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Compile Data Set for Download or QSAR

Found 375 hits with Last Name = 'pineau' and Initial = 'o'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50441159
PNG
(CHEMBL2430882)
Show SMILES COC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12 |r,t:6|
Show InChI InChI=1S/C21H19ClN4O3/c1-12-24-25-21-17(11-19(27)29-3)23-20(13-4-6-14(22)7-5-13)16-10-15(28-2)8-9-18(16)26(12)21/h4-10,17H,11H2,1-3H3/t17-/m0/s1
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n/an/a 251n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Binding affinity to His6-tagged BRD4 (unknown origin) after 60 mins by fluorescence anisotropy binding Assay


J Med Chem 56: 7501-15 (2013)


Article DOI: 10.1021/jm401088k
BindingDB Entry DOI: 10.7270/Q2SX6FN7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50441168
PNG
(CHEMBL2430873)
Show SMILES CCOC(=O)N[C@@H]1N=C(c2ccccc2)c2ccccc2-n2c(C)nnc12 |r,t:7|
Show InChI InChI=1S/C20H19N5O2/c1-3-27-20(26)22-18-19-24-23-13(2)25(19)16-12-8-7-11-15(16)17(21-18)14-9-5-4-6-10-14/h4-12,18H,3H2,1-2H3,(H,22,26)/t18-/m0/s1
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n/an/a 398n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Binding affinity to His6-tagged BRD4 (unknown origin) after 60 mins by fluorescence anisotropy binding Assay


J Med Chem 56: 7501-15 (2013)


Article DOI: 10.1021/jm401088k
BindingDB Entry DOI: 10.7270/Q2SX6FN7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50441165
PNG
(CHEMBL2430876)
Show SMILES COc1ccc-2c(c1)C(=N[C@@H](CC(=O)Nc1cccs1)c1nnc(C)n-21)c1ccc(Cl)cc1 |r,c:9|
Show InChI InChI=1S/C24H20ClN5O2S/c1-14-28-29-24-19(13-21(31)27-22-4-3-11-33-22)26-23(15-5-7-16(25)8-6-15)18-12-17(32-2)9-10-20(18)30(14)24/h3-12,19H,13H2,1-2H3,(H,27,31)/t19-/m0/s1
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Binding affinity to His6-tagged BRD4 (unknown origin) after 60 mins by fluorescence anisotropy binding Assay


J Med Chem 56: 7501-15 (2013)


Article DOI: 10.1021/jm401088k
BindingDB Entry DOI: 10.7270/Q2SX6FN7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50441164
PNG
(CHEMBL2430877)
Show SMILES COc1ccc-2c(c1)C(=N[C@@H](CC(=O)Nc1ccccn1)c1nnc(C)n-21)c1ccc(Cl)cc1 |r,c:9|
Show InChI InChI=1S/C25H21ClN6O2/c1-15-30-31-25-20(14-23(33)29-22-5-3-4-12-27-22)28-24(16-6-8-17(26)9-7-16)19-13-18(34-2)10-11-21(19)32(15)25/h3-13,20H,14H2,1-2H3,(H,27,29,33)/t20-/m0/s1
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n/an/a 398n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Binding affinity to His6-tagged BRD4 (unknown origin) after 60 mins by fluorescence anisotropy binding Assay


J Med Chem 56: 7501-15 (2013)


Article DOI: 10.1021/jm401088k
BindingDB Entry DOI: 10.7270/Q2SX6FN7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50441158
PNG
(CHEMBL2430883)
Show SMILES CCCCOC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12 |r,t:9|
Show InChI InChI=1S/C24H25ClN4O3/c1-4-5-12-32-22(30)14-20-24-28-27-15(2)29(24)21-11-10-18(31-3)13-19(21)23(26-20)16-6-8-17(25)9-7-16/h6-11,13,20H,4-5,12,14H2,1-3H3/t20-/m0/s1
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Binding affinity to His6-tagged BRD4 (unknown origin) after 60 mins by fluorescence anisotropy binding Assay


J Med Chem 56: 7501-15 (2013)


Article DOI: 10.1021/jm401088k
BindingDB Entry DOI: 10.7270/Q2SX6FN7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50441168
PNG
(CHEMBL2430873)
Show SMILES CCOC(=O)N[C@@H]1N=C(c2ccccc2)c2ccccc2-n2c(C)nnc12 |r,t:7|
Show InChI InChI=1S/C20H19N5O2/c1-3-27-20(26)22-18-19-24-23-13(2)25(19)16-12-8-7-11-15(16)17(21-18)14-9-5-4-6-10-14/h4-12,18H,3H2,1-2H3,(H,22,26)/t18-/m0/s1
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Binding affinity to His6-tagged BRD3 (unknown origin) after 60 mins by fluorescence anisotropy binding Assay


J Med Chem 56: 7501-15 (2013)


