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PubMed code 25249180

Compile data set for download or QSAR
Found 146 hits of Enzyme Inhibition Constant Data   
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 |r|
Show InChI InChI=1/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+/s2
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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
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 |r|
Show InChI InChI=1/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+/s2
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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
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 |r|
Show InChI InChI=1/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+/s2
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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
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 |r|
Show InChI InChI=1/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+/s2
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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
More data for this
Ligand-Target Pair
Bromodomain and PHD finger-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 |r|
Show InChI InChI=1/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+/s2
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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
More data for this
Ligand-Target Pair
Bromodomain-containing protein 7


(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 |r|
Show InChI InChI=1/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+/s2
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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
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 |r|
Show InChI InChI=1/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+/s2
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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
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 |r|
Show InChI InChI=1/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+/s2
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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
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 |r|
Show InChI InChI=1/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+/s2
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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
More data for this
Ligand-Target Pair
Peregrin


(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 |r|
Show InChI InChI=1/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+/s2
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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
More data for this
Ligand-Target Pair
Bromodomain testis-specific protein


(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 |r|
Show InChI InChI=1/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+/s2
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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
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 |r|
Show InChI InChI=1/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+/s2
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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
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 |r|
Show InChI InChI=1/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+/s2
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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
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 |r|
Show InChI InChI=1/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+/s2
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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
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 |r|
Show InChI InChI=1/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+/s2
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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
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 |r|
Show InChI InChI=1/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+/s2
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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
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 |r|
Show InChI InChI=1/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+/s2
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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
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 |r|
Show InChI InChI=1/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+/s2
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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
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 |r|
Show InChI InChI=1/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+/s2
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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
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2A


(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 |r|
Show InChI InChI=1/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+/s2
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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
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 |r|
Show InChI InChI=1/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+/s2
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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
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 |r|
Show InChI InChI=1/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+/s2
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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
More data for this
Ligand-Target Pair
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 |r|
Show InChI InChI=1/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+/s2
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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
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 |r|
Show InChI InChI=1/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+/s2
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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
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 |r|
Show InChI InChI=1/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+/s2
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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
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 |r|
Show InChI InChI=1/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+/s2
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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
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 |r|
Show InChI InChI=1/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+/s2
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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
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 |r|
Show InChI InChI=1/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+/s2
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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
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 |r|
Show InChI InChI=1/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+/s2
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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
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 |r|
Show InChI InChI=1/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+/s2
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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
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 |r|
Show InChI InChI=1/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+/s2
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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
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 |r|
Show InChI InChI=1/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+/s2
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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
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 |r|
Show InChI InChI=1/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+/s2
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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
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 |r|
Show InChI InChI=1/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+/s2
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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
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 |r|
Show InChI InChI=1/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+/s2
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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
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 |r|
Show InChI InChI=1/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+/s2
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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
More data for this
Ligand-Target Pair
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 |r|
Show InChI InChI=1/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+/s2
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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
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 |r|
Show InChI InChI=1/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+/s2
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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
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 |r|
Show InChI InChI=1/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+/s2
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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
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 |r|
Show InChI InChI=1/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+/s2
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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
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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 |r|
Show InChI InChI=1/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+/s2
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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
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 |r|
Show InChI InChI=1/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+/s2
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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
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 |r|
Show InChI InChI=1/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+/s2
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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
More data for this
Ligand-Target Pair
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 |r|
Show InChI InChI=1/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+/s2
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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
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50028116
PNG
(CHEMBL3353988)
Show SMILES COc1ccc(cc1)-c1ccc2N([C@@H](C)C[C@@H](Nc3ccccc3)c2c1)C(C)=O |r|
Show InChI InChI=1/C25H26N2O2/c1-17-15-24(26-21-7-5-4-6-8-21)23-16-20(11-14-25(23)27(17)18(2)28)19-9-12-22(29-3)13-10-19/h4-14,16-17,24,26H,15H2,1-3H3/t17-,24+/s2
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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
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50028112
PNG
(CHEMBL3353985)
Show SMILES C[C@H]1C[C@@H](Nc2ccccc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C#N |r|
Show InChI InChI=1/C25H23N3O/c1-17-14-24(27-22-6-4-3-5-7-22)23-15-21(12-13-25(23)28(17)18(2)29)20-10-8-19(16-26)9-11-20/h3-13,15,17,24,27H,14H2,1-2H3/t17-,24+/s2
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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
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 |r|
Show InChI InChI=1/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+/s2
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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
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 |r|
Show InChI InChI=1/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+/s2
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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
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(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 |r|
Show InChI InChI=1/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+/s2
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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
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 |r|
Show InChI InChI=1/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+/s2
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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
More data for this
Ligand-Target Pair
Protein polybromo-1


