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Compile Data Set for Download or QSAR

Found 99 hits Enz. Inhib. hit(s) with all data for entry = 50047169   
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))
BDBM50365463
PNG
(CHEMBL1232461)
Show SMILES CCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12
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 36n/an/an/an/an/an/a



Guangzhou Institutes of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged BRD4 bromodomain 2 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells by FRET assay


J Med Chem 59: 1565-79 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01511
BindingDB Entry DOI: 10.7270/Q2N87CPF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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
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 36n/an/an/an/an/an/a



Guangzhou Institutes of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells by FRET assay


J Med Chem 59: 1565-79 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01511
BindingDB Entry DOI: 10.7270/Q2N87CPF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50365262
PNG
( (S)-JQ1 (1) | CHEMBL1957266 | JQ1 | US10124009, C...)
Show SMILES Cc1nnc2[C@H](CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H25ClN4O2S/c1-12-13(2)31-22-19(12)20(15-7-9-16(24)10-8-15)25-17(11-18(29)30-23(4,5)6)21-27-26-14(3)28(21)22/h7-10,17H,11H2,1-6H3/t17-/m0/s1
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n/an/a 77n/an/an/an/an/an/a



Guangzhou Institutes of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells using biotin-H4K5acK8acK12acK16ac as substr...


J Med Chem 59: 1565-79 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01511
BindingDB Entry DOI: 10.7270/Q2N87CPF
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50365262
PNG
( (S)-JQ1 (1) | CHEMBL1957266 | JQ1 | US10124009, C...)
Show SMILES Cc1nnc2[C@H](CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H25ClN4O2S/c1-12-13(2)31-22-19(12)20(15-7-9-16(24)10-8-15)25-17(11-18(29)30-23(4,5)6)21-27-26-14(3)28(21)22/h7-10,17H,11H2,1-6H3/t17-/m0/s1
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n/an/a 120n/an/an/an/an/an/a



Guangzhou Institutes of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of human His6-tagged BRD4 bromodomain 1 (N44 to E168 residues) expressed in Escherichia coli BL21(DE3) cells using biotin-H4KAc4 as substr...


J Med Chem 59: 1565-79 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01511
BindingDB Entry DOI: 10.7270/Q2N87CPF
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50155853
PNG
(CHEMBL3780059)
Show SMILES CCN1C(=O)c2cccc3c(NS(=O)(=O)c4ccc(F)cc4F)ccc1c23
Show InChI InChI=1S/C19H14F2N2O3S/c1-2-23-16-8-7-15(12-4-3-5-13(18(12)16)19(23)24)22-27(25,26)17-9-6-11(20)10-14(17)21/h3-10,22H,2H2,1H3
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n/an/a 120n/an/an/an/an/an/a



Guangzhou Institutes of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of human His6-tagged BRD4 bromodomain 1 (N44 to E168 residues) expressed in Escherichia coli BL21(DE3) cells using biotin-H4KAc4 as substr...


J Med Chem 59: 1565-79 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01511
BindingDB Entry DOI: 10.7270/Q2N87CPF
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50155936
PNG
(CHEMBL3781471)
Show SMILES CCN1C(=O)c2cccc3c(ccc1c23)S(=O)(=O)NC1CCCCC1
Show InChI InChI=1S/C19H22N2O3S/c1-2-21-16-11-12-17(14-9-6-10-15(18(14)16)19(21)22)25(23,24)20-13-7-4-3-5-8-13/h6,9-13,20H,2-5,7-8H2,1H3
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n/an/a 130n/an/an/an/an/an/a



Guangzhou Institutes of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of human His6-tagged BRD4 bromodomain 1 (N44 to E168 residues) expressed in Escherichia coli BL21(DE3) cells using biotin-H4KAc4 as substr...


J Med Chem 59: 1565-79 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01511
BindingDB Entry DOI: 10.7270/Q2N87CPF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50155934
PNG
(CHEMBL3780138)
Show SMILES CCN1C(=O)c2cccc3c(ccc1c23)S(=O)(=O)NC1CCCC1
Show InChI InChI=1S/C18H20N2O3S/c1-2-20-15-10-11-16(24(22,23)19-12-6-3-4-7-12)13-8-5-9-14(17(13)15)18(20)21/h5,8-12,19H,2-4,6-7H2,1H3
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n/an/a 210n/an/an/an/an/an/a



Guangzhou Institutes of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of human His6-tagged BRD4 bromodomain 1 (N44 to E168 residues) expressed in Escherichia coli BL21(DE3) cells using biotin-H4KAc4 as substr...


J Med Chem 59: 1565-79 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01511
BindingDB Entry DOI: 10.7270/Q2N87CPF
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50151927
PNG
(CHEMBL3781254)
Show SMILES CCN1C(=O)c2cccc3c(NS(=O)(=O)C4CCCCC4)ccc1c23
Show InChI InChI=1S/C19H22N2O3S/c1-2-21-17-12-11-16(14-9-6-10-15(18(14)17)19(21)22)20-25(23,24)13-7-4-3-5-8-13/h6,9-13,20H,2-5,7-8H2,1H3
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n/an/a 210n/an/an/an/an/an/a



Guangzhou Institutes of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of human His6-tagged BRD4 bromodomain 1 (N44 to E168 residues) expressed in Escherichia coli BL21(DE3) cells using biotin-H4KAc4 as substr...