Article DOI: 10.1021/jm401088k
BindingDB Entry DOI: 10.7270/Q2SX6FN7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50365264
PNG
(CHEMBL1738926)
Show SMILES Cc1nnc2[C@H](NC(=O)OCc3ccccc3)N=C(c3ccccc3)c3ccccc3-n12 |r,t:18|
Show InChI InChI=1S/C25H21N5O2/c1-17-28-29-24-23(27-25(31)32-16-18-10-4-2-5-11-18)26-22(19-12-6-3-7-13-19)20-14-8-9-15-21(20)30(17)24/h2-15,23H,16H2,1H3,(H,27,31)/t23-/m0/s1
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n/an/a 501n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Binding affinity to His6-tagged BRD4 (unknown origin) after 60 mins by fluorescence anisotropy binding Assay


J Med Chem 56: 7501-15 (2013)


Article DOI: 10.1021/jm401088k
BindingDB Entry DOI: 10.7270/Q2SX6FN7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50441176
PNG
(CHEMBL2430892)
Show SMILES COc1ccc-2c(c1)C(=NC(NC(=O)OCc1ccccc1)c1nnc(C)n-21)c1ccccc1 |c:9|
Show InChI InChI=1S/C26H23N5O3/c1-17-29-30-25-24(28-26(32)34-16-18-9-5-3-6-10-18)27-23(19-11-7-4-8-12-19)21-15-20(33-2)13-14-22(21)31(17)25/h3-15,24H,16H2,1-2H3,(H,28,32)
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Binding affinity to His6-tagged BRD4 (unknown origin) after 60 mins by fluorescence anisotropy binding Assay


J Med Chem 56: 7501-15 (2013)


Article DOI: 10.1021/jm401088k
BindingDB Entry DOI: 10.7270/Q2SX6FN7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50441171
PNG
(CHEMBL2430869)
Show SMILES Cc1nnc2C(NC(=O)OCc3ccc(F)cc3)N=C(c3ccccc3)c3ccccc3-n12 |t:19|
Show InChI InChI=1S/C25H20FN5O2/c1-16-29-30-24-23(28-25(32)33-15-17-11-13-19(26)14-12-17)27-22(18-7-3-2-4-8-18)20-9-5-6-10-21(20)31(16)24/h2-14,23H,15H2,1H3,(H,28,32)
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Binding affinity to His6-tagged BRD4 (unknown origin) after 60 mins by fluorescence anisotropy binding Assay


J Med Chem 56: 7501-15 (2013)


Article DOI: 10.1021/jm401088k
BindingDB Entry DOI: 10.7270/Q2SX6FN7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50441166
PNG
(CHEMBL2430875)
Show SMILES COc1ccc-2c(c1)C(=N[C@@H](CC(=O)Nc1ccc(F)cc1)c1nnc(C)n-21)c1ccc(Cl)cc1 |r,c:9|
Show InChI InChI=1S/C26H21ClFN5O2/c1-15-31-32-26-22(14-24(34)29-19-9-7-18(28)8-10-19)30-25(16-3-5-17(27)6-4-16)21-13-20(35-2)11-12-23(21)33(15)26/h3-13,22H,14H2,1-2H3,(H,29,34)/t22-/m0/s1
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Binding affinity to His6-tagged BRD4 (unknown origin) after 60 mins by fluorescence anisotropy binding Assay


J Med Chem 56: 7501-15 (2013)


Article DOI: 10.1021/jm401088k
BindingDB Entry DOI: 10.7270/Q2SX6FN7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50441163
PNG
(CHEMBL2430878)
Show SMILES COc1ccc-2c(c1)C(=N[C@@H](CC(=O)Nc1cccnc1)c1nnc(C)n-21)c1ccc(Cl)cc1 |r,c:9|
Show InChI InChI=1S/C25H21ClN6O2/c1-15-30-31-25-21(13-23(33)28-18-4-3-11-27-14-18)29-24(16-5-7-17(26)8-6-16)20-12-19(34-2)9-10-22(20)32(15)25/h3-12,14,21H,13H2,1-2H3,(H,28,33)/t21-/m0/s1
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Binding affinity to His6-tagged BRD4 (unknown origin) after 60 mins by fluorescence anisotropy binding Assay


J Med Chem 56: 7501-15 (2013)


Article DOI: 10.1021/jm401088k
BindingDB Entry DOI: 10.7270/Q2SX6FN7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50441162
PNG
(CHEMBL2430879)
Show SMILES COc1ccc-2c(c1)C(=N[C@@H](CC(=O)NCC1CC1)c1nnc(C)n-21)c1ccc(Cl)cc1 |r,c:9|
Show InChI InChI=1S/C24H24ClN5O2/c1-14-28-29-24-20(12-22(31)26-13-15-3-4-15)27-23(16-5-7-17(25)8-6-16)19-11-18(32-2)9-10-21(19)30(14)24/h5-11,15,20H,3-4,12-13H2,1-2H3,(H,26,31)/t20-/m0/s1
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Binding affinity to His6-tagged BRD4 (unknown origin) after 60 mins by fluorescence anisotropy binding Assay


J Med Chem 56: 7501-15 (2013)