(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 |r|
Show InChI InChI=1/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+/s2
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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
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50028116
PNG
(CHEMBL3353988)
Show SMILES COc1ccc(cc1)-c1ccc2N([C@@H](C)C[C@@H](Nc3ccccc3)c2c1)C(C)=O |r|
Show InChI InChI=1/C25H26N2O2/c1-17-15-24(26-21-7-5-4-6-8-21)23-16-20(11-14-25(23)27(17)18(2)28)19-9-12-22(29-3)13-10-19/h4-14,16-17,24,26H,15H2,1-3H3/t17-,24+/s2
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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
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 |r|
Show InChI InChI=1/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+/s2
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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
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 |r|
Show InChI InChI=1/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+/s2
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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
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(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 |r|
Show InChI InChI=1/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+/s2
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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
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50028125
PNG
(CHEMBL3353990)
Show SMILES C[C@H]1C[C@@H](Nc2ccccc2)c2cc(ccc2N1C(C)=O)-c1ccc(CN2CCOCC2)cc1 |r|
Show InChI InChI=1/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+/s2
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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
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50028143
PNG
(CHEMBL3354000)
Show SMILES COC(=O)c1ccc(cc1)-c1ccc2N([C@@H](C)C[C@@H](Nc3ccc(F)cc3)c2c1)C(C)=O |r|
Show InChI InChI=1/C26H25FN2O3/c1-16-14-24(28-22-11-9-21(27)10-12-22)23-15-20(8-13-25(23)29(16)17(2)30)18-4-6-19(7-5-18)26(31)32-3/h4-13,15-16,24,28H,14H2,1-3H3/t16-,24+/s2
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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
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50028113
PNG
(CHEMBL3353984)
Show SMILES C[C@H]1C[C@@H](Nc2ccccc2)c2cc(ccc2N1C(C)=O)-c1ccccc1 |r|
Show InChI InChI=1/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+/s2
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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
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(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 |r|
Show InChI InChI=1/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+/s2
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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
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50028144
PNG
(CHEMBL3354001)
Show SMILES C[C@H]1C[C@@H](Nc2cccc(F)c2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C#N |r|
Show InChI InChI=1/C25H22FN3O/c1-16-12-24(28-22-5-3-4-21(26)14-22)23-13-20(10-11-25(23)29(16)17(2)30)19-8-6-18(15-27)7-9-19/h3-11,13-14,16,24,28H,12H2,1-2H3/t16-,24+/s2
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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
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(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 |r|
Show InChI InChI=1/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+/s2
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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
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50028145
PNG
(CHEMBL3354002)
Show SMILES COc1cccc(N[C@@H]2C[C@H](C)N(C(C)=O)c3ccc(cc23)-c2ccc(cc2)C#N)c1 |r|
Show InChI InChI=1/C26H25N3O2/c1-17-13-25(28-22-5-4-6-23(15-22)31-3)24-14-21(11-12-26(24)29(17)18(2)30)20-9-7-19(16-27)8-10-20/h4-12,14-15,17,25,28H,13H2,1-3H3/t17-,25+/s2
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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
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50028112
PNG
(CHEMBL3353985)
Show SMILES C[C@H]1C[C@@H](Nc2ccccc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C#N |r|
Show InChI InChI=1/C25H23N3O/c1-17-14-24(27-22-6-4-3-5-7-22)23-15-21(12-13-25(23)28(17)18(2)29)20-10-8-19(16-26)9-11-20/h3-13,15,17,24,27H,14H2,1-2H3/t17-,24+/s2
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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
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50028117
PNG
(CHEMBL3353989)
Show SMILES C[C@H]1C[C@@H](Nc2ccccc2)c2cc(ccc2N1C(C)=O)-c1ccc(CO)cc1 |r|
Show InChI InChI=1/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+/s2
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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
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50028126
PNG
(CHEMBL3353991)
Show SMILES C[C@H]1C[C@@H](Nc2ccccc2)c2cc(ccc2N1C(C)=O)-c1cccc(CN2CCCCC2)c1 |r|
Show InChI InChI=1/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+/s2
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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
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50028125
PNG
(CHEMBL3353990)
Show SMILES C[C@H]1C[C@@H](Nc2ccccc2)c2cc(ccc2N1C(C)=O)-c1ccc(CN2CCOCC2)cc1 |r|
Show InChI InChI=1/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+/s2
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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
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(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 |r|