J Med Chem 59: 1565-79 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01511
BindingDB Entry DOI: 10.7270/Q2N87CPF
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50155847
PNG
(CHEMBL3781755)
Show SMILES CCN1C(=O)c2cccc3c(NS(=O)(=O)c4ccccc4)ccc1c23
Show InChI InChI=1S/C19H16N2O3S/c1-2-21-17-12-11-16(14-9-6-10-15(18(14)17)19(21)22)20-25(23,24)13-7-4-3-5-8-13/h3-12,20H,2H2,1H3
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n/an/a 300n/an/an/an/an/an/a



Guangzhou Institutes of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of human His6-tagged BRD4 bromodomain 1 (N44 to E168 residues) expressed in Escherichia coli BL21(DE3) cells using biotin-H4KAc4 as substr...


J Med Chem 59: 1565-79 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01511
BindingDB Entry DOI: 10.7270/Q2N87CPF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50155887
PNG
(CHEMBL3781449)
Show SMILES CCCNS(=O)(=O)c1ccc2N(CC)C(=O)c3cccc1c23
Show InChI InChI=1S/C16H18N2O3S/c1-3-10-17-22(20,21)14-9-8-13-15-11(14)6-5-7-12(15)16(19)18(13)4-2/h5-9,17H,3-4,10H2,1-2H3
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n/an/a 310n/an/an/an/an/an/a



Guangzhou Institutes of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of human His6-tagged BRD4 bromodomain 1 (N44 to E168 residues) expressed in Escherichia coli BL21(DE3) cells using biotin-H4KAc4 as substr...


J Med Chem 59: 1565-79 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01511
BindingDB Entry DOI: 10.7270/Q2N87CPF
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50155848
PNG
(CHEMBL3780128)
Show SMILES CCN1C(=O)c2cccc3c(NS(=O)(=O)c4ccc(F)cc4)ccc1c23
Show InChI InChI=1S/C19H15FN2O3S/c1-2-22-17-11-10-16(14-4-3-5-15(18(14)17)19(22)23)21-26(24,25)13-8-6-12(20)7-9-13/h3-11,21H,2H2,1H3
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n/an/a 400n/an/an/an/an/an/a



Guangzhou Institutes of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of human His6-tagged BRD4 bromodomain 1 (N44 to E168 residues) expressed in Escherichia coli BL21(DE3) cells using biotin-H4KAc4 as substr...


J Med Chem 59: 1565-79 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01511
BindingDB Entry DOI: 10.7270/Q2N87CPF
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50155883
PNG
(CHEMBL3780429)
Show SMILES CCN1C(=O)c2cccc3c(NS(=O)(=O)c4cc(Br)ccc4OC)ccc1c23
Show InChI InChI=1S/C20H17BrN2O4S/c1-3-23-16-9-8-15(13-5-4-6-14(19(13)16)20(23)24)22-28(25,26)18-11-12(21)7-10-17(18)27-2/h4-11,22H,3H2,1-2H3
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n/an/a 410n/an/an/an/an/an/a



Guangzhou Institutes of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of human His6-tagged BRD4 bromodomain 1 (N44 to E168 residues) expressed in Escherichia coli BL21(DE3) cells using biotin-H4KAc4 as substr...


J Med Chem 59: 1565-79 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01511
BindingDB Entry DOI: 10.7270/Q2N87CPF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50155888
PNG
(CHEMBL3780279)
Show SMILES CCCCNS(=O)(=O)c1ccc2N(CC)C(=O)c3cccc1c23
Show InChI InChI=1S/C17H20N2O3S/c1-3-5-11-18-23(21,22)15-10-9-14-16-12(15)7-6-8-13(16)17(20)19(14)4-2/h6-10,18H,3-5,11H2,1-2H3
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n/an/a 440n/an/an/an/an/an/a



Guangzhou Institutes of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of human His6-tagged BRD4 bromodomain 1 (N44 to E168 residues) expressed in Escherichia coli BL21(DE3) cells using biotin-H4KAc4 as substr...


J Med Chem 59: 1565-79 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01511
BindingDB Entry DOI: 10.7270/Q2N87CPF
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50155938
PNG
(CHEMBL3781752)
Show SMILES CCN1C(=O)c2cccc3c(ccc1c23)S(=O)(=O)NC1CCCCCC1
Show InChI InChI=1S/C20H24N2O3S/c1-2-22-17-12-13-18(15-10-7-11-16(19(15)17)20(22)23)26(24,25)21-14-8-5-3-4-6-9-14/h7,10-14,21H,2-6,8-9H2,1H3
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n/an/a 450n/an/an/an/an/an/a



Guangzhou Institutes of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of human His6-tagged BRD4 bromodomain 1 (N44 to E168 residues) expressed in Escherichia coli BL21(DE3) cells using biotin-H4KAc4 as substr...