Article DOI: 10.1021/jm401088k
BindingDB Entry DOI: 10.7270/Q2SX6FN7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50365463
PNG
(CHEMBL1232461)
Show SMILES CCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12 |r,t:7|
Show InChI InChI=1S/C22H22ClN5O2/c1-4-24-20(29)12-18-22-27-26-13(2)28(22)19-10-9-16(30-3)11-17(19)21(25-18)14-5-7-15(23)8-6-14/h5-11,18H,4,12H2,1-3H3,(H,24,29)/t18-/m0/s1
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n/an/a 631n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Binding affinity to His6-tagged BRD4 (unknown origin) after 60 mins by fluorescence anisotropy binding Assay


J Med Chem 56: 7501-15 (2013)


Article DOI: 10.1021/jm401088k
BindingDB Entry DOI: 10.7270/Q2SX6FN7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50365264
PNG
(CHEMBL1738926)
Show SMILES Cc1nnc2[C@H](NC(=O)OCc3ccccc3)N=C(c3ccccc3)c3ccccc3-n12 |r,t:18|
Show InChI InChI=1S/C25H21N5O2/c1-17-28-29-24-23(27-25(31)32-16-18-10-4-2-5-11-18)26-22(19-12-6-3-7-13-19)20-14-8-9-15-21(20)30(17)24/h2-15,23H,16H2,1H3,(H,27,31)/t23-/m0/s1
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Binding affinity to His6-tagged BRD3 (unknown origin) after 60 mins by fluorescence anisotropy binding Assay


J Med Chem 56: 7501-15 (2013)


Article DOI: 10.1021/jm401088k
BindingDB Entry DOI: 10.7270/Q2SX6FN7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50441176
PNG
(CHEMBL2430892)
Show SMILES COc1ccc-2c(c1)C(=NC(NC(=O)OCc1ccccc1)c1nnc(C)n-21)c1ccccc1 |c:9|
Show InChI InChI=1S/C26H23N5O3/c1-17-29-30-25-24(28-26(32)34-16-18-9-5-3-6-10-18)27-23(19-11-7-4-8-12-19)21-15-20(33-2)13-14-22(21)31(17)25/h3-15,24H,16H2,1-2H3,(H,28,32)
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Binding affinity to His6-tagged BRD2 (unknown origin) after 60 mins by fluorescence anisotropy binding Assay


J Med Chem 56: 7501-15 (2013)


Article DOI: 10.1021/jm401088k
BindingDB Entry DOI: 10.7270/Q2SX6FN7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50441182
PNG
(CHEMBL2430886)
Show SMILES Cc1nnc2C(NC(=O)NCc3ccccc3)N=C(c3ccccc3)c3ccccc3-n12 |t:18|
Show InChI InChI=1S/C25H22N6O/c1-17-29-30-24-23(28-25(32)26-16-18-10-4-2-5-11-18)27-22(19-12-6-3-7-13-19)20-14-8-9-15-21(20)31(17)24/h2-15,23H,16H2,1H3,(H2,26,28,32)
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Binding affinity to His6-tagged BRD3 (unknown origin) after 60 mins by fluorescence anisotropy binding Assay


J Med Chem 56: 7501-15 (2013)


Article DOI: 10.1021/jm401088k
BindingDB Entry DOI: 10.7270/Q2SX6FN7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50441176
PNG
(CHEMBL2430892)
Show SMILES COc1ccc-2c(c1)C(=NC(NC(=O)OCc1ccccc1)c1nnc(C)n-21)c1ccccc1 |c:9|
Show InChI InChI=1S/C26H23N5O3/c1-17-29-30-25-24(28-26(32)34-16-18-9-5-3-6-10-18)27-23(19-11-7-4-8-12-19)21-15-20(33-2)13-14-22(21)31(17)25/h3-15,24H,16H2,1-2H3,(H,28,32)
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Binding affinity to His6-tagged BRD3 (unknown origin) after 60 mins by fluorescence anisotropy binding Assay


J Med Chem 56: 7501-15 (2013)


Article DOI: 10.1021/jm401088k
BindingDB Entry DOI: 10.7270/Q2SX6FN7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50441168
PNG
(CHEMBL2430873)
Show SMILES CCOC(=O)N[C@@H]1N=C(c2ccccc2)c2ccccc2-n2c(C)nnc12 |r,t:7|
Show InChI InChI=1S/C20H19N5O2/c1-3-27-20(26)22-18-19-24-23-13(2)25(19)16-12-8-7-11-15(16)17(21-18)14-9-5-4-6-10-14/h4-12,18H,3H2,1-2H3,(H,22,26)/t18-/m0/s1
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Binding affinity to His6-tagged BRD4 (unknown origin) after 60 mins by fluorescence anisotropy binding Assay


J Med Chem 56: 7501-15 (2013)


Article DOI: 10.1021/jm401088k
BindingDB Entry DOI: 10.7270/Q2SX6FN7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50441167
PNG
(CHEMBL2430874)
Show SMILES CCOC(=O)NC1N=C(c2ccc(Cl)cc2)c2ccccc2-n2c(C)nnc12 |t:7|
Show InChI InChI=1S/C20H18ClN5O2/c1-3-28-20(27)23-18-19-25-24-12(2)26(19)16-7-5-4-6-15(16)17(22-18)13-8-10-14(21)11-9-13/h4-11,18H,3H2,1-2H3,(H,23,27)
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Binding affinity to His6-tagged BRD4 (unknown origin) after 60 mins by fluorescence anisotropy binding Assay


