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PubMed code 26731490

Compile data set for download or QSAR
Found 99 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 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 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))		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 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))		BDBM50365262
PNG
((+)-JQ1 | (S)-JQ1 (1) | CHEMBL1957266 | JQ1 | US10...)
Show SMILES Cc1nnc2[C@H](CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |r,c:14|
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))		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))		BDBM50365262
PNG
((+)-JQ1 | (S)-JQ1 (1) | CHEMBL1957266 | JQ1 | US10...)
Show SMILES Cc1nnc2[C@H](CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |r,c:14|
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))		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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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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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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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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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))		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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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))		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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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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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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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))		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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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 | US11117865, Compound RVX-208)
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))		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
Bromodomain-containing protein 4


(Homo sapiens (Human))		BDBM50155940
PNG
(CHEMBL3781570)
Show SMILES CCN1C(=O)c2cccc3c(NS(=O)(=O)c4cc(OC)ccc4OC)ccc1c23
Show InChI InChI=1S/C21H20N2O5S/c1-4-23-17-10-9-16(14-6-5-7-15(20(14)17)21(23)24)22-29(25,26)19-12-13(27-2)8-11-18(19)28-3/h5-12,22H,4H2,1-3H3
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n/an/a 3.87E+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))		BDBM50155954
PNG
(CHEMBL3781084)
Show SMILES CCN1C(=O)c2cccc3c(ccc1c23)S(=O)(=O)NC1CCN(C1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C22H27N3O5S/c1-5-25-17-9-10-18(15-7-6-8-16(19(15)17)20(25)26)31(28,29)23-14-11-12-24(13-14)21(27)30-22(2,3)4/h6-10,14,23H,5,11-13H2,1-4H3
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n/an/a 4.10E+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))		BDBM50155861
PNG
(CHEMBL3780381)
Show SMILES CCN1C(=O)c2cccc3c(ccc1c23)S(=O)(=O)NCCCN1CCN(C)CC1
Show InChI InChI=1S/C21H28N4O3S/c1-3-25-18-8-9-19(16-6-4-7-17(20(16)18)21(25)26)29(27,28)22-10-5-11-24-14-12-23(2)13-15-24/h4,6-9,22H,3,5,10-15H2,1-2H3
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n/an/a 4.17E+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))		BDBM50155949
PNG
(CHEMBL3780115)
Show SMILES CCN1C(=O)c2cccc3c(NS(=O)(=O)CC)ccc1c23
Show InChI InChI=1S/C15H16N2O3S/c1-3-17-13-9-8-12(16-21(19,20)4-2)10-6-5-7-11(14(10)13)15(17)18/h5-9,16H,3-4H2,1-2H3
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n/an/a 4.27E+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))		BDBM50155955
PNG
(CHEMBL3780000)
Show SMILES CCN1C(=O)c2cccc3c(NS(=O)(=O)Cc4ccccc4F)ccc1c23
Show InChI InChI=1S/C20H17FN2O3S/c1-2-23-18-11-10-17(14-7-5-8-15(19(14)18)20(23)24)22-27(25,26)12-13-6-3-4-9-16(13)21/h3-11,22H,2,12H2,1H3
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n/an/a 4.29E+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
Bromodomain-containing protein 4