J Med Chem 59: 1565-79 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01511
BindingDB Entry DOI: 10.7270/Q2N87CPF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50155851
PNG
(CHEMBL3780706)
Show SMILES CCN1C(=O)c2cccc3c(NS(=O)(=O)c4ccc(F)cc4Cl)ccc1c23
Show InChI InChI=1S/C19H14ClFN2O3S/c1-2-23-16-8-7-15(12-4-3-5-13(18(12)16)19(23)24)22-27(25,26)17-9-6-11(21)10-14(17)20/h3-10,22H,2H2,1H3
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n/an/a 450n/an/an/an/an/an/a



Guangzhou Institutes of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of human His6-tagged BRD4 bromodomain 1 (N44 to E168 residues) expressed in Escherichia coli BL21(DE3) cells using biotin-H4KAc4 as substr...


J Med Chem 59: 1565-79 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01511
BindingDB Entry DOI: 10.7270/Q2N87CPF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50151926
PNG
(CHEMBL3781484)
Show SMILES CCN1C(=O)c2cccc3c(NS(=O)(=O)C4CCCC4)ccc1c23
Show InChI InChI=1S/C18H20N2O3S/c1-2-20-16-11-10-15(19-24(22,23)12-6-3-4-7-12)13-8-5-9-14(17(13)16)18(20)21/h5,8-12,19H,2-4,6-7H2,1H3
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n/an/a 460n/an/an/an/an/an/a



Guangzhou Institutes of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of human His6-tagged BRD4 bromodomain 1 (N44 to E168 residues) expressed in Escherichia coli BL21(DE3) cells using biotin-H4KAc4 as substr...


J Med Chem 59: 1565-79 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01511
BindingDB Entry DOI: 10.7270/Q2N87CPF
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50155881
PNG
(CHEMBL3779929)
Show SMILES CCN1C(=O)c2cccc3c(NS(=O)(=O)c4cc(Cl)ccc4OC)ccc1c23
Show InChI InChI=1S/C20H17ClN2O4S/c1-3-23-16-9-8-15(13-5-4-6-14(19(13)16)20(23)24)22-28(25,26)18-11-12(21)7-10-17(18)27-2/h4-11,22H,3H2,1-2H3
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n/an/a 470n/an/an/an/an/an/a



Guangzhou Institutes of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of human His6-tagged BRD4 bromodomain 1 (N44 to E168 residues) expressed in Escherichia coli BL21(DE3) cells using biotin-H4KAc4 as substr...


J Med Chem 59: 1565-79 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01511
BindingDB Entry DOI: 10.7270/Q2N87CPF
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50103503
PNG
(CHEMBL2393130)
Show SMILES COc1cc(OC)c2c(c1)nc([nH]c2=O)-c1cc(C)c(OCCO)c(C)c1
Show InChI InChI=1S/C20H22N2O5/c1-11-7-13(8-12(2)18(11)27-6-5-23)19-21-15-9-14(25-3)10-16(26-4)17(15)20(24)22-19/h7-10,23H,5-6H2,1-4H3,(H,21,22,24)
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n/an/a 510n/an/an/an/an/an/a



Guangzhou Institutes of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged BRD3 bromodomain 2 using biotin-H4K5acK8acK12acK16ac as substrate incubated for 30 mins by alphascreen assay


J Med Chem 59: 1565-79 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01511
BindingDB Entry DOI: 10.7270/Q2N87CPF
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50155850
PNG
(CHEMBL3781534)
Show SMILES CCN1C(=O)c2cccc3c(NS(=O)(=O)c4ccccc4Br)ccc1c23
Show InChI InChI=1S/C19H15BrN2O3S/c1-2-22-16-11-10-15(12-6-5-7-13(18(12)16)19(22)23)21-26(24,25)17-9-4-3-8-14(17)20/h3-11,21H,2H2,1H3
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n/an/a 510n/an/an/an/an/an/a



Guangzhou Institutes of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of human His6-tagged BRD4 bromodomain 1 (N44 to E168 residues) expressed in Escherichia coli BL21(DE3) cells using biotin-H4KAc4 as substr...


J Med Chem 59: 1565-79 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01511
BindingDB Entry DOI: 10.7270/Q2N87CPF
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50155866
PNG
(CHEMBL3780560)
Show SMILES CCN1C(=O)c2cccc3c(NS(=O)(=O)c4ccc(C)cc4)ccc1c23
Show InChI InChI=1S/C20H18N2O3S/c1-3-22-18-12-11-17(15-5-4-6-16(19(15)18)20(22)23)21-26(24,25)14-9-7-13(2)8-10-14/h4-12,21H,3H2,1-2H3
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n/an/a 530n/an/an/an/an/an/a



Guangzhou Institutes of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of human His6-tagged BRD4 bromodomain 1 (N44 to E168 residues) expressed in Escherichia coli BL21(DE3) cells using biotin-H4KAc4 as substr...


