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PubMed code 29172540

Compile data set for download or QSAR
Found 65 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 2


(Homo sapiens (Human))		BDBM50210164
PNG
(CHEMBL2132936)
Show SMILES Cc1nnc2C(CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |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
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n/an/a 17n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-tagged BRD2 bromodomain-2 (339 to 459 residues) expressed in Escherichia coli expression system after ...

J Med Chem 60: 9990-10012 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00275
BindingDB Entry DOI: 10.7270/Q2M32Z68
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))		BDBM50210164
PNG
(CHEMBL2132936)
Show SMILES Cc1nnc2C(CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |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
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n/an/a 17n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-tagged BRD2 bromodomain-2 (339 to 459 residues) expressed in Escherichia coli expression system after ...

J Med Chem 60: 9990-10012 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00275
BindingDB Entry DOI: 10.7270/Q2M32Z68
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))		BDBM50210164
PNG
(CHEMBL2132936)
Show SMILES Cc1nnc2C(CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |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
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n/an/a 26n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human BRD4 bromodomain-1 (342 to 460 residues) expressed in Escherichia coli expression system after 120 mins by TR-FRET as...

J Med Chem 60: 9990-10012 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00275
BindingDB Entry DOI: 10.7270/Q2M32Z68
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))		BDBM50210164
PNG
(CHEMBL2132936)
Show SMILES Cc1nnc2C(CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |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
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n/an/a 59n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-tagged BRD3 bromodomain-1 (29 to 145 residues) expressed in Escherichia coli expression system after 1...

J Med Chem 60: 9990-10012 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00275
BindingDB Entry DOI: 10.7270/Q2M32Z68
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))		BDBM50210164
PNG
(CHEMBL2132936)
Show SMILES Cc1nnc2C(CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |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
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n/an/a 59n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-tagged BRD3 bromodomain-1 (29 to 145 residues) expressed in Escherichia coli expression system after 1...

J Med Chem 60: 9990-10012 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00275
BindingDB Entry DOI: 10.7270/Q2M32Z68
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))		BDBM50210164
PNG
(CHEMBL2132936)
Show SMILES Cc1nnc2C(CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |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
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n/an/a 73n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of His/thioredoxin-tagged human recombinant BRD4 bromodomain-1 (43 to 166 residues) expressed in Escherichia coli BL21 Star (DE3) pre-incu...

J Med Chem 60: 9990-10012 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00275
BindingDB Entry DOI: 10.7270/Q2M32Z68
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))		BDBM50210164
PNG
(CHEMBL2132936)
Show SMILES Cc1nnc2C(CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |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
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n/an/a 76n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human BRD4 bromodomain-1 (49 to 170 residues) expressed in Escherichia coli expression system after 120 mins by TR-FRET ass...

J Med Chem 60: 9990-10012 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00275
BindingDB Entry DOI: 10.7270/Q2M32Z68
More data for this
Ligand-Target Pair
Bromodomain testis-specific protein


(Homo sapiens (Human))		BDBM50210164
PNG
(CHEMBL2132936)
Show SMILES Cc1nnc2C(CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |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
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n/an/a 169n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-tagged BRDT bromodomain-1 (22 to 138 residues) expressed in Escherichia coli expression system after 1...

J Med Chem 60: 9990-10012 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00275
BindingDB Entry DOI: 10.7270/Q2M32Z68
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))		BDBM50251045
PNG
(CHEMBL4077274)
Show SMILES CN1CCc2c(C1)sc1nc([nH]c(=O)c21)-c1cc(C)c(O)c(C)c1
Show InChI InChI=1S/C18H19N3O2S/c1-9-6-11(7-10(2)15(9)22)16-19-17(23)14-12-4-5-21(3)8-13(12)24-18(14)20-16/h6-7,22H,4-5,8H2,1-3H3,(H,19,20,23)
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n/an/a 430n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of His/thioredoxin-tagged human recombinant BRD4 bromodomain-1 (43 to 166 residues) expressed in Escherichia coli BL21 Star (DE3) pre-incu...

J Med Chem 60: 9990-10012 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00275
BindingDB Entry DOI: 10.7270/Q2M32Z68
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))		BDBM50251016
PNG
(CHEMBL4096544)
Show SMILES Cc1cc(cc(C)c1O)-c1nc2sc3CCCCCc3c2c(=O)[nH]1
Show InChI InChI=1S/C19H20N2O2S/c1-10-8-12(9-11(2)16(10)22)17-20-18(23)15-13-6-4-3-5-7-14(13)24-19(15)21-17/h8-9,22H,3-7H2,1-2H3,(H,20,21,23)
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n/an/a 490n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of His/thioredoxin-tagged human recombinant BRD4 bromodomain-1 (43 to 166 residues) expressed in Escherichia coli BL21 Star (DE3) pre-incu...