(Homo sapiens (Human))		BDBM50005485
PNG
(CHEMBL140836 | CHEMBL3234256)
Show SMILES CCN1C(=O)c2cccc3c(ccc1c23)S(=O)(=O)Nc1ccc(NC(C)=O)cc1
Show InChI InChI=1S/C21H19N3O4S/c1-3-24-18-11-12-19(16-5-4-6-17(20(16)18)21(24)26)29(27,28)23-15-9-7-14(8-10-15)22-13(2)25/h4-12,23H,3H2,1-2H3,(H,22,25)
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n/an/a 4.70E+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))		BDBM50156020
PNG
(CHEMBL3780143)
Show SMILES CCN1C(=O)c2cccc3c(NS(=O)(=O)Cc4ccc(Cl)cc4)ccc1c23
Show InChI InChI=1S/C20H17ClN2O3S/c1-2-23-18-11-10-17(15-4-3-5-16(19(15)18)20(23)24)22-27(25,26)12-13-6-8-14(21)9-7-13/h3-11,22H,2,12H2,1H3
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n/an/a 4.81E+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))		BDBM50155956
PNG
(CHEMBL3781556)
Show SMILES CCN1C(=O)c2cccc3c(ccc1c23)S(=O)(=O)NC1CN(C1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C21H25N3O5S/c1-5-24-16-9-10-17(14-7-6-8-15(18(14)16)19(24)25)30(27,28)22-13-11-23(12-13)20(26)29-21(2,3)4/h6-10,13,22H,5,11-12H2,1-4H3
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n/an/a 4.84E+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))		BDBM50155987
PNG
(CHEMBL3780491)
Show SMILES CCN1C(=O)c2cccc3c(NS(=O)(=O)Cc4ccc(F)cc4)ccc1c23
Show InChI InChI=1S/C20H17FN2O3S/c1-2-23-18-11-10-17(15-4-3-5-16(19(15)18)20(23)24)22-27(25,26)12-13-6-8-14(21)9-7-13/h3-11,22H,2,12H2,1H3
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n/an/a 4.90E+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))		BDBM50155941
PNG
(CHEMBL3780218)
Show SMILES CCCN1C(=O)c2cccc3c(ccc1c23)S(=O)(=O)NC1CCCCC1
Show InChI InChI=1S/C20H24N2O3S/c1-2-13-22-17-11-12-18(15-9-6-10-16(19(15)17)20(22)23)26(24,25)21-14-7-4-3-5-8-14/h6,9-12,14,21H,2-5,7-8,13H2,1H3
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n/an/a 5.21E+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))		BDBM50155957
PNG
(CHEMBL3780338)
Show SMILES CCN1C(=O)c2cccc3c(NS(=O)(=O)Cc4cccc(F)c4)ccc1c23
Show InChI InChI=1S/C20H17FN2O3S/c1-2-23-18-10-9-17(15-7-4-8-16(19(15)18)20(23)24)22-27(25,26)12-13-5-3-6-14(21)11-13/h3-11,22H,2,12H2,1H3
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n/an/a 5.29E+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
Bromodomain-containing protein 4