J Med Chem 59: 1565-79 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01511
BindingDB Entry DOI: 10.7270/Q2N87CPF
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50155889
PNG
(CHEMBL3780015)
Show SMILES CCN1C(=O)c2cccc3c(ccc1c23)S(=O)(=O)NCC(C)C
Show InChI InChI=1S/C17H20N2O3S/c1-4-19-14-8-9-15(23(21,22)18-10-11(2)3)12-6-5-7-13(16(12)14)17(19)20/h5-9,11,18H,4,10H2,1-3H3
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n/an/a 600n/an/an/an/an/an/a



Guangzhou Institutes of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of human His6-tagged BRD4 bromodomain 1 (N44 to E168 residues) expressed in Escherichia coli BL21(DE3) cells using biotin-H4KAc4 as substr...


J Med Chem 59: 1565-79 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01511
BindingDB Entry DOI: 10.7270/Q2N87CPF
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50155849
PNG
(CHEMBL3780017)
Show SMILES CCN1C(=O)c2cccc3c(NS(=O)(=O)c4cccc(F)c4)ccc1c23
Show InChI InChI=1S/C19H15FN2O3S/c1-2-22-17-10-9-16(14-7-4-8-15(18(14)17)19(22)23)21-26(24,25)13-6-3-5-12(20)11-13/h3-11,21H,2H2,1H3
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n/an/a 620n/an/an/an/an/an/a



Guangzhou Institutes of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of human His6-tagged BRD4 bromodomain 1 (N44 to E168 residues) expressed in Escherichia coli BL21(DE3) cells using biotin-H4KAc4 as substr...


J Med Chem 59: 1565-79 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01511
BindingDB Entry DOI: 10.7270/Q2N87CPF
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50151925
PNG
(CHEMBL3780901)
Show SMILES CCCCS(=O)(=O)Nc1ccc2N(CC)C(=O)c3cccc1c23
Show InChI InChI=1S/C17H20N2O3S/c1-3-5-11-23(21,22)18-14-9-10-15-16-12(14)7-6-8-13(16)17(20)19(15)4-2/h6-10,18H,3-5,11H2,1-2H3
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n/an/a 730n/an/an/an/an/an/a



Guangzhou Institutes of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of human His6-tagged BRD4 bromodomain 1 (N44 to E168 residues) expressed in Escherichia coli BL21(DE3) cells using biotin-H4KAc4 as substr...


J Med Chem 59: 1565-79 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01511
BindingDB Entry DOI: 10.7270/Q2N87CPF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50155845
PNG
(CHEMBL1485571)
Show SMILES CCN1C(=O)c2cccc3c(ccc1c23)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C19H16N2O3S/c1-2-21-16-11-12-17(14-9-6-10-15(18(14)16)19(21)22)25(23,24)20-13-7-4-3-5-8-13/h3-12,20H,2H2,1H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



Guangzhou Institutes of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of human His6-tagged BRD4 bromodomain 1 (N44 to E168 residues) expressed in Escherichia coli BL21(DE3) cells using biotin-H4KAc4 as substr...


J Med Chem 59: 1565-79 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01511
BindingDB Entry DOI: 10.7270/Q2N87CPF
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50155874
PNG
(CHEMBL3780508)
Show SMILES CCN1C(=O)c2cccc3c(ccc1c23)S(=O)(=O)Nc1ccccc1C(O)=O
Show InChI InChI=1S/C20H16N2O5S/c1-2-22-16-10-11-17(13-7-5-8-14(18(13)16)19(22)23)28(26,27)21-15-9-4-3-6-12(15)20(24)25/h3-11,21H,2H2,1H3,(H,24,25)
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n/an/a 1.04E+3n/an/an/an/an/an/a



Guangzhou Institutes of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of human His6-tagged BRD4 bromodomain 1 (N44 to E168 residues) expressed in Escherichia coli BL21(DE3) cells using biotin-H4KAc4 as substr...


J Med Chem 59: 1565-79 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01511
BindingDB Entry DOI: 10.7270/Q2N87CPF
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50155885
PNG
(CHEMBL3780093)
Show SMILES CCNS(=O)(=O)c1ccc2N(CC)C(=O)c3cccc1c23
Show InChI InChI=1S/C15H16N2O3S/c1-3-16-21(19,20)13-9-8-12-14-10(13)6-5-7-11(14)15(18)17(12)4-2/h5-9,16H,3-4H2,1-2H3
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n/an/a 1.09E+3n/an/an/an/an/an/a



Guangzhou Institutes of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of human His6-tagged BRD4 bromodomain 1 (N44 to E168 residues) expressed in Escherichia coli BL21(DE3) cells using biotin-H4KAc4 as substr...