Show InChI InChI=1/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+/s2
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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
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50028113
PNG
(CHEMBL3353984)
Show SMILES C[C@H]1C[C@@H](Nc2ccccc2)c2cc(ccc2N1C(C)=O)-c1ccccc1 |r|
Show InChI InChI=1/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+/s2
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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
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50028149
PNG
(CHEMBL3354005)
Show SMILES C[C@H]1C[C@@H](Nc2ccc(Cl)cc2)c2cc(ccc2N1C(C)=O)-c1ccc(CN2CCCCC2)cc1 |r|
Show InChI InChI=1/C30H34ClN3O/c1-21-18-29(32-27-13-11-26(31)12-14-27)28-19-25(10-15-30(28)34(21)22(2)35)24-8-6-23(7-9-24)20-33-16-4-3-5-17-33/h6-15,19,21,29,32H,3-5,16-18,20H2,1-2H3/t21-,29+/s2
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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
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50028144
PNG
(CHEMBL3354001)
Show SMILES C[C@H]1C[C@@H](Nc2cccc(F)c2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C#N |r|
Show InChI InChI=1/C25H22FN3O/c1-16-12-24(28-22-5-3-4-21(26)14-22)23-13-20(10-11-25(23)29(16)17(2)30)19-8-6-18(15-27)7-9-19/h3-11,13-14,16,24,28H,12H2,1-2H3/t16-,24+/s2
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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
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(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 |r|
Show InChI InChI=1/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+/s2
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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
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50028105
PNG
(CHEMBL3353986)
Show SMILES COC(=O)c1ccc(cc1)-c1ccc2N([C@@H](C)C[C@@H](Nc3ccccc3)c2c1)C(C)=O |r|
Show InChI InChI=1/C26H26N2O3/c1-17-15-24(27-22-7-5-4-6-8-22)23-16-21(13-14-25(23)28(17)18(2)29)19-9-11-20(12-10-19)26(30)31-3/h4-14,16-17,24,27H,15H2,1-3H3/t17-,24+/s2
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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
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50028151
PNG
(CHEMBL3354007)
Show SMILES COC(=O)c1cccc(c1)-c1ccc2N([C@@H](C)C[C@@H](Nc3ccc(Cl)cc3)c2c1)C(C)=O |r|
Show InChI InChI=1/C26H25ClN2O3/c1-16-13-24(28-22-10-8-21(27)9-11-22)23-15-19(7-12-25(23)29(16)17(2)30)18-5-4-6-20(14-18)26(31)32-3/h4-12,14-16,24,28H,13H2,1-3H3/t16-,24+/s2
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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
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50028149
PNG
(CHEMBL3354005)
Show SMILES C[C@H]1C[C@@H](Nc2ccc(Cl)cc2)c2cc(ccc2N1C(C)=O)-c1ccc(CN2CCCCC2)cc1 |r|
Show InChI InChI=1/C30H34ClN3O/c1-21-18-29(32-27-13-11-26(31)12-14-27)28-19-25(10-15-30(28)34(21)22(2)35)24-8-6-23(7-9-24)20-33-16-4-3-5-17-33/h6-15,19,21,29,32H,3-5,16-18,20H2,1-2H3/t21-,29+/s2
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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
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50028151
PNG
(CHEMBL3354007)
Show SMILES COC(=O)c1cccc(c1)-c1ccc2N([C@@H](C)C[C@@H](Nc3ccc(Cl)cc3)c2c1)C(C)=O |r|
Show InChI InChI=1/C26H25ClN2O3/c1-16-13-24(28-22-10-8-21(27)9-11-22)23-15-19(7-12-25(23)29(16)17(2)30)18-5-4-6-20(14-18)26(31)32-3/h4-12,14-16,24,28H,13H2,1-3H3/t16-,24+/s2
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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
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50028143
PNG
(CHEMBL3354000)
Show SMILES COC(=O)c1ccc(cc1)-c1ccc2N([C@@H](C)C[C@@H](Nc3ccc(F)cc3)c2c1)C(C)=O |r|
Show InChI InChI=1/C26H25FN2O3/c1-16-14-24(28-22-11-9-21(27)10-12-22)23-15-20(8-13-25(23)29(16)17(2)30)18-4-6-19(7-5-18)26(31)32-3/h4-13,15-16,24,28H,14H2,1-3H3/t16-,24+/s2
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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
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50028115
PNG
(CHEMBL3353987)
Show SMILES C[C@H]1C[C@@H](Nc2ccccc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1/C25H23F3N2O/c1-16-14-23(29-21-6-4-3-5-7-21)22-15-19(10-13-24(22)30(16)17(2)31)18-8-11-20(12-9-18)25(26,27)28/h3-13,15-16,23,29H,14H2,1-2H3/t16-,23+/s2
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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
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50028112
PNG
(CHEMBL3353985)
Show SMILES C[C@H]1C[C@@H](Nc2ccccc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C#N |r|
Show InChI InChI=1/C25H23N3O/c1-17-14-24(27-22-6-4-3-5-7-22)23-15-21(12-13-25(23)28(17)18(2)29)20-10-8-19(16-26)9-11-20/h3-13,15,17,24,27H,14H2,1-2H3/t17-,24+/s2
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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
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50028145
PNG
(CHEMBL3354002)
Show SMILES COc1cccc(N[C@@H]2C[C@H](C)N(C(C)=O)c3ccc(cc23)-c2ccc(cc2)C#N)c1 |r|
Show InChI InChI=1/C26H25N3O2/c1-17-13-25(28-22-5-4-6-23(15-22)31-3)24-14-21(11-12-26(24)29(17)18(2)30)20-9-7-19(16-27)8-10-20/h4-12,14-15,17,25,28H,13H2,1-3H3/t17-,25+/s2
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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
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50028115
PNG
(CHEMBL3353987)
Show SMILES C[C@H]1C[C@@H](Nc2ccccc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1/C25H23F3N2O/c1-16-14-23(29-21-6-4-3-5-7-21)22-15-19(10-13-24(22)30(16)17(2)31)18-8-11-20(12-9-18)25(26,27)28/h3-13,15-16,23,29H,14H2,1-2H3/t16-,23+/s2
