C[C@@H](Nc2ccc(C)cc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(O)=O
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
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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))
BDBM50028148
PNG
(CHEMBL3354004)
Show SMILES COc1ccccc1N[C@@H]1C[C@H](C)N(C(C)=O)c2ccc(cc12)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C26H26N2O4/c1-16-14-23(27-22-6-4-5-7-25(22)32-3)21-15-20(12-13-24(21)28(16)17(2)29)18-8-10-19(11-9-18)26(30)31/h4-13,15-16,23,27H,14H2,1-3H3,(H,30,31)/t16-,23+/m0/s1
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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))
BDBM50028114
PNG
(CHEMBL3352833)
Show SMILES C[C@H]1C[C@@H](Nc2ccccc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(O)=O
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
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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
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