J Med Chem 59: 1565-79 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01511
BindingDB Entry DOI: 10.7270/Q2N87CPF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50155953
PNG
(CHEMBL3781093)
Show SMILES CCN1C(=O)c2cccc3c(ccc1c23)S(=O)(=O)NC1CCCN(C1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C23H29N3O5S/c1-5-26-18-11-12-19(16-9-6-10-17(20(16)18)21(26)27)32(29,30)24-15-8-7-13-25(14-15)22(28)31-23(2,3)4/h6,9-12,15,24H,5,7-8,13-14H2,1-4H3
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n/an/a 1.12E+3n/an/an/an/an/an/a



Guangzhou Institutes of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of human His6-tagged BRD4 bromodomain 1 (N44 to E168 residues) expressed in Escherichia coli BL21(DE3) cells using biotin-H4KAc4 as substr...


J Med Chem 59: 1565-79 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01511
BindingDB Entry DOI: 10.7270/Q2N87CPF
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50155892
PNG
(CHEMBL3782048)
Show SMILES CCN1C(=O)c2cccc3c(ccc1c23)S(=O)(=O)NCCCCNC(=O)OC(C)(C)C
Show InChI InChI=1S/C22H29N3O5S/c1-5-25-17-11-12-18(15-9-8-10-16(19(15)17)20(25)26)31(28,29)24-14-7-6-13-23-21(27)30-22(2,3)4/h8-12,24H,5-7,13-14H2,1-4H3,(H,23,27)
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n/an/a 1.16E+3n/an/an/an/an/an/a



Guangzhou Institutes of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of human His6-tagged BRD4 bromodomain 1 (N44 to E168 residues) expressed in Escherichia coli BL21(DE3) cells using biotin-H4KAc4 as substr...


J Med Chem 59: 1565-79 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01511
BindingDB Entry DOI: 10.7270/Q2N87CPF
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50155951
PNG
(CHEMBL3781213)
Show SMILES CCCS(=O)(=O)Nc1ccc2N(CC)C(=O)c3cccc1c23
Show InChI InChI=1S/C16H18N2O3S/c1-3-10-22(20,21)17-13-8-9-14-15-11(13)6-5-7-12(15)16(19)18(14)4-2/h5-9,17H,3-4,10H2,1-2H3
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n/an/a 1.17E+3n/an/an/an/an/an/a



Guangzhou Institutes of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of human His6-tagged BRD4 bromodomain 1 (N44 to E168 residues) expressed in Escherichia coli BL21(DE3) cells using biotin-H4KAc4 as substr...


J Med Chem 59: 1565-79 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01511
BindingDB Entry DOI: 10.7270/Q2N87CPF
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50155846
PNG
(CHEMBL3779900)
Show SMILES CCN1C(=O)c2cccc3c(NS(=O)(=O)c4cccs4)ccc1c23
Show InChI InChI=1S/C17H14N2O3S2/c1-2-19-14-9-8-13(18-24(21,22)15-7-4-10-23-15)11-5-3-6-12(16(11)14)17(19)20/h3-10,18H,2H2,1H3
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n/an/a 1.19E+3n/an/an/an/an/an/a



Guangzhou Institutes of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of human His6-tagged BRD4 bromodomain 1 (N44 to E168 residues) expressed in Escherichia coli BL21(DE3) cells using biotin-H4KAc4 as substr...


J Med Chem 59: 1565-79 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01511
BindingDB Entry DOI: 10.7270/Q2N87CPF
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50155947
PNG
(CHEMBL3781898)
Show SMILES CCN1C(=O)c2cccc3c(ccc1c23)S(=O)(=O)NC1CCOCC1
Show InChI InChI=1S/C18H20N2O4S/c1-2-20-15-6-7-16(13-4-3-5-14(17(13)15)18(20)21)25(22,23)19-12-8-10-24-11-9-12/h3-7,12,19H,2,8-11H2,1H3
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n/an/a 1.21E+3n/an/an/an/an/an/a



Guangzhou Institutes of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of human His6-tagged BRD4 bromodomain 1 (N44 to E168 residues) expressed in Escherichia coli BL21(DE3) cells using biotin-H4KAc4 as substr...


J Med Chem 59: 1565-79 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01511
BindingDB Entry DOI: 10.7270/Q2N87CPF
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50155890
PNG
(CHEMBL3781513)
Show SMILES CCCCCNS(=O)(=O)c1ccc2N(CC)C(=O)c3cccc1c23
Show InChI InChI=1S/C18H22N2O3S/c1-3-5-6-12-19-24(22,23)16-11-10-15-17-13(16)8-7-9-14(17)18(21)20(15)4-2/h7-11,19H,3-6,12H2,1-2H3
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n/an/a 1.50E+3n/an/an/an/an/an/a



Guangzhou Institutes of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of human His6-tagged BRD4 bromodomain 1 (N44 to E168 residues) expressed in Escherichia coli BL21(DE3) cells using biotin-H4KAc4 as substr...