J Med Chem 60: 9990-10012 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00275
BindingDB Entry DOI: 10.7270/Q2M32Z68
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))		BDBM50251011
PNG
(CHEMBL2397398)
Show SMILES Oc1ccc(cc1)-c1nc2sc3CCCCCc3c2c(=O)[nH]1
Show InChI InChI=1S/C17H16N2O2S/c20-11-8-6-10(7-9-11)15-18-16(21)14-12-4-2-1-3-5-13(12)22-17(14)19-15/h6-9,20H,1-5H2,(H,18,19,21)
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n/an/a 560n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of His/thioredoxin-tagged human recombinant BRD4 bromodomain-1 (43 to 166 residues) expressed in Escherichia coli BL21 Star (DE3) pre-incu...

J Med Chem 60: 9990-10012 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00275
BindingDB Entry DOI: 10.7270/Q2M32Z68
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))		BDBM50251044
PNG
(CHEMBL4067751)
Show SMILES CN1CCc2c(C1)sc1nc([nH]c(=O)c21)-c1ccc(O)cc1
Show InChI InChI=1S/C16H15N3O2S/c1-19-7-6-11-12(8-19)22-16-13(11)15(21)17-14(18-16)9-2-4-10(20)5-3-9/h2-5,20H,6-8H2,1H3,(H,17,18,21)
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n/an/a 720n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of His/thioredoxin-tagged human recombinant BRD4 bromodomain-1 (43 to 166 residues) expressed in Escherichia coli BL21 Star (DE3) pre-incu...

J Med Chem 60: 9990-10012 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00275
BindingDB Entry DOI: 10.7270/Q2M32Z68
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))		BDBM50251055
PNG
(CHEMBL4076059)
Show SMILES COc1cccc(c1)-c1nc2sc3CCCc3c2c(=O)[nH]1
Show InChI InChI=1S/C16H14N2O2S/c1-20-10-5-2-4-9(8-10)14-17-15(19)13-11-6-3-7-12(11)21-16(13)18-14/h2,4-5,8H,3,6-7H2,1H3,(H,17,18,19)
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n/an/a 780n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of His/thioredoxin-tagged human recombinant BRD4 bromodomain-1 (43 to 166 residues) expressed in Escherichia coli BL21 Star (DE3) pre-incu...

J Med Chem 60: 9990-10012 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00275
BindingDB Entry DOI: 10.7270/Q2M32Z68
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))		BDBM50251031
PNG
(CHEMBL4069308)
Show SMILES O=c1[nH]c(Cc2ccccc2)nc2sc3CCCCCc3c12
Show InChI InChI=1S/C18H18N2OS/c21-17-16-13-9-5-2-6-10-14(13)22-18(16)20-15(19-17)11-12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-11H2,(H,19,20,21)
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n/an/a 820n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of His/thioredoxin-tagged human recombinant BRD4 bromodomain-1 (43 to 166 residues) expressed in Escherichia coli BL21 Star (DE3) pre-incu...

J Med Chem 60: 9990-10012 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00275
BindingDB Entry DOI: 10.7270/Q2M32Z68
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))		BDBM50251045
PNG
(CHEMBL4077274)
Show SMILES CN1CCc2c(C1)sc1nc([nH]c(=O)c21)-c1cc(C)c(O)c(C)c1
Show InChI InChI=1S/C18H19N3O2S/c1-9-6-11(7-10(2)15(9)22)16-19-17(23)14-12-4-5-21(3)8-13(12)24-18(14)20-16/h6-7,22H,4-5,8H2,1-3H3,(H,19,20,23)
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n/an/a 930n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human BRD4 bromodomain-1 (342 to 460 residues) expressed in Escherichia coli expression system after 120 mins by TR-FRET as...

J Med Chem 60: 9990-10012 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00275
BindingDB Entry DOI: 10.7270/Q2M32Z68
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))		BDBM50251045
PNG
(CHEMBL4077274)
Show SMILES CN1CCc2c(C1)sc1nc([nH]c(=O)c21)-c1cc(C)c(O)c(C)c1
Show InChI InChI=1S/C18H19N3O2S/c1-9-6-11(7-10(2)15(9)22)16-19-17(23)14-12-4-5-21(3)8-13(12)24-18(14)20-16/h6-7,22H,4-5,8H2,1-3H3,(H,19,20,23)
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n/an/a 930n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human BRD4 bromodomain-1 (342 to 460 residues) expressed in Escherichia coli expression system after 120 mins by TR-FRET as...