(Homo sapiens (Human))		BDBM50155854
PNG
(CHEMBL3781119)
Show SMILES CCN1C(=O)c2cccc3c(NS(=O)(=O)c4c(Cl)cccc4Cl)ccc1c23
Show InChI InChI=1S/C19H14Cl2N2O3S/c1-2-23-16-10-9-15(11-5-3-6-12(17(11)16)19(23)24)22-27(25,26)18-13(20)7-4-8-14(18)21/h3-10,22H,2H2,1H3
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n/an/a 5.56E+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))		BDBM50156021
PNG
(CHEMBL3781285)
Show SMILES CCN1C(=O)c2cccc3c(NS(=O)(=O)Cc4ccc(C)cc4)ccc1c23
Show InChI InChI=1S/C30H35NO11S/c1-13(32)38-23-24(39-14(2)33)26(40-15(3)34)29(42-25(23)28(36)37-5)43-20-9-7-17-18-12-16-6-8-19(35)22-21(16)30(17,27(20)41-22)10-11-31(18)4/h6-9,17-18,20,23-27,29,35H,10-12H2,1-5H3/t17-,18+,20?,23?,24?,25?,26?,27-,29?,30-/m0/s1
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n/an/a 5.64E+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))		BDBM50155958
PNG
(CHEMBL3780650)
Show SMILES CCN1C(=O)c2cccc3c(ccc1c23)S(=O)(=O)NCC1(C)CC(C)=NO1 |c:27|
Show InChI InChI=1S/C19H21N3O4S/c1-4-22-15-8-9-16(13-6-5-7-14(17(13)15)18(22)23)27(24,25)20-11-19(3)10-12(2)21-26-19/h5-9,20H,4,10-11H2,1-3H3
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n/an/a 5.90E+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))		BDBM50155878
PNG
(CHEMBL3780310)
Show SMILES CCN1C(=O)c2cccc3c(ccc1c23)S(=O)(=O)Nc1cccc(c1)C(O)=O
Show InChI InChI=1S/C20H16N2O5S/c1-2-22-16-9-10-17(14-7-4-8-15(18(14)16)19(22)23)28(26,27)21-13-6-3-5-12(11-13)20(24)25/h3-11,21H,2H2,1H3,(H,24,25)
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n/an/a 6.49E+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))		BDBM50005491
PNG
(CHEMBL3234285 | CHEMBL414616)
Show SMILES CCN1C(=O)c2cccc3c(ccc1c23)S(=O)(=O)Nc1cccc(c1)S(N)(=O)=O
Show InChI InChI=1S/C19H17N3O5S2/c1-2-22-16-9-10-17(14-7-4-8-15(18(14)16)19(22)23)29(26,27)21-12-5-3-6-13(11-12)28(20,24)25/h3-11,21H,2H2,1H3,(H2,20,24,25)
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n/an/a 6.93E+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))		BDBM50005482
PNG
(CHEMBL140772 | CHEMBL3234252)
Show SMILES CCN1C(=O)c2cccc3c(ccc1c23)S(=O)(=O)NC1CCN(CC1)C(C)=O
Show InChI InChI=1S/C20H23N3O4S/c1-3-23-17-7-8-18(15-5-4-6-16(19(15)17)20(23)25)28(26,27)21-14-9-11-22(12-10-14)13(2)24/h4-8,14,21H,3,9-12H2,1-2H3
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n/an/a 7.55E+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))		BDBM50155935
PNG
(CHEMBL3781279)
Show SMILES CCCCNS(=O)(=O)c1ccc2N(C)C(=O)c3cccc1c23
Show InChI InChI=1S/C16H18N2O3S/c1-3-4-10-17-22(20,21)14-9-8-13-15-11(14)6-5-7-12(15)16(19)18(13)2/h5-9,17H,3-4,10H2,1-2H3
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n/an/a 8.22E+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))		BDBM50155948
PNG
(CHEMBL3780233)
Show SMILES CCN1C(=O)c2cccc3c(ccc1c23)S(=O)(=O)NCc1ccccc1F
Show InChI InChI=1S/C20H17FN2O3S/c1-2-23-17-10-11-18(14-7-5-8-15(19(14)17)20(23)24)27(25,26)22-12-13-6-3-4-9-16(13)21/h3-11,22H,2,12H2,1H3