J Med Chem 59: 1565-79 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01511
BindingDB Entry DOI: 10.7270/Q2N87CPF
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50155882
PNG
(CHEMBL3780398)
Show SMILES CCN1C(=O)c2cccc3c(ccc1c23)S(=O)(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C19H15FN2O3S/c1-2-22-16-10-11-17(14-4-3-5-15(18(14)16)19(22)23)26(24,25)21-13-8-6-12(20)7-9-13/h3-11,21H,2H2,1H3
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n/an/a 1.53E+3n/an/an/an/an/an/a



Guangzhou Institutes of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of human His6-tagged BRD4 bromodomain 1 (N44 to E168 residues) expressed in Escherichia coli BL21(DE3) cells using biotin-H4KAc4 as substr...


J Med Chem 59: 1565-79 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01511
BindingDB Entry DOI: 10.7270/Q2N87CPF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50155873
PNG
(CHEMBL3780026)
Show SMILES CCN1C(=O)c2cccc3c(NS(=O)(=O)c4ccccc4C(O)=O)ccc1c23
Show InChI InChI=1S/C20H16N2O5S/c1-2-22-16-11-10-15(12-7-5-8-14(18(12)16)19(22)23)21-28(26,27)17-9-4-3-6-13(17)20(24)25/h3-11,21H,2H2,1H3,(H,24,25)
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n/an/a 1.58E+3n/an/an/an/an/an/a



Guangzhou Institutes of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of human His6-tagged BRD4 bromodomain 1 (N44 to E168 residues) expressed in Escherichia coli BL21(DE3) cells using biotin-H4KAc4 as substr...


J Med Chem 59: 1565-79 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01511
BindingDB Entry DOI: 10.7270/Q2N87CPF
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50155945
PNG
(CHEMBL3781730)
Show SMILES CCN1C(=O)c2cccc3c(ccc1c23)S(=O)(=O)NC1CCOC1
Show InChI InChI=1S/C17H18N2O4S/c1-2-19-14-6-7-15(24(21,22)18-11-8-9-23-10-11)12-4-3-5-13(16(12)14)17(19)20/h3-7,11,18H,2,8-10H2,1H3
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n/an/a 1.67E+3n/an/an/an/an/an/a



Guangzhou Institutes of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of human His6-tagged BRD4 bromodomain 1 (N44 to E168 residues) expressed in Escherichia coli BL21(DE3) cells using biotin-H4KAc4 as substr...


J Med Chem 59: 1565-79 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01511
BindingDB Entry DOI: 10.7270/Q2N87CPF
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50155944
PNG
(CHEMBL3234250)
Show SMILES CCN1C(=O)c2cccc3c(ccc1c23)S(=O)(=O)NC1CCN(CC1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C23H29N3O5S/c1-5-26-18-9-10-19(16-7-6-8-17(20(16)18)21(26)27)32(29,30)24-15-11-13-25(14-12-15)22(28)31-23(2,3)4/h6-10,15,24H,5,11-14H2,1-4H3
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n/an/a 1.69E+3n/an/an/an/an/an/a



Guangzhou Institutes of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of human His6-tagged BRD4 bromodomain 1 (N44 to E168 residues) expressed in Escherichia coli BL21(DE3) cells using biotin-H4KAc4 as substr...


J Med Chem 59: 1565-79 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01511
BindingDB Entry DOI: 10.7270/Q2N87CPF
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50155852
PNG
(CHEMBL3780753)
Show SMILES CCN1C(=O)c2cccc3c(NS(=O)(=O)c4ccc(Cl)cc4F)ccc1c23
Show InChI InChI=1S/C19H14ClFN2O3S/c1-2-23-16-8-7-15(12-4-3-5-13(18(12)16)19(23)24)22-27(25,26)17-9-6-11(20)10-14(17)21/h3-10,22H,2H2,1H3
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n/an/a 1.72E+3n/an/an/an/an/an/a



Guangzhou Institutes of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of human His6-tagged BRD4 bromodomain 1 (N44 to E168 residues) expressed in Escherichia coli BL21(DE3) cells using biotin-H4KAc4 as substr...


J Med Chem 59: 1565-79 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01511
BindingDB Entry DOI: 10.7270/Q2N87CPF
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50155950
PNG
(CHEMBL3781500)
Show SMILES CCN1C(=O)c2cccc3c(ccc1c23)S(=O)(=O)NC1(CCCCC1)C(N)=O
Show InChI InChI=1S/C20H23N3O4S/c1-2-23-15-9-10-16(13-7-6-8-14(17(13)15)18(23)24)28(26,27)22-20(19(21)25)11-4-3-5-12-20/h6-10,22H,2-5,11-12H2,1H3,(H2,21,25)
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n/an/a 1.94E+3n/an/an/an/an/an/a



Guangzhou Institutes of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of human His6-tagged BRD4 bromodomain 1 (N44 to E168 residues) expressed in Escherichia coli BL21(DE3) cells using biotin-H4KAc4 as substr...