J Med Chem 56: 7501-15 (2013)


Article DOI: 10.1021/jm401088k
BindingDB Entry DOI: 10.7270/Q2SX6FN7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50441174
PNG
(CHEMBL2430894)
Show SMILES COc1cccc(c1)C1=NC(NC(=O)OCc2ccccc2)c2nnc(C)n2-c2ccccc12 |t:9|
Show InChI InChI=1S/C26H23N5O3/c1-17-29-30-25-24(28-26(32)34-16-18-9-4-3-5-10-18)27-23(19-11-8-12-20(15-19)33-2)21-13-6-7-14-22(21)31(17)25/h3-15,24H,16H2,1-2H3,(H,28,32)
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Binding affinity to His6-tagged BRD3 (unknown origin) after 60 mins by fluorescence anisotropy binding Assay


J Med Chem 56: 7501-15 (2013)


Article DOI: 10.1021/jm401088k
BindingDB Entry DOI: 10.7270/Q2SX6FN7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50441168
PNG
(CHEMBL2430873)
Show SMILES CCOC(=O)N[C@@H]1N=C(c2ccccc2)c2ccccc2-n2c(C)nnc12 |r,t:7|
Show InChI InChI=1S/C20H19N5O2/c1-3-27-20(26)22-18-19-24-23-13(2)25(19)16-12-8-7-11-15(16)17(21-18)14-9-5-4-6-10-14/h4-12,18H,3H2,1-2H3,(H,22,26)/t18-/m0/s1
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Binding affinity to His6-tagged BRD3 (unknown origin) after 60 mins by fluorescence anisotropy binding Assay


J Med Chem 56: 7501-15 (2013)


Article DOI: 10.1021/jm401088k
BindingDB Entry DOI: 10.7270/Q2SX6FN7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50441173
PNG
(CHEMBL2430895)
Show SMILES COc1ccc(cc1)C1=NC(NC(=O)OCc2ccccc2)c2nnc(C)n2-c2ccccc12 |t:9|
Show InChI InChI=1S/C26H23N5O3/c1-17-29-30-25-24(28-26(32)34-16-18-8-4-3-5-9-18)27-23(19-12-14-20(33-2)15-13-19)21-10-6-7-11-22(21)31(17)25/h3-15,24H,16H2,1-2H3,(H,28,32)
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Binding affinity to His6-tagged BRD3 (unknown origin) after 60 mins by fluorescence anisotropy binding Assay


J Med Chem 56: 7501-15 (2013)


Article DOI: 10.1021/jm401088k
BindingDB Entry DOI: 10.7270/Q2SX6FN7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50441174
PNG
(CHEMBL2430894)
Show SMILES COc1cccc(c1)C1=NC(NC(=O)OCc2ccccc2)c2nnc(C)n2-c2ccccc12 |t:9|
Show InChI InChI=1S/C26H23N5O3/c1-17-29-30-25-24(28-26(32)34-16-18-9-4-3-5-10-18)27-23(19-11-8-12-20(15-19)33-2)21-13-6-7-14-22(21)31(17)25/h3-15,24H,16H2,1-2H3,(H,28,32)
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Binding affinity to His6-tagged BRD4 (unknown origin) after 60 mins by fluorescence anisotropy binding Assay


J Med Chem 56: 7501-15 (2013)


Article DOI: 10.1021/jm401088k
BindingDB Entry DOI: 10.7270/Q2SX6FN7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50441171
PNG
(CHEMBL2430869)
Show SMILES Cc1nnc2C(NC(=O)OCc3ccc(F)cc3)N=C(c3ccccc3)c3ccccc3-n12 |t:19|
Show InChI InChI=1S/C25H20FN5O2/c1-16-29-30-24-23(28-25(32)33-15-17-11-13-19(26)14-12-17)27-22(18-7-3-2-4-8-18)20-9-5-6-10-21(20)31(16)24/h2-14,23H,15H2,1H3,(H,28,32)
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Binding affinity to His6-tagged BRD3 (unknown origin) after 60 mins by fluorescence anisotropy binding Assay


J Med Chem 56: 7501-15 (2013)


Article DOI: 10.1021/jm401088k
BindingDB Entry DOI: 10.7270/Q2SX6FN7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50441172
PNG
(CHEMBL2430896)
Show SMILES Cc1nnc2C(NC(=O)OCc3ccccc3)N=C(c3ccc(C)cc3)c3ccccc3-n12 |t:18|
Show InChI InChI=1S/C26H23N5O2/c1-17-12-14-20(15-13-17)23-21-10-6-7-11-22(21)31-18(2)29-30-25(31)24(27-23)28-26(32)33-16-19-8-4-3-5-9-19/h3-15,24H,16H2,1-2H3,(H,28,32)
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Binding affinity to His6-tagged BRD3 (unknown origin) after 60 mins by fluorescence anisotropy binding Assay