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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
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50028116
PNG
(CHEMBL3353988)
Show SMILES COc1ccc(cc1)-c1ccc2N([C@@H](C)C[C@@H](Nc3ccccc3)c2c1)C(C)=O |r|
Show InChI InChI=1/C25H26N2O2/c1-17-15-24(26-21-7-5-4-6-8-21)23-16-20(11-14-25(23)27(17)18(2)28)19-9-12-22(29-3)13-10-19/h4-14,16-17,24,26H,15H2,1-3H3/t17-,24+/s2
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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
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50028105
PNG
(CHEMBL3353986)
Show SMILES COC(=O)c1ccc(cc1)-c1ccc2N([C@@H](C)C[C@@H](Nc3ccccc3)c2c1)C(C)=O |r|
Show InChI InChI=1/C26H26N2O3/c1-17-15-24(27-22-7-5-4-6-8-22)23-16-21(13-14-25(23)28(17)18(2)29)19-9-11-20(12-10-19)26(30)31-3/h4-14,16-17,24,27H,15H2,1-3H3/t17-,24+/s2
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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
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50028144
PNG
(CHEMBL3354001)
Show SMILES C[C@H]1C[C@@H](Nc2cccc(F)c2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C#N |r|
Show InChI InChI=1/C25H22FN3O/c1-16-12-24(28-22-5-3-4-21(26)14-22)23-13-20(10-11-25(23)29(16)17(2)30)19-8-6-18(15-27)7-9-19/h3-11,13-14,16,24,28H,12H2,1-2H3/t16-,24+/s2
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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
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(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 |r|
Show InChI InChI=1/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+/s2
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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
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50028149
PNG
(CHEMBL3354005)
Show SMILES C[C@H]1C[C@@H](Nc2ccc(Cl)cc2)c2cc(ccc2N1C(C)=O)-c1ccc(CN2CCCCC2)cc1 |r|
Show InChI InChI=1/C30H34ClN3O/c1-21-18-29(32-27-13-11-26(31)12-14-27)28-19-25(10-15-30(28)34(21)22(2)35)24-8-6-23(7-9-24)20-33-16-4-3-5-17-33/h6-15,19,21,29,32H,3-5,16-18,20H2,1-2H3/t21-,29+/s2
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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
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50028105
PNG
(CHEMBL3353986)
Show SMILES COC(=O)c1ccc(cc1)-c1ccc2N([C@@H](C)C[C@@H](Nc3ccccc3)c2c1)C(C)=O |r|
Show InChI InChI=1/C26H26N2O3/c1-17-15-24(27-22-7-5-4-6-8-22)23-16-21(13-14-25(23)28(17)18(2)29)19-9-11-20(12-10-19)26(30)31-3/h4-14,16-17,24,27H,15H2,1-3H3/t17-,24+/s2
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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
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50028126
PNG
(CHEMBL3353991)
Show SMILES C[C@H]1C[C@@H](Nc2ccccc2)c2cc(ccc2N1C(C)=O)-c1cccc(CN2CCCCC2)c1 |r|
Show InChI InChI=1/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+/s2
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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
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50028145
PNG
(CHEMBL3354002)
Show SMILES COc1cccc(N[C@@H]2C[C@H](C)N(C(C)=O)c3ccc(cc23)-c2ccc(cc2)C#N)c1 |r|
Show InChI InChI=1/C26H25N3O2/c1-17-13-25(28-22-5-4-6-23(15-22)31-3)24-14-21(11-12-26(24)29(17)18(2)30)20-9-7-19(16-27)8-10-20/h4-12,14-15,17,25,28H,13H2,1-3H3/t17-,25+/s2
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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
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50028172
PNG
(CHEMBL3354010)
Show SMILES COc1ccc(cc1)-c1ccc2N(CC[C@@H](Nc3ccccc3)c2c1)C(C)=O |r|
Show InChI InChI=1/C24H24N2O2/c1-17(27)26-15-14-23(25-20-6-4-3-5-7-20)22-16-19(10-13-24(22)26)18-8-11-21(28-2)12-9-18/h3-13,16,23,25H,14-15H2,1-2H3/t23-/s2
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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
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50028143
PNG
(CHEMBL3354000)
Show SMILES COC(=O)c1ccc(cc1)-c1ccc2N([C@@H](C)C[C@@H](Nc3ccc(F)cc3)c2c1)C(C)=O |r|
Show InChI InChI=1/C26H25FN2O3/c1-16-14-24(28-22-11-9-21(27)10-12-22)23-15-20(8-13-25(23)29(16)17(2)30)18-4-6-19(7-5-18)26(31)32-3/h4-13,15-16,24,28H,14H2,1-3H3/t16-,24+/s2
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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
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50028115
PNG
(CHEMBL3353987)
Show SMILES C[C@H]1C[C@@H](Nc2ccccc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1/C25H23F3N2O/c1-16-14-23(29-21-6-4-3-5-7-21)22-15-19(10-13-24(22)30(16)17(2)31)18-8-11-20(12-9-18)25(26,27)28/h3-13,15-16,23,29H,14H2,1-2H3/t16-,23+/s2
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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
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50028151
PNG
(CHEMBL3354007)
Show SMILES COC(=O)c1cccc(c1)-c1ccc2N([C@@H](C)C[C@@H](Nc3ccc(Cl)cc3)c2c1)C(C)=O |r|
Show InChI InChI=1/C26H25ClN2O3/c1-16-13-24(28-22-10-8-21(27)9-11-22)23-15-19(7-12-25(23)29(16)17(2)30)18-5-4-6-20(14-18)26(31)32-3/h4-12,14-16,24,28H,13H2,1-3H3/t16-,24+/s2
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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
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50028128
PNG
(CHEMBL3353992)
Show SMILES C[C@H]1C[C@@H](Nc2ccccc2)c2cc(ccc2N1C(C)=O)-c1ccc(CN2CCCCC2)cc1 |r|
Show InChI InChI=1/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+/s2
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP3A4 expressed in Escherichia coli bactosomes using diethoxyfluorescein as substrate after 10 mins by fluorescence ...