J Med Chem 60: 9990-10012 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00275
BindingDB Entry DOI: 10.7270/Q2M32Z68
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))		BDBM50251035
PNG
(CHEMBL4087922)
Show SMILES CC1CCc2c(C1)sc1nc([nH]c(=O)c21)-c1cccc(Br)c1
Show InChI InChI=1S/C17H15BrN2OS/c1-9-5-6-12-13(7-9)22-17-14(12)16(21)19-15(20-17)10-3-2-4-11(18)8-10/h2-4,8-9H,5-7H2,1H3,(H,19,20,21)
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n/an/a 1.02E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of His/thioredoxin-tagged human recombinant BRD4 bromodomain-1 (43 to 166 residues) expressed in Escherichia coli BL21 Star (DE3) pre-incu...

J Med Chem 60: 9990-10012 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00275
BindingDB Entry DOI: 10.7270/Q2M32Z68
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))		BDBM50251043
PNG
(CHEMBL4077019)
Show SMILES CN1CCc2c(C1)sc1nc([nH]c(=O)c21)-c1cccc(Br)c1
Show InChI InChI=1S/C16H14BrN3OS/c1-20-6-5-11-12(8-20)22-16-13(11)15(21)18-14(19-16)9-3-2-4-10(17)7-9/h2-4,7H,5-6,8H2,1H3,(H,18,19,21)
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n/an/a 1.04E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of His/thioredoxin-tagged human recombinant BRD4 bromodomain-1 (43 to 166 residues) expressed in Escherichia coli BL21 Star (DE3) pre-incu...

J Med Chem 60: 9990-10012 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00275
BindingDB Entry DOI: 10.7270/Q2M32Z68
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))		BDBM50250969
PNG
(CHEMBL4078743)
Show SMILES FC(F)(F)c1ccc(cc1)-c1nc2sc3CCCc3c2c(=O)[nH]1
Show InChI InChI=1S/C16H11F3N2OS/c17-16(18,19)9-6-4-8(5-7-9)13-20-14(22)12-10-2-1-3-11(10)23-15(12)21-13/h4-7H,1-3H2,(H,20,21,22)
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n/an/a 1.53E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of His/thioredoxin-tagged human recombinant BRD4 bromodomain-1 (43 to 166 residues) expressed in Escherichia coli BL21 Star (DE3) pre-incu...

J Med Chem 60: 9990-10012 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00275
BindingDB Entry DOI: 10.7270/Q2M32Z68
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))		BDBM50251041
PNG
(CHEMBL4062624)
Show SMILES COc1cccc(c1)-c1nc2sc3CN(C)CCc3c2c(=O)[nH]1
Show InChI InChI=1S/C17H17N3O2S/c1-20-7-6-12-13(9-20)23-17-14(12)16(21)18-15(19-17)10-4-3-5-11(8-10)22-2/h3-5,8H,6-7,9H2,1-2H3,(H,18,19,21)
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n/an/a 2.47E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of His/thioredoxin-tagged human recombinant BRD4 bromodomain-1 (43 to 166 residues) expressed in Escherichia coli BL21 Star (DE3) pre-incu...

J Med Chem 60: 9990-10012 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00275
BindingDB Entry DOI: 10.7270/Q2M32Z68
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))		BDBM50251063
PNG
(CHEMBL4093043)
Show SMILES CC1CCc2c(C1)sc1nc([nH]c(=O)c21)-c1cc(C)c(O)c(C)c1
Show InChI InChI=1S/C19H20N2O2S/c1-9-4-5-13-14(6-9)24-19-15(13)18(23)20-17(21-19)12-7-10(2)16(22)11(3)8-12/h7-9,22H,4-6H2,1-3H3,(H,20,21,23)
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n/an/a 3.24E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of His/thioredoxin-tagged human recombinant BRD4 bromodomain-1 (43 to 166 residues) expressed in Escherichia coli BL21 Star (DE3) pre-incu...

J Med Chem 60: 9990-10012 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00275
BindingDB Entry DOI: 10.7270/Q2M32Z68
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))		BDBM50251010
PNG
(CHEMBL4098993)
Show SMILES Oc1cccc(c1)-c1nc2sc3CCCCCc3c2c(=O)[nH]1
Show InChI InChI=1S/C17H16N2O2S/c20-11-6-4-5-10(9-11)15-18-16(21)14-12-7-2-1-3-8-13(12)22-17(14)19-15/h4-6,9,20H,1-3,7-8H2,(H,18,19,21)
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n/an/a 3.98E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of His/thioredoxin-tagged human recombinant BRD4 bromodomain-1 (43 to 166 residues) expressed in Escherichia coli BL21 Star (DE3) pre-incu...