J Med Chem 56: 7501-15 (2013)


Article DOI: 10.1021/jm401088k
BindingDB Entry DOI: 10.7270/Q2SX6FN7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50441167
PNG
(CHEMBL2430874)
Show SMILES CCOC(=O)NC1N=C(c2ccc(Cl)cc2)c2ccccc2-n2c(C)nnc12 |t:7|
Show InChI InChI=1S/C20H18ClN5O2/c1-3-28-20(27)23-18-19-25-24-12(2)26(19)16-7-5-4-6-15(16)17(22-18)13-8-10-14(21)11-9-13/h4-11,18H,3H2,1-2H3,(H,23,27)
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Binding affinity to His6-tagged BRD3 (unknown origin) after 60 mins by fluorescence anisotropy binding Assay


J Med Chem 56: 7501-15 (2013)


Article DOI: 10.1021/jm401088k
BindingDB Entry DOI: 10.7270/Q2SX6FN7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50441182
PNG
(CHEMBL2430886)
Show SMILES Cc1nnc2C(NC(=O)NCc3ccccc3)N=C(c3ccccc3)c3ccccc3-n12 |t:18|
Show InChI InChI=1S/C25H22N6O/c1-17-29-30-24-23(28-25(32)26-16-18-10-4-2-5-11-18)27-22(19-12-6-3-7-13-19)20-14-8-9-15-21(20)31(17)24/h2-15,23H,16H2,1H3,(H2,26,28,32)
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Binding affinity to His6-tagged BRD4 (unknown origin) after 60 mins by fluorescence anisotropy binding Assay


J Med Chem 56: 7501-15 (2013)


Article DOI: 10.1021/jm401088k
BindingDB Entry DOI: 10.7270/Q2SX6FN7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50441168
PNG
(CHEMBL2430873)
Show SMILES CCOC(=O)N[C@@H]1N=C(c2ccccc2)c2ccccc2-n2c(C)nnc12 |r,t:7|
Show InChI InChI=1S/C20H19N5O2/c1-3-27-20(26)22-18-19-24-23-13(2)25(19)16-12-8-7-11-15(16)17(21-18)14-9-5-4-6-10-14/h4-12,18H,3H2,1-2H3,(H,22,26)/t18-/m0/s1
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Binding affinity to His6-tagged BRD2 (unknown origin) after 60 mins by fluorescence anisotropy binding Assay


J Med Chem 56: 7501-15 (2013)


Article DOI: 10.1021/jm401088k
BindingDB Entry DOI: 10.7270/Q2SX6FN7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50441178
PNG
(CHEMBL2430890)
Show SMILES Cc1nnc2C(NC(=O)OCc3ccccc3)N=C(c3ccccc3)c3cc(Cl)ccc3-n12 |t:18|
Show InChI InChI=1S/C25H20ClN5O2/c1-16-29-30-24-23(28-25(32)33-15-17-8-4-2-5-9-17)27-22(18-10-6-3-7-11-18)20-14-19(26)12-13-21(20)31(16)24/h2-14,23H,15H2,1H3,(H,28,32)
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Binding affinity to His6-tagged BRD4 (unknown origin) after 60 mins by fluorescence anisotropy binding Assay


J Med Chem 56: 7501-15 (2013)


Article DOI: 10.1021/jm401088k
BindingDB Entry DOI: 10.7270/Q2SX6FN7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50441173
PNG
(CHEMBL2430895)
Show SMILES COc1ccc(cc1)C1=NC(NC(=O)OCc2ccccc2)c2nnc(C)n2-c2ccccc12 |t:9|
Show InChI InChI=1S/C26H23N5O3/c1-17-29-30-25-24(28-26(32)34-16-18-8-4-3-5-9-18)27-23(19-12-14-20(33-2)15-13-19)21-10-6-7-11-22(21)31(17)25/h3-15,24H,16H2,1-2H3,(H,28,32)
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Binding affinity to His6-tagged BRD4 (unknown origin) after 60 mins by fluorescence anisotropy binding Assay


J Med Chem 56: 7501-15 (2013)


Article DOI: 10.1021/jm401088k
BindingDB Entry DOI: 10.7270/Q2SX6FN7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50441172
PNG
(CHEMBL2430896)
Show SMILES Cc1nnc2C(NC(=O)OCc3ccccc3)N=C(c3ccc(C)cc3)c3ccccc3-n12 |t:18|
Show InChI InChI=1S/C26H23N5O2/c1-17-12-14-20(15-13-17)23-21-10-6-7-11-22(21)31-18(2)29-30-25(31)24(27-23)28-26(32)33-16-19-8-4-3-5-9-19/h3-15,24H,16H2,1-2H3,(H,28,32)
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Binding affinity to His6-tagged BRD4 (unknown origin) after 60 mins by fluorescence anisotropy binding Assay


J Med Chem 56: 7501-15 (2013)