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n/an/a 1.39E+4n/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))		BDBM50155886
PNG
(CHEMBL3234254)
Show SMILES CCN1C(=O)c2cccc3c(ccc1c23)S(=O)(=O)Nc1ccccc1C(C)=O
Show InChI InChI=1S/C21H18N2O4S/c1-3-23-18-11-12-19(15-8-6-9-16(20(15)18)21(23)25)28(26,27)22-17-10-5-4-7-14(17)13(2)24/h4-12,22H,3H2,1-2H3
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n/an/a 1.51E+4n/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))		BDBM50155939
PNG
(CHEMBL3779914)
Show SMILES CCCCNS(=O)(=O)c1ccc2N(CCC)C(=O)c3cccc1c23
Show InChI InChI=1S/C18H22N2O3S/c1-3-5-11-19-24(22,23)16-10-9-15-17-13(16)7-6-8-14(17)18(21)20(15)12-4-2/h6-10,19H,3-5,11-12H2,1-2H3
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n/an/a 2.11E+4n/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))		BDBM50005474
PNG
(CHEMBL140714 | CHEMBL3234241)
Show SMILES CCN1C(=O)c2cccc3c(ccc1c23)S(=O)(=O)NCCN1CCOCC1
Show InChI InChI=1S/C19H23N3O4S/c1-2-22-16-6-7-17(14-4-3-5-15(18(14)16)19(22)23)27(24,25)20-8-9-21-10-12-26-13-11-21/h3-7,20H,2,8-13H2,1H3
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n/an/a>3.00E+4n/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))		BDBM50155859
PNG
(CHEMBL3781265)
Show SMILES CCN1C(=O)c2cccc3c(ccc1c23)S(=O)(=O)NCCN1CCCCC1
Show InChI InChI=1S/C20H25N3O3S/c1-2-23-17-9-10-18(15-7-6-8-16(19(15)17)20(23)24)27(25,26)21-11-14-22-12-4-3-5-13-22/h6-10,21H,2-5,11-14H2,1H3
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n/an/a>3.00E+4n/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))		BDBM50155891
PNG
(CHEMBL3780735)
Show SMILES CCCCCCNS(=O)(=O)c1ccc2N(CC)C(=O)c3cccc1c23
Show InChI InChI=1S/C19H24N2O3S/c1-3-5-6-7-13-20-25(23,24)17-12-11-16-18-14(17)9-8-10-15(18)19(22)21(16)4-2/h8-12,20H,3-7,13H2,1-2H3
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n/an/a>3.00E+4n/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))		BDBM50155862
PNG
(CHEMBL3781341)
Show SMILES CCCCNS(=O)(=O)c1ccc2NC(=O)c3cccc1c23
Show InChI InChI=1S/C15H16N2O3S/c1-2-3-9-16-21(19,20)13-8-7-12-14-10(13)5-4-6-11(14)15(18)17-12/h4-8,16H,2-3,9H2,1H3,(H,17,18)
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n/an/a>3.00E+4n/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))		BDBM50155863
PNG
(CHEMBL3781298)
Show SMILES O=C1Nc2ccc(c3cccc1c23)S(=O)(=O)NC1CCCCC1
Show InChI InChI=1S/C17H18N2O3S/c20-17-13-8-4-7-12-15(10-9-14(18-17)16(12)13)23(21,22)19-11-5-2-1-3-6-11/h4,7-11,19H,1-3,5-6H2,(H,18,20)
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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))		BDBM50155880
PNG
(CHEMBL3781658)
Show SMILES CCN1C(=O)c2cccc3c(ccc1c23)S(=O)(=O)Nc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C20H16N2O5S/c1-2-22-16-10-11-17(14-4-3-5-15(18(14)16)19(22)23)28(26,27)21-13-8-6-12(7-9-13)20(24)25/h3-11,21H,2H2,1H3,(H,24,25)