J Med Chem 57: 8111-31 (2014)


Article DOI: 10.1021/jm5010539
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50028172
PNG
(CHEMBL3354010)
Show SMILES COc1ccc(cc1)-c1ccc2N(CC[C@@H](Nc3ccccc3)c2c1)C(C)=O |r|
Show InChI InChI=1/C24H24N2O2/c1-17(27)26-15-14-23(25-20-6-4-3-5-7-20)22-16-19(10-13-24(22)26)18-8-11-21(28-2)12-9-18/h3-13,16,23,25H,14-15H2,1-2H3/t23-/s2
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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
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50028155
PNG
(CHEMBL3354009)
Show SMILES C[C@H]1C[C@@H](Nc2ccc(Cl)cc2)c2cc(ccc2N1C(C)=O)-c1ccccc1C |r|
Show InChI InChI=1/C25H25ClN2O/c1-16-6-4-5-7-22(16)19-8-13-25-23(15-19)24(14-17(2)28(25)18(3)29)27-21-11-9-20(26)10-12-21/h4-13,15,17,24,27H,14H2,1-3H3/t17-,24+/s2
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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
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50028155
PNG
(CHEMBL3354009)
Show SMILES C[C@H]1C[C@@H](Nc2ccc(Cl)cc2)c2cc(ccc2N1C(C)=O)-c1ccccc1C |r|
Show InChI InChI=1/C25H25ClN2O/c1-16-6-4-5-7-22(16)19-8-13-25-23(15-19)24(14-17(2)28(25)18(3)29)27-21-11-9-20(26)10-12-21/h4-13,15,17,24,27H,14H2,1-3H3/t17-,24+/s2
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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
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50028155
PNG
(CHEMBL3354009)
Show SMILES C[C@H]1C[C@@H](Nc2ccc(Cl)cc2)c2cc(ccc2N1C(C)=O)-c1ccccc1C |r|
Show InChI InChI=1/C25H25ClN2O/c1-16-6-4-5-7-22(16)19-8-13-25-23(15-19)24(14-17(2)28(25)18(3)29)27-21-11-9-20(26)10-12-21/h4-13,15,17,24,27H,14H2,1-3H3/t17-,24+/s2
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n/an/a 3.98E+3n/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
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50028172
PNG
(CHEMBL3354010)
Show SMILES COc1ccc(cc1)-c1ccc2N(CC[C@@H](Nc3ccccc3)c2c1)C(C)=O |r|
Show InChI InChI=1/C24H24N2O2/c1-17(27)26-15-14-23(25-20-6-4-3-5-7-20)22-16-19(10-13-24(22)26)18-8-11-21(28-2)12-9-18/h3-13,16,23,25H,14-15H2,1-2H3/t23-/s2
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n/an/a 6.31E+3n/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
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50028127
PNG
(CHEMBL3353993)
Show SMILES C[C@H]1C[C@@H](NC=O)c2cc(ccc2N1C(C)=O)-c1ccc(CN2CCCCC2)cc1 |r|
Show InChI InChI=1/C25H31N3O2/c1-18-14-24(26-17-29)23-15-22(10-11-25(23)28(18)19(2)30)21-8-6-20(7-9-21)16-27-12-4-3-5-13-27/h6-11,15,17-18,24H,3-5,12-14,16H2,1-2H3,(H,26,29)/t18-,24+/s2
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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
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50028127
PNG
(CHEMBL3353993)
Show SMILES C[C@H]1C[C@@H](NC=O)c2cc(ccc2N1C(C)=O)-c1ccc(CN2CCCCC2)cc1 |r|
Show InChI InChI=1/C25H31N3O2/c1-18-14-24(26-17-29)23-15-22(10-11-25(23)28(18)19(2)30)21-8-6-20(7-9-21)16-27-12-4-3-5-13-27/h6-11,15,17-18,24H,3-5,12-14,16H2,1-2H3,(H,26,29)/t18-,24+/s2
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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
More data for this
Ligand-Target Pair
Histone acetyltransferase PCAF