Article DOI: 10.1021/jm401088k
BindingDB Entry DOI: 10.7270/Q2SX6FN7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50441161
PNG
(CHEMBL2430880)
Show SMILES CCNC(=O)C[C@@H]1N=C(c2cccc(F)c2)c2cc(OC)ccc2-n2c(C)nnc12 |r,t:7|
Show InChI InChI=1S/C22H22FN5O2/c1-4-24-20(29)12-18-22-27-26-13(2)28(22)19-9-8-16(30-3)11-17(19)21(25-18)14-6-5-7-15(23)10-14/h5-11,18H,4,12H2,1-3H3,(H,24,29)/t18-/m0/s1
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Binding affinity to His6-tagged BRD4 (unknown origin) after 60 mins by fluorescence anisotropy binding Assay


J Med Chem 56: 7501-15 (2013)


Article DOI: 10.1021/jm401088k
BindingDB Entry DOI: 10.7270/Q2SX6FN7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50365264
PNG
(CHEMBL1738926)
Show SMILES Cc1nnc2[C@H](NC(=O)OCc3ccccc3)N=C(c3ccccc3)c3ccccc3-n12 |r,t:18|
Show InChI InChI=1S/C25H21N5O2/c1-17-28-29-24-23(27-25(31)32-16-18-10-4-2-5-11-18)26-22(19-12-6-3-7-13-19)20-14-8-9-15-21(20)30(17)24/h2-15,23H,16H2,1H3,(H,27,31)/t23-/m0/s1
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Binding affinity to His6-tagged BRD2 (unknown origin) after 60 mins by fluorescence anisotropy binding Assay


J Med Chem 56: 7501-15 (2013)


Article DOI: 10.1021/jm401088k
BindingDB Entry DOI: 10.7270/Q2SX6FN7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50441177
PNG
(CHEMBL2430891)
Show SMILES Cc1nnc2C(NC(=O)OCc3ccccc3)N=C(c3ccccc3)c3ccc(C)cc3-n12 |t:18|
Show InChI InChI=1S/C26H23N5O2/c1-17-13-14-21-22(15-17)31-18(2)29-30-25(31)24(27-23(21)20-11-7-4-8-12-20)28-26(32)33-16-19-9-5-3-6-10-19/h3-15,24H,16H2,1-2H3,(H,28,32)
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Binding affinity to His6-tagged BRD3 (unknown origin) after 60 mins by fluorescence anisotropy binding Assay


J Med Chem 56: 7501-15 (2013)


Article DOI: 10.1021/jm401088k
BindingDB Entry DOI: 10.7270/Q2SX6FN7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50441170
PNG
(CHEMBL2430870)
Show SMILES Cc1nnc2C(NC(=O)Oc3cccc(F)c3)N=C(c3ccccc3)c3ccccc3-n12 |t:18|
Show InChI InChI=1S/C24H18FN5O2/c1-15-28-29-23-22(27-24(31)32-18-11-7-10-17(25)14-18)26-21(16-8-3-2-4-9-16)19-12-5-6-13-20(19)30(15)23/h2-14,22H,1H3,(H,27,31)
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Binding affinity to His6-tagged BRD3 (unknown origin) after 60 mins by fluorescence anisotropy binding Assay


J Med Chem 56: 7501-15 (2013)


Article DOI: 10.1021/jm401088k
BindingDB Entry DOI: 10.7270/Q2SX6FN7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50441172
PNG
(CHEMBL2430896)
Show SMILES Cc1nnc2C(NC(=O)OCc3ccccc3)N=C(c3ccc(C)cc3)c3ccccc3-n12 |t:18|
Show InChI InChI=1S/C26H23N5O2/c1-17-12-14-20(15-13-17)23-21-10-6-7-11-22(21)31-18(2)29-30-25(31)24(27-23)28-26(32)33-16-19-8-4-3-5-9-19/h3-15,24H,16H2,1-2H3,(H,28,32)
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Binding affinity to His6-tagged BRD2 (unknown origin) after 60 mins by fluorescence anisotropy binding Assay


J Med Chem 56: 7501-15 (2013)


Article DOI: 10.1021/jm401088k
BindingDB Entry DOI: 10.7270/Q2SX6FN7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50441170
PNG
(CHEMBL2430870)
Show SMILES Cc1nnc2C(NC(=O)Oc3cccc(F)c3)N=C(c3ccccc3)c3ccccc3-n12 |t:18|
Show InChI InChI=1S/C24H18FN5O2/c1-15-28-29-23-22(27-24(31)32-18-11-7-10-17(25)14-18)26-21(16-8-3-2-4-9-16)19-12-5-6-13-20(19)30(15)23/h2-14,22H,1H3,(H,27,31)
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Binding affinity to His6-tagged BRD4 (unknown origin) after 60 mins by fluorescence anisotropy binding Assay


J Med Chem 56: 7501-15 (2013)


Article DOI: 10.1021/jm401088k
BindingDB Entry DOI: 10.7270/Q2SX6FN7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50441178
PNG
(CHEMBL2430890)
Show SMILES Cc1nnc2C(NC(=O)OCc3ccccc3)N=C(c3ccccc3)c3cc(Cl)ccc3-n12 |t:18|
Show InChI InChI=1S/C25H20ClN5O2/c1-16-29-30-24-23(28-25(32)33-15-17-8-4-2-5-9-17)27-22(18-10-6-3-7-11-18)20-14-19(26)12-13-21(20)31(16)24/h2-14,23H,15H2,1H3,(H,28,32)
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Binding affinity to His6-tagged BRD3 (unknown origin) after 60 mins by fluorescence anisotropy binding Assay