J Med Chem 59: 1565-79 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01511
BindingDB Entry DOI: 10.7270/Q2N87CPF
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50155868
PNG
(CHEMBL3781951)
Show SMILES CCN1C(=O)c2cccc3c(ccc1c23)S(=O)(=O)Nc1ccccc1Cl
Show InChI InChI=1S/C19H15ClN2O3S/c1-2-22-16-10-11-17(12-6-5-7-13(18(12)16)19(22)23)26(24,25)21-15-9-4-3-8-14(15)20/h3-11,21H,2H2,1H3
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n/an/a 1.96E+3n/an/an/an/an/an/a



Guangzhou Institutes of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of human His6-tagged BRD4 bromodomain 1 (N44 to E168 residues) expressed in Escherichia coli BL21(DE3) cells using biotin-H4KAc4 as substr...


J Med Chem 59: 1565-79 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01511
BindingDB Entry DOI: 10.7270/Q2N87CPF
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50155869
PNG
(CHEMBL3780784)
Show SMILES CCN1C(=O)c2cccc3c(NS(=O)(=O)c4ccc(cc4)[N+]([O-])=O)ccc1c23
Show InChI InChI=1S/C19H15N3O5S/c1-2-21-17-11-10-16(14-4-3-5-15(18(14)17)19(21)23)20-28(26,27)13-8-6-12(7-9-13)22(24)25/h3-11,20H,2H2,1H3
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n/an/a 2.28E+3n/an/an/an/an/an/a



Guangzhou Institutes of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of human His6-tagged BRD4 bromodomain 1 (N44 to E168 residues) expressed in Escherichia coli BL21(DE3) cells using biotin-H4KAc4 as substr...


J Med Chem 59: 1565-79 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01511
BindingDB Entry DOI: 10.7270/Q2N87CPF
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50155871
PNG
(CHEMBL3780234)
Show SMILES CCN1C(=O)c2cccc3c(NS(=O)(=O)c4ccccc4C(=O)OC)ccc1c23
Show InChI InChI=1S/C21H18N2O5S/c1-3-23-17-12-11-16(13-8-6-9-15(19(13)17)20(23)24)22-29(26,27)18-10-5-4-7-14(18)21(25)28-2/h4-12,22H,3H2,1-2H3
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n/an/a 2.29E+3n/an/an/an/an/an/a



Guangzhou Institutes of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of human His6-tagged BRD4 bromodomain 1 (N44 to E168 residues) expressed in Escherichia coli BL21(DE3) cells using biotin-H4KAc4 as substr...


J Med Chem 59: 1565-79 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01511
BindingDB Entry DOI: 10.7270/Q2N87CPF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50155857
PNG
(CHEMBL3781095)
Show SMILES CCN1C(=O)c2cccc3c(NS(=O)(=O)c4cccc(Cl)c4Cl)ccc1c23
Show InChI InChI=1S/C19H14Cl2N2O3S/c1-2-23-15-10-9-14(11-5-3-6-12(17(11)15)19(23)24)22-27(25,26)16-8-4-7-13(20)18(16)21/h3-10,22H,2H2,1H3
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n/an/a 2.55E+3n/an/an/an/an/an/a



Guangzhou Institutes of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of human His6-tagged BRD4 bromodomain 1 (N44 to E168 residues) expressed in Escherichia coli BL21(DE3) cells using biotin-H4KAc4 as substr...


J Med Chem 59: 1565-79 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01511
BindingDB Entry DOI: 10.7270/Q2N87CPF
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50155952
PNG
(CHEMBL3780462)
Show SMILES CCN1C(=O)c2cccc3c(ccc1c23)S(=O)(=O)NCC1(CCCC1)C(O)=O
Show InChI InChI=1S/C20H22N2O5S/c1-2-22-15-8-9-16(13-6-5-7-14(17(13)15)18(22)23)28(26,27)21-12-20(19(24)25)10-3-4-11-20/h5-9,21H,2-4,10-12H2,1H3,(H,24,25)
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n/an/a 2.58E+3n/an/an/an/an/an/a



Guangzhou Institutes of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of human His6-tagged BRD4 bromodomain 1 (N44 to E168 residues) expressed in Escherichia coli BL21(DE3) cells using biotin-H4KAc4 as substr...


J Med Chem 59: 1565-79 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01511
BindingDB Entry DOI: 10.7270/Q2N87CPF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50155867
PNG
(CHEMBL3780879)
Show SMILES CCN1C(=O)c2cccc3c(NS(=O)(=O)c4ccc(cc4)C#N)ccc1c23
Show InChI InChI=1S/C20H15N3O3S/c1-2-23-18-11-10-17(15-4-3-5-16(19(15)18)20(23)24)22-27(25,26)14-8-6-13(12-21)7-9-14/h3-11,22H,2H2,1H3
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n/an/a 2.98E+3n/an/an/an/an/an/a



Guangzhou Institutes of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of human His6-tagged BRD4 bromodomain 1 (N44 to E168 residues) expressed in Escherichia coli BL21(DE3) cells using biotin-H4KAc4 as substr...