(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 |r|
Show InChI InChI=1/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+/s2
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n/an/a<7.94E+3n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human PCAF by BROMOscan assay


J Med Chem 57: 8111-31 (2014)


Article DOI: 10.1021/jm5010539
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50028128
PNG
(CHEMBL3353992)
Show SMILES C[C@H]1C[C@@H](Nc2ccccc2)c2cc(ccc2N1C(C)=O)-c1ccc(CN2CCCCC2)cc1 |r|
Show InChI InChI=1/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+/s2
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n/an/a 8.00E+3n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CYP2D6 expressed in Escherichia coli bactosomes using 4-methylaminomethyl-7-methoyxycoumarin as substrate after 10 mi...


J Med Chem 57: 8111-31 (2014)


Article DOI: 10.1021/jm5010539
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase TRIM33


(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 |r|
Show InChI InChI=1/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+/s2
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n/an/a<1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human TIF1gamma PHD/bromodomain by BROMOscan assay


J Med Chem 57: 8111-31 (2014)


Article DOI: 10.1021/jm5010539
More data for this
Ligand-Target Pair
Transcription intermediary factor 1-alpha


(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 |r|
Show InChI InChI=1/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+/s2
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n/an/a 1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human TIF1alpha bromodomain by BROMOscan assay


J Med Chem 57: 8111-31 (2014)


Article DOI: 10.1021/jm5010539
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50028128
PNG
(CHEMBL3353992)
Show SMILES C[C@H]1C[C@@H](Nc2ccccc2)c2cc(ccc2N1C(C)=O)-c1ccc(CN2CCCCC2)cc1 |r|
Show InChI InChI=1/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+/s2
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n/an/a 1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP3A4 expressed in Escherichia coli bactosomes using 7-benzloxyquinolone as substrate after 10 mins by fluorescence ...


J Med Chem 57: 8111-31 (2014)


Article DOI: 10.1021/jm5010539
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(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 |r|
Show InChI InChI=1/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+/s2
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n/an/a 1.20E+4n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19 (unknown origin) expressed in Escherichia coli bactosomes using 3-butyryl-7-methoxycoumarin as substrate after 10 mins by fluor...


J Med Chem 57: 8111-31 (2014)


Article DOI: 10.1021/jm5010539
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(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 |r|
Show InChI InChI=1/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+/s2
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n/an/a 1.30E+4n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin) expressed in Escherichia coli bactosomes using 7-methoxy-4-trifluoromethylcoumarin-3-acetic acid as substrate a...


J Med Chem 57: 8111-31 (2014)


Article DOI: 10.1021/jm5010539
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50028128
PNG
(CHEMBL3353992)
Show SMILES C[C@H]1C[C@@H](Nc2ccccc2)c2cc(ccc2N1C(C)=O)-c1ccc(CN2CCCCC2)cc1 |r|
Show InChI InChI=1/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+/s2
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n/an/a 1.40E+4n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin) expressed in Escherichia coli bactosomes using 7-methoxy-4-trifluoromethylcoumarin-3-acetic acid as substrate a...


J Med Chem 57: 8111-31 (2014)


Article DOI: 10.1021/jm5010539
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase TRIM33


(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 |r|
Show InChI InChI=1/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+/s2
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n/an/a 1.58E+4n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human WDR2 bromodomain 2 by BROMOscan assay


J Med Chem 57: 8111-31 (2014)


Article DOI: 10.1021/jm5010539
More data for this
Ligand-Target Pair
Transcription intermediary factor 1-alpha


(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 |r|
Show InChI InChI=1/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+/s2
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n/an/a 1.58E+4n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human TIF1alpha PHD/bromodomain by BROMOscan assay


J Med Chem 57: 8111-31 (2014)


Article DOI: 10.1021/jm5010539
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50028127
PNG
(CHEMBL3353993)
Show SMILES C[C@H]1C[C@@H](NC=O)c2cc(ccc2N1C(C)=O)-c1ccc(CN2CCCCC2)cc1 |r|
Show InChI InChI=1/C25H31N3O2/c1-18-14-24(26-17-29)23-15-22(10-11-25(23)28(18)19(2)30)21-8-6-20(7-9-21)16-27-12-4-3-5-13-27/h6-11,15,17-18,24H,3-5,12-14,16H2,1-2H3,(H,26,29)/t18-,24+/s2
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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
More data for this
Ligand-Target Pair
Bromodomain-containing protein 1


(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 |r|
Show InChI InChI=1/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+/s2
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n/an/a<2.00E+4n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human BRD1 by BROMOscan assay


J Med Chem 57: 8111-31 (2014)


Article DOI: 10.1021/jm5010539
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM50028128
PNG
(CHEMBL3353992)
Show SMILES C[C@H]1C[C@@H](Nc2ccccc2)c2cc(ccc2N1C(C)=O)-c1ccc(CN2CCCCC2)cc1 |r|
Show InChI InChI=1/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+/s2
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19 (unknown origin) expressed in Escherichia coli bactosomes using 3-butyryl-7-methoxycoumarin as substrate after 10 mins by fluor...


J Med Chem 57: 8111-31 (2014)


Article DOI: 10.1021/jm5010539
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(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 |r|
Show InChI InChI=1/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+/s2
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n/an/a 2.10E+4n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP3A4 expressed in Escherichia coli bactosomes using diethoxyfluorescein as substrate after 10 mins by fluorescence ...