J Med Chem 56: 7501-15 (2013)


Article DOI: 10.1021/jm401088k
BindingDB Entry DOI: 10.7270/Q2SX6FN7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50441177
PNG
(CHEMBL2430891)
Show SMILES Cc1nnc2C(NC(=O)OCc3ccccc3)N=C(c3ccccc3)c3ccc(C)cc3-n12 |t:18|
Show InChI InChI=1S/C26H23N5O2/c1-17-13-14-21-22(15-17)31-18(2)29-30-25(31)24(27-23(21)20-11-7-4-8-12-20)28-26(32)33-16-19-9-5-3-6-10-19/h3-15,24H,16H2,1-2H3,(H,28,32)
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n/an/a 1.59E+3n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Binding affinity to His6-tagged BRD4 (unknown origin) after 60 mins by fluorescence anisotropy binding Assay


J Med Chem 56: 7501-15 (2013)


Article DOI: 10.1021/jm401088k
BindingDB Entry DOI: 10.7270/Q2SX6FN7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50441180
PNG
(CHEMBL2430888)
Show SMILES Cc1nnc2C(CC(=O)NCc3ccccc3)N=C(c3ccccc3)c3ccccc3-n12 |t:18|
Show InChI InChI=1S/C26H23N5O/c1-18-29-30-26-22(16-24(32)27-17-19-10-4-2-5-11-19)28-25(20-12-6-3-7-13-20)21-14-8-9-15-23(21)31(18)26/h2-15,22H,16-17H2,1H3,(H,27,32)
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Binding affinity to His6-tagged BRD3 (unknown origin) after 60 mins by fluorescence anisotropy binding Assay


J Med Chem 56: 7501-15 (2013)


Article DOI: 10.1021/jm401088k
BindingDB Entry DOI: 10.7270/Q2SX6FN7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50441182
PNG
(CHEMBL2430886)
Show SMILES Cc1nnc2C(NC(=O)NCc3ccccc3)N=C(c3ccccc3)c3ccccc3-n12 |t:18|
Show InChI InChI=1S/C25H22N6O/c1-17-29-30-24-23(28-25(32)26-16-18-10-4-2-5-11-18)27-22(19-12-6-3-7-13-19)20-14-8-9-15-21(20)31(17)24/h2-15,23H,16H2,1H3,(H2,26,28,32)
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Binding affinity to His6-tagged BRD2 (unknown origin) after 60 mins by fluorescence anisotropy binding Assay


J Med Chem 56: 7501-15 (2013)


Article DOI: 10.1021/jm401088k
BindingDB Entry DOI: 10.7270/Q2SX6FN7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50441171
PNG
(CHEMBL2430869)
Show SMILES Cc1nnc2C(NC(=O)OCc3ccc(F)cc3)N=C(c3ccccc3)c3ccccc3-n12 |t:19|
Show InChI InChI=1S/C25H20FN5O2/c1-16-29-30-24-23(28-25(32)33-15-17-11-13-19(26)14-12-17)27-22(18-7-3-2-4-8-18)20-9-5-6-10-21(20)31(16)24/h2-14,23H,15H2,1H3,(H,28,32)
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Binding affinity to His6-tagged BRD2 (unknown origin) after 60 mins by fluorescence anisotropy binding Assay


J Med Chem 56: 7501-15 (2013)


Article DOI: 10.1021/jm401088k
BindingDB Entry DOI: 10.7270/Q2SX6FN7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50441173
PNG
(CHEMBL2430895)
Show SMILES COc1ccc(cc1)C1=NC(NC(=O)OCc2ccccc2)c2nnc(C)n2-c2ccccc12 |t:9|
Show InChI InChI=1S/C26H23N5O3/c1-17-29-30-25-24(28-26(32)34-16-18-8-4-3-5-9-18)27-23(19-12-14-20(33-2)15-13-19)21-10-6-7-11-22(21)31(17)25/h3-15,24H,16H2,1-2H3,(H,28,32)
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Binding affinity to His6-tagged BRD2 (unknown origin) after 60 mins by fluorescence anisotropy binding Assay


J Med Chem 56: 7501-15 (2013)


Article DOI: 10.1021/jm401088k
BindingDB Entry DOI: 10.7270/Q2SX6FN7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50365265
PNG
(CHEMBL1958347)
Show SMILES CCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2ccc(OC)cc2-n2c(C)nnc12 |r,t:7|
Show InChI InChI=1S/C22H22ClN5O2/c1-4-24-20(29)12-18-22-27-26-13(2)28(22)19-11-16(30-3)9-10-17(19)21(25-18)14-5-7-15(23)8-6-14/h5-11,18H,4,12H2,1-3H3,(H,24,29)/t18-/m0/s1
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Binding affinity to His6-tagged BRD4 (unknown origin) after 60 mins by fluorescence anisotropy binding Assay