J Med Chem 59: 1565-79 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01511
BindingDB Entry DOI: 10.7270/Q2N87CPF
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50155876
PNG
(CHEMBL3780384)
Show SMILES CCN1C(=O)c2cccc3c(NS(=O)(=O)c4cccc(c4)C(=O)OC)ccc1c23
Show InChI InChI=1S/C21H18N2O5S/c1-3-23-18-11-10-17(15-8-5-9-16(19(15)18)20(23)24)22-29(26,27)14-7-4-6-13(12-14)21(25)28-2/h4-12,22H,3H2,1-2H3
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n/an/a 3.13E+3n/an/an/an/an/an/a



Guangzhou Institutes of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of human His6-tagged BRD4 bromodomain 1 (N44 to E168 residues) expressed in Escherichia coli BL21(DE3) cells using biotin-H4KAc4 as substr...


J Med Chem 59: 1565-79 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01511
BindingDB Entry DOI: 10.7270/Q2N87CPF
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50005483
PNG
(CHEMBL138196 | CHEMBL3234253)
Show SMILES CCN1C(=O)c2cccc3c(ccc1c23)S(=O)(=O)NCC1CCN(CC1)C(C)=O
Show InChI InChI=1S/C21H25N3O4S/c1-3-24-18-7-8-19(16-5-4-6-17(20(16)18)21(24)26)29(27,28)22-13-15-9-11-23(12-10-15)14(2)25/h4-8,15,22H,3,9-13H2,1-2H3
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n/an/a 3.18E+3n/an/an/an/an/an/a



Guangzhou Institutes of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of human His6-tagged BRD4 bromodomain 1 (N44 to E168 residues) expressed in Escherichia coli BL21(DE3) cells using biotin-H4KAc4 as substr...


J Med Chem 59: 1565-79 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01511
BindingDB Entry DOI: 10.7270/Q2N87CPF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50155872
PNG
(CHEMBL3780409)
Show SMILES CCN1C(=O)c2cccc3c(ccc1c23)S(=O)(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C19H15ClN2O3S/c1-2-22-16-10-11-17(14-4-3-5-15(18(14)16)19(22)23)26(24,25)21-13-8-6-12(20)7-9-13/h3-11,21H,2H2,1H3
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n/an/a 3.24E+3n/an/an/an/an/an/a



Guangzhou Institutes of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of human His6-tagged BRD4 bromodomain 1 (N44 to E168 residues) expressed in Escherichia coli BL21(DE3) cells using biotin-H4KAc4 as substr...


J Med Chem 59: 1565-79 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01511
BindingDB Entry DOI: 10.7270/Q2N87CPF
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50155856
PNG
(CHEMBL3780992)
Show SMILES CCN1C(=O)c2cccc3c(ccc1c23)S(=O)(=O)NCCC1CCOCC1
Show InChI InChI=1S/C20H24N2O4S/c1-2-22-17-6-7-18(15-4-3-5-16(19(15)17)20(22)23)27(24,25)21-11-8-14-9-12-26-13-10-14/h3-7,14,21H,2,8-13H2,1H3
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n/an/a 3.44E+3n/an/an/an/an/an/a



Guangzhou Institutes of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of human His6-tagged BRD4 bromodomain 1 (N44 to E168 residues) expressed in Escherichia coli BL21(DE3) cells using biotin-H4KAc4 as substr...


J Med Chem 59: 1565-79 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01511
BindingDB Entry DOI: 10.7270/Q2N87CPF
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50155879
PNG
(CHEMBL3780526)
Show SMILES CCN1C(=O)c2cccc3c(NS(=O)(=O)c4cccc(c4)C(O)=O)ccc1c23
Show InChI InChI=1S/C20H16N2O5S/c1-2-22-17-10-9-16(14-7-4-8-15(18(14)17)19(22)23)21-28(26,27)13-6-3-5-12(11-13)20(24)25/h3-11,21H,2H2,1H3,(H,24,25)
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n/an/a 3.51E+3n/an/an/an/an/an/a



Guangzhou Institutes of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of human His6-tagged BRD4 bromodomain 1 (N44 to E168 residues) expressed in Escherichia coli BL21(DE3) cells using biotin-H4KAc4 as substr...


J Med Chem 59: 1565-79 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01511
BindingDB Entry DOI: 10.7270/Q2N87CPF
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50155870
PNG
(CHEMBL3780301)
Show SMILES CCN1C(=O)c2cccc3c(ccc1c23)S(=O)(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C19H15ClN2O3S/c1-2-22-16-9-10-17(14-7-4-8-15(18(14)16)19(22)23)26(24,25)21-13-6-3-5-12(20)11-13/h3-11,21H,2H2,1H3
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n/an/a 3.74E+3n/an/an/an/an/an/a



Guangzhou Institutes of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of human His6-tagged BRD4 bromodomain 1 (N44 to E168 residues) expressed in Escherichia coli BL21(DE3) cells using biotin-H4KAc4 as substr...


J Med Chem 59: 1565-79 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01511
BindingDB Entry DOI: 10.7270/Q2N87CPF
More data for this
Ligand-Target Pair
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