J Med Chem 57: 8111-31 (2014)


Article DOI: 10.1021/jm5010539
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50028129
PNG
(CHEMBL3353995)
Show SMILES C[C@@H]1C[C@H](Nc2ccccc2)c2cc(ccc2N1C(C)=O)-c1ccc(CN2CCCCC2)cc1 |r|
Show InChI InChI=1/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+/s2
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n/an/a 2.51E+4n/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
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50028104
PNG
(CHEMBL3353994)
Show SMILES C[C@H]1C[C@@H](N)c2cc(ccc2N1C(C)=O)-c1ccc(CN2CCCCC2)cc1 |r|
Show InChI InChI=1/C24H31N3O/c1-17-14-23(25)22-15-21(10-11-24(22)27(17)18(2)28)20-8-6-19(7-9-20)16-26-12-4-3-5-13-26/h6-11,15,17,23H,3-5,12-14,16,25H2,1-2H3/t17-,23+/s2
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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
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50028129
PNG
(CHEMBL3353995)
Show SMILES C[C@@H]1C[C@H](Nc2ccccc2)c2cc(ccc2N1C(C)=O)-c1ccc(CN2CCCCC2)cc1 |r|
Show InChI InChI=1/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+/s2
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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
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50028129
PNG
(CHEMBL3353995)
Show SMILES C[C@@H]1C[C@H](Nc2ccccc2)c2cc(ccc2N1C(C)=O)-c1ccc(CN2CCCCC2)cc1 |r|
Show InChI InChI=1/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+/s2
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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
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50028104
PNG
(CHEMBL3353994)
Show SMILES C[C@H]1C[C@@H](N)c2cc(ccc2N1C(C)=O)-c1ccc(CN2CCCCC2)cc1 |r|
Show InChI InChI=1/C24H31N3O/c1-17-14-23(25)22-15-21(10-11-24(22)27(17)18(2)28)20-8-6-19(7-9-20)16-26-12-4-3-5-13-26/h6-11,15,17,23H,3-5,12-14,16,25H2,1-2H3/t17-,23+/s2
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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
More data for this
Ligand-Target Pair
Bromodomain testis-specific protein


(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 |r|
Show InChI InChI=1/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+/s2
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human BRDT bromodomain 1 by BROMOscan assay


J Med Chem 57: 8111-31 (2014)


Article DOI: 10.1021/jm5010539
More data for this
Ligand-Target Pair
Probable global transcription activator SNF2L2


(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 |r|
Show InChI InChI=1/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+/s2
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human SMARCA2 by BROMOscan assay


J Med Chem 57: 8111-31 (2014)


Article DOI: 10.1021/jm5010539
More data for this
Ligand-Target Pair
Bromodomain-containing protein 9


(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 |r|
Show InChI InChI=1/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+/s2
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human BRD9 by BROMOscan assay


J Med Chem 57: 8111-31 (2014)


Article DOI: 10.1021/jm5010539
More data for this
Ligand-Target Pair
Bromodomain adjacent to zinc finger domain protein 2A


(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 |r|
Show InChI InChI=1/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+/s2
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human BAZ2A by BROMOscan assay


J Med Chem 57: 8111-31 (2014)


Article DOI: 10.1021/jm5010539
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2B


(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 |r|
Show InChI InChI=1/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+/s2
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human ATAD2B by BROMOscan assay


J Med Chem 57: 8111-31 (2014)


Article DOI: 10.1021/jm5010539
More data for this
Ligand-Target Pair
ATPase family AAA domain-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 |r|
Show InChI InChI=1/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+/s2
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human ATAD2 by BROMOscan assay


J Med Chem 57: 8111-31 (2014)


Article DOI: 10.1021/jm5010539
More data for this
Ligand-Target Pair
Transcription initiation factor TFIID subunit 1


(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 |r|
Show InChI InChI=1/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+/s2
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human TAF1 by BROMOscan assay


J Med Chem 57: 8111-31 (2014)


Article DOI: 10.1021/jm5010539
More data for this
Ligand-Target Pair
Bromodomain and WD repeat-containing protein 1


(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 |r|
Show InChI InChI=1/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+/s2
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human WDR9 bromodomain 2 by BROMOscan assay


J Med Chem 57: 8111-31 (2014)


Article DOI: 10.1021/jm5010539
More data for this
Ligand-Target Pair
Transcription initiation factor TFIID subunit 1-like


(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 |r|
Show InChI InChI=1/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+/s2
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human TAF1L by BROMOscan assay


J Med Chem 57: 8111-31 (2014)


Article DOI: 10.1021/jm5010539
More data for this
Ligand-Target Pair
CREB-binding protein


(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 |r|
Show InChI InChI=1/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+/s2
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human CREBBP by BROMOscan assay


J Med Chem 57: 8111-31 (2014)


Article DOI: 10.1021/jm5010539
More data for this
Ligand-Target Pair
Cat eye syndrome critical region 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 |r|
Show InChI InChI=1/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+/s2
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human CECR2 by BROMOscan assay


J Med Chem 57: 8111-31 (2014)


Article DOI: 10.1021/jm5010539
More data for this
Ligand-Target Pair
Nucleosome-remodeling factor subunit BPTF


(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 |r|
Show InChI InChI=1/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+/s2
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human BPTF by BROMOscan assay