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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))		BDBM50155943
PNG
(CHEMBL3780906)
Show SMILES CC(C)CN1C(=O)c2cccc3c(ccc1c23)S(=O)(=O)NC1CCCCC1
Show InChI InChI=1S/C21H26N2O3S/c1-14(2)13-23-18-11-12-19(16-9-6-10-17(20(16)18)21(23)24)27(25,26)22-15-7-4-3-5-8-15/h6,9-12,14-15,22H,3-5,7-8,13H2,1-2H3
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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))		BDBM50155884
PNG
(CHEMBL3781607)
Show SMILES CCN1C(=O)c2cccc3c(ccc1c23)S(=O)(=O)NC
Show InChI InChI=1S/C14H14N2O3S/c1-3-16-11-7-8-12(20(18,19)15-2)9-5-4-6-10(13(9)11)14(16)17/h4-8,15H,3H2,1-2H3
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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))		BDBM50155942
PNG
(CHEMBL3780518)
Show SMILES CCCCNS(=O)(=O)c1ccc2N(CC(C)C)C(=O)c3cccc1c23
Show InChI InChI=1S/C19H24N2O3S/c1-4-5-11-20-25(23,24)17-10-9-16-18-14(17)7-6-8-15(18)19(22)21(16)12-13(2)3/h6-10,13,20H,4-5,11-12H2,1-3H3
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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))		BDBM50155946
PNG
(CHEMBL3781304)
Show SMILES CCN1C(=O)c2cccc3c(ccc1c23)S(=O)(=O)NC1CCNC1
Show InChI InChI=1S/C17H19N3O3S/c1-2-20-14-6-7-15(24(22,23)19-11-8-9-18-10-11)12-4-3-5-13(16(12)14)17(20)21/h3-7,11,18-19H,2,8-10H2,1H3
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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))		BDBM50155937
PNG
(CHEMBL3779921)
Show SMILES CN1C(=O)c2cccc3c(ccc1c23)S(=O)(=O)NC1CCCCC1
Show InChI InChI=1S/C18H20N2O3S/c1-20-15-10-11-16(13-8-5-9-14(17(13)15)18(20)21)24(22,23)19-12-6-3-2-4-7-12/h5,8-12,19H,2-4,6-7H2,1H3
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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))		BDBM50155933
PNG
(CHEMBL3780262)
Show SMILES CCN1C(=O)c2cccc3c(ccc1c23)S(=O)(=O)NCCNC(C)=O
Show InChI InChI=1S/C17H19N3O4S/c1-3-20-14-7-8-15(25(23,24)19-10-9-18-11(2)21)12-5-4-6-13(16(12)14)17(20)22/h4-8,19H,3,9-10H2,1-2H3,(H,18,21)
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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))		BDBM50155860
PNG
(CHEMBL3780426)
Show SMILES CCN1C(=O)c2cccc3c(ccc1c23)S(=O)(=O)NCCC1CCCCC1
Show InChI InChI=1S/C21H26N2O3S/c1-2-23-18-11-12-19(16-9-6-10-17(20(16)18)21(23)24)27(25,26)22-14-13-15-7-4-3-5-8-15/h6,9-12,15,22H,2-5,7-8,13-14H2,1H3
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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))		BDBM50155864
PNG
(CHEMBL3780750)
Show SMILES CCN1C(=O)c2cccc3c(NS(=O)(=O)c4cc(Cl)cc(Cl)c4)ccc1c23
Show InChI InChI=1S/C19H14Cl2N2O3S/c1-2-23-17-7-6-16(14-4-3-5-15(18(14)17)19(23)24)22-27(25,26)13-9-11(20)8-12(21)10-13/h3-10,22H,2H2,1H3
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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/an/a 137n/an/an/an/an/a