J Med Chem 56: 7501-15 (2013)


Article DOI: 10.1021/jm401088k
BindingDB Entry DOI: 10.7270/Q2SX6FN7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50441180
PNG
(CHEMBL2430888)
Show SMILES Cc1nnc2C(CC(=O)NCc3ccccc3)N=C(c3ccccc3)c3ccccc3-n12 |t:18|
Show InChI InChI=1S/C26H23N5O/c1-18-29-30-26-22(16-24(32)27-17-19-10-4-2-5-11-19)28-25(20-12-6-3-7-13-20)21-14-8-9-15-23(21)31(18)26/h2-15,22H,16-17H2,1H3,(H,27,32)
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Binding affinity to His6-tagged BRD2 (unknown origin) after 60 mins by fluorescence anisotropy binding Assay


J Med Chem 56: 7501-15 (2013)


Article DOI: 10.1021/jm401088k
BindingDB Entry DOI: 10.7270/Q2SX6FN7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50441177
PNG
(CHEMBL2430891)
Show SMILES Cc1nnc2C(NC(=O)OCc3ccccc3)N=C(c3ccccc3)c3ccc(C)cc3-n12 |t:18|
Show InChI InChI=1S/C26H23N5O2/c1-17-13-14-21-22(15-17)31-18(2)29-30-25(31)24(27-23(21)20-11-7-4-8-12-20)28-26(32)33-16-19-9-5-3-6-10-19/h3-15,24H,16H2,1-2H3,(H,28,32)
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Binding affinity to His6-tagged BRD2 (unknown origin) after 60 mins by fluorescence anisotropy binding Assay


J Med Chem 56: 7501-15 (2013)


Article DOI: 10.1021/jm401088k
BindingDB Entry DOI: 10.7270/Q2SX6FN7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50441168
PNG
(CHEMBL2430873)
Show SMILES CCOC(=O)N[C@@H]1N=C(c2ccccc2)c2ccccc2-n2c(C)nnc12 |r,t:7|
Show InChI InChI=1S/C20H19N5O2/c1-3-27-20(26)22-18-19-24-23-13(2)25(19)16-12-8-7-11-15(16)17(21-18)14-9-5-4-6-10-14/h4-12,18H,3H2,1-2H3,(H,22,26)/t18-/m0/s1
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Binding affinity to His6-tagged BRD2 (unknown origin) after 60 mins by fluorescence anisotropy binding Assay


J Med Chem 56: 7501-15 (2013)


Article DOI: 10.1021/jm401088k
BindingDB Entry DOI: 10.7270/Q2SX6FN7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50441167
PNG
(CHEMBL2430874)
Show SMILES CCOC(=O)NC1N=C(c2ccc(Cl)cc2)c2ccccc2-n2c(C)nnc12 |t:7|
Show InChI InChI=1S/C20H18ClN5O2/c1-3-28-20(27)23-18-19-25-24-12(2)26(19)16-7-5-4-6-15(16)17(22-18)13-8-10-14(21)11-9-13/h4-11,18H,3H2,1-2H3,(H,23,27)
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Binding affinity to His6-tagged BRD2 (unknown origin) after 60 mins by fluorescence anisotropy binding Assay


J Med Chem 56: 7501-15 (2013)


Article DOI: 10.1021/jm401088k
BindingDB Entry DOI: 10.7270/Q2SX6FN7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50441174
PNG
(CHEMBL2430894)
Show SMILES COc1cccc(c1)C1=NC(NC(=O)OCc2ccccc2)c2nnc(C)n2-c2ccccc12 |t:9|
Show InChI InChI=1S/C26H23N5O3/c1-17-29-30-25-24(28-26(32)34-16-18-9-4-3-5-10-18)27-23(19-11-8-12-20(15-19)33-2)21-13-6-7-14-22(21)31(17)25/h3-15,24H,16H2,1-2H3,(H,28,32)
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Binding affinity to His6-tagged BRD2 (unknown origin) after 60 mins by fluorescence anisotropy binding Assay


J Med Chem 56: 7501-15 (2013)


Article DOI: 10.1021/jm401088k
BindingDB Entry DOI: 10.7270/Q2SX6FN7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50441178
PNG
(CHEMBL2430890)
Show SMILES Cc1nnc2C(NC(=O)OCc3ccccc3)N=C(c3ccccc3)c3cc(Cl)ccc3-n12 |t:18|
Show InChI InChI=1S/C25H20ClN5O2/c1-16-29-30-24-23(28-25(32)33-15-17-8-4-2-5-9-17)27-22(18-10-6-3-7-11-18)20-14-19(26)12-13-21(20)31(16)24/h2-14,23H,15H2,1H3,(H,28,32)
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Binding affinity to His6-tagged BRD2 (unknown origin) after 60 mins by fluorescence anisotropy binding Assay


J Med Chem 56: 7501-15 (2013)


Article DOI: 10.1021/jm401088k
BindingDB Entry DOI: 10.7270/Q2SX6FN7
More data for this
Ligand-Target Pair
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