J Med Chem 57: 8111-31 (2014)


Article DOI: 10.1021/jm5010539
More data for this
Ligand-Target Pair
Protein polybromo-1


(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 |r|
Show InChI InChI=1/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+/s2
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human PBRM1 bromodomain 5 by BROMOscan assay


J Med Chem 57: 8111-31 (2014)


Article DOI: 10.1021/jm5010539
More data for this
Ligand-Target Pair
Bromodomain adjacent to zinc finger domain protein 2B


(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 |r|
Show InChI InChI=1/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+/s2
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of BAZ2B (unknown origin) by BROMOscan assay


J Med Chem 57: 8111-31 (2014)


Article DOI: 10.1021/jm5010539
More data for this
Ligand-Target Pair
Histone acetyltransferase p300


(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 |r|
Show InChI InChI=1/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+/s2
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human EP300 by BROMOscan assay


J Med Chem 57: 8111-31 (2014)


Article DOI: 10.1021/jm5010539
More data for this
Ligand-Target Pair
Bromodomain testis-specific protein


(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 |r|
Show InChI InChI=1/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+/s2
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human BRDT bromodomain 2 by BROMOscan assay


J Med Chem 57: 8111-31 (2014)


Article DOI: 10.1021/jm5010539
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 |r|
Show InChI InChI=1/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+/s2
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n/an/a<3.16E+4n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human BRD2 bromodomain 1 by BROMOscan assay


J Med Chem 57: 8111-31 (2014)


Article DOI: 10.1021/jm5010539
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(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 |r|
Show InChI InChI=1/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+/s2
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n/an/a 3.20E+4n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP3A4 expressed in Escherichia coli bactosomes using 7-benzloxyquinolone as substrate after 10 mins by fluorescence ...


J Med Chem 57: 8111-31 (2014)


Article DOI: 10.1021/jm5010539
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(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 |r|
Show InChI InChI=1/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+/s2
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n/an/a>3.30E+4n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CYP2D6 expressed in Escherichia coli bactosomes using 4-methylaminomethyl-7-methoyxycoumarin as substrate after 10 mi...


J Med Chem 57: 8111-31 (2014)


Article DOI: 10.1021/jm5010539
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(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 |r|
Show InChI InChI=1/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+/s2
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n/an/a>3.30E+4n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2 (unknown origin) expressed in Escherichia coli bactosomes using ethoxyresorufin as substrate after 10 mins by fluorescence assay


J Med Chem 57: 8111-31 (2014)


Article DOI: 10.1021/jm5010539
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50028128
PNG
(CHEMBL3353992)
Show SMILES C[C@H]1C[C@@H](Nc2ccccc2)c2cc(ccc2N1C(C)=O)-c1ccc(CN2CCCCC2)cc1 |r|
Show InChI InChI=1/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+/s2
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n/an/a>3.30E+4n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2 (unknown origin) expressed in Escherichia coli bactosomes using ethoxyresorufin as substrate after 10 mins by fluorescence assay


J Med Chem 57: 8111-31 (2014)


Article DOI: 10.1021/jm5010539
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50028104
PNG
(CHEMBL3353994)
Show SMILES C[C@H]1C[C@@H](N)c2cc(ccc2N1C(C)=O)-c1ccc(CN2CCCCC2)cc1 |r|
Show InChI InChI=1/C24H31N3O/c1-17-14-23(25)22-15-21(10-11-24(22)27(17)18(2)28)20-8-6-19(7-9-20)16-26-12-4-3-5-13-26/h6-11,15,17,23H,3-5,12-14,16,25H2,1-2H3/t17-,23+/s2
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n/an/a 5.01E+4n/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
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 |r|
Show InChI InChI=1/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+/s2
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n/an/an/a 25n/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Binding affinity to His6-tagged BRD2 (1 to 473 aa) (unknown origin) by SPR method


J Med Chem 57: 8111-31 (2014)


Article DOI: 10.1021/jm5010539
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 |r|
Show InChI InChI=1/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+/s2
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n/an/an/a 20n/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Binding affinity to His6-tagged BRD3 (1 to 475 aa) (unknown origin) by SPR method


J Med Chem 57: 8111-31 (2014)


Article DOI: 10.1021/jm5010539
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 |r|
Show InChI InChI=1/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+/s2
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n/an/an/a 23n/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Binding affinity to His6-tagged BRD4 (1 to 477 aa) (unknown origin) by SPR method


J Med Chem 57: 8111-31 (2014)


Article DOI: 10.1021/jm5010539
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CREB-binding protein


(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 |r|
Show InChI InChI=1/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+/s2
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n/an/an/a 6.30E+3n/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Binding affinity to CREBBP (unknown origin) by ITC method


J Med Chem 57: 8111-31 (2014)


Article DOI: 10.1021/jm5010539
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 |r|
Show InChI InChI=1/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+/s2
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n/an/an/a 4.40n/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Binding affinity to His6-tagged BRD4 (1 to 477 aa) (unknown origin) by ITC method


J Med Chem 57: 8111-31 (2014)


Article DOI: 10.1021/jm5010539
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
* indicates data uncertainty>20%