Guangzhou Institutes of Biomedicine and Health

Curated by ChEMBL


Assay Description
Binding affinity to human His6-tagged BRD4 bromodomain 1 (N44 to E168 residues) expressed in Escherichia coli BL21(DE3) cells by isothermal titration...

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))		BDBM50155861
PNG
(CHEMBL3780381)
Show SMILES CCN1C(=O)c2cccc3c(ccc1c23)S(=O)(=O)NCCCN1CCN(C)CC1
Show InChI InChI=1S/C21H28N4O3S/c1-3-25-18-8-9-19(16-6-4-7-17(20(16)18)21(25)26)29(27,28)22-10-5-11-24-14-12-23(2)13-15-24/h4,6-9,22H,3,5,10-15H2,1-2H3
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n/an/an/a 3.75E+3n/an/an/an/an/a



Guangzhou Institutes of Biomedicine and Health

Curated by ChEMBL


Assay Description
Binding affinity to human His6-tagged BRD4 bromodomain 1 (N44 to E168 residues) expressed in Escherichia coli BL21(DE3) cells by isothermal titration...

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/an/a 1.23E+3n/an/an/an/an/a



Guangzhou Institutes of Biomedicine and Health

Curated by ChEMBL


Assay Description
Binding affinity to human His6-tagged BRD4 bromodomain 1 (N44 to E168 residues) expressed in Escherichia coli BL21(DE3) cells by isothermal titration...

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))		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/an/a 124n/an/an/an/an/a



Guangzhou Institutes of Biomedicine and Health

Curated by ChEMBL


Assay Description
Binding affinity to human His6-tagged BRD4 bromodomain 1 (N44 to E168 residues) expressed in Escherichia coli BL21(DE3) cells by isothermal titration...

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))		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/an/a 218n/an/an/an/an/a



Guangzhou Institutes of Biomedicine and Health

Curated by ChEMBL


Assay Description
Binding affinity to human His6-tagged BRD4 bromodomain 1 (N44 to E168 residues) expressed in Escherichia coli BL21(DE3) cells by isothermal titration...

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))		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/an/a 390n/an/an/an/an/a



Guangzhou Institutes of Biomedicine and Health

Curated by ChEMBL


Assay Description
Binding affinity to human His6-tagged BRD4 bromodomain 1 (N44 to E168 residues) expressed in Escherichia coli BL21(DE3) cells by isothermal titration...

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))		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/an/a 224n/an/an/an/an/a



Guangzhou Institutes of Biomedicine and Health

Curated by ChEMBL


Assay Description
Binding affinity to human His6-tagged BRD4 bromodomain 1 (N44 to E168 residues) expressed in Escherichia coli BL21(DE3) cells by isothermal titration...

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/an/a 2.34E+3n/an/an/an/an/a



Guangzhou Institutes of Biomedicine and Health

Curated by ChEMBL


Assay Description
Binding affinity to human His6-tagged BRD4 bromodomain 1 (N44 to E168 residues) expressed in Escherichia coli BL21(DE3) cells by isothermal titration...

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))		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/an/a 255n/an/an/an/an/a



Guangzhou Institutes of Biomedicine and Health

Curated by ChEMBL


Assay Description
Binding affinity to human His6-tagged BRD4 bromodomain 1 (N44 to E168 residues) expressed in Escherichia coli BL21(DE3) cells by isothermal titration...

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/an/a 421n/an/an/an/an/a



Guangzhou Institutes of Biomedicine and Health

Curated by ChEMBL


Assay Description
Binding affinity to human His6-tagged BRD4 bromodomain 1 (N44 to E168 residues) expressed in Escherichia coli BL21(DE3) cells by isothermal titration...

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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Guangzhou Institutes of Biomedicine and Health

Curated by ChEMBL


Assay Description
Binding affinity to human His6-tagged BRD4 bromodomain 1 (N44 to E168 residues) expressed in Escherichia coli BL21(DE3) cells by isothermal titration...

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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Guangzhou Institutes of Biomedicine and Health

Curated by ChEMBL


Assay Description
Binding affinity to human His6-tagged BRD4 bromodomain 1 (N44 to E168 residues) expressed in Escherichia coli BL21(DE3) cells by isothermal titration...

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
((+)-JQ1 | (S)-JQ1 (1) | CHEMBL1957266 | JQ1 | US10...)
Show SMILES Cc1nnc2[C@H](CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |r,c:14|
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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Guangzhou Institutes of Biomedicine and Health

Curated by ChEMBL


Assay Description
Binding affinity to human His6-tagged BRD4 bromodomain 1 (N44 to E168 residues) expressed in Escherichia coli BL21(DE3) cells by isothermal titration...

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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Guangzhou Institutes of Biomedicine and Health

Curated by ChEMBL


Assay Description
Binding affinity to human His6-tagged BRD4 bromodomain 1 (N44 to E168 residues) expressed in Escherichia coli BL21(DE3) cells by isothermal titration...

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
* indicates data uncertainty>20%