J Med Chem 60: 9990-10012 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00275
BindingDB Entry DOI: 10.7270/Q2M32Z68
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))		BDBM50251037
PNG
(CHEMBL4066449)
Show SMILES CC1CCc2c(C1)sc1nc([nH]c(=O)c21)-c1ccc(O)cc1
Show InChI InChI=1S/C17H16N2O2S/c1-9-2-7-12-13(8-9)22-17-14(12)16(21)18-15(19-17)10-3-5-11(20)6-4-10/h3-6,9,20H,2,7-8H2,1H3,(H,18,19,21)
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n/an/a 4.31E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of His/thioredoxin-tagged human recombinant BRD4 bromodomain-1 (43 to 166 residues) expressed in Escherichia coli BL21 Star (DE3) pre-incu...

J Med Chem 60: 9990-10012 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00275
BindingDB Entry DOI: 10.7270/Q2M32Z68
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))		BDBM50251009
PNG
(CHEMBL4080969)
Show SMILES Brc1cccc(c1)-c1nc2sc3CCCCCc3c2c(=O)[nH]1
Show InChI InChI=1S/C17H15BrN2OS/c18-11-6-4-5-10(9-11)15-19-16(21)14-12-7-2-1-3-8-13(12)22-17(14)20-15/h4-6,9H,1-3,7-8H2,(H,19,20,21)
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n/an/a 5.73E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of His/thioredoxin-tagged human recombinant BRD4 bromodomain-1 (43 to 166 residues) expressed in Escherichia coli BL21 Star (DE3) pre-incu...

J Med Chem 60: 9990-10012 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00275
BindingDB Entry DOI: 10.7270/Q2M32Z68
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))		BDBM50250968
PNG
(CHEMBL4075573)
Show SMILES Oc1ccc(cc1)-c1nc2sc3CN(Cc4ccccc4)CCc3c2c(=O)[nH]1
Show InChI InChI=1S/C22H19N3O2S/c26-16-8-6-15(7-9-16)20-23-21(27)19-17-10-11-25(12-14-4-2-1-3-5-14)13-18(17)28-22(19)24-20/h1-9,26H,10-13H2,(H,23,24,27)
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n/an/a 6.37E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of His/thioredoxin-tagged human recombinant BRD4 bromodomain-1 (43 to 166 residues) expressed in Escherichia coli BL21 Star (DE3) pre-incu...

J Med Chem 60: 9990-10012 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00275
BindingDB Entry DOI: 10.7270/Q2M32Z68
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))		BDBM50250972
PNG
(CHEMBL4080510)
Show SMILES Cc1cc(cc(C)c1O)-c1nc2sc3CCCc3c2c(=O)[nH]1
Show InChI InChI=1S/C17H16N2O2S/c1-8-6-10(7-9(2)14(8)20)15-18-16(21)13-11-4-3-5-12(11)22-17(13)19-15/h6-7,20H,3-5H2,1-2H3,(H,18,19,21)
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n/an/a 6.38E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of His/thioredoxin-tagged human recombinant BRD4 bromodomain-1 (43 to 166 residues) expressed in Escherichia coli BL21 Star (DE3) pre-incu...

J Med Chem 60: 9990-10012 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00275
BindingDB Entry DOI: 10.7270/Q2M32Z68
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))		BDBM50251075
PNG
(CHEMBL4069813)
Show SMILES Cc1cc(cc(C)c1O)-c1nc2sc3CCCCc3c2c(=O)[nH]1
Show InChI InChI=1S/C18H18N2O2S/c1-9-7-11(8-10(2)15(9)21)16-19-17(22)14-12-5-3-4-6-13(12)23-18(14)20-16/h7-8,21H,3-6H2,1-2H3,(H,19,20,22)
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n/an/a 6.93E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of His/thioredoxin-tagged human recombinant BRD4 bromodomain-1 (43 to 166 residues) expressed in Escherichia coli BL21 Star (DE3) pre-incu...

J Med Chem 60: 9990-10012 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00275
BindingDB Entry DOI: 10.7270/Q2M32Z68
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))		BDBM50373172
PNG
(C-6474572 | CHEMBL265438)
Show SMILES Oc1ccc(cc1)-c1nc2sc3CCCCc3c2c(=O)[nH]1
Show InChI InChI=1S/C16H14N2O2S/c19-10-7-5-9(6-8-10)14-17-15(20)13-11-3-1-2-4-12(11)21-16(13)18-14/h5-8,19H,1-4H2,(H,17,18,20)
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n/an/a 7.32E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of His/thioredoxin-tagged human recombinant BRD4 bromodomain-1 (43 to 166 residues) expressed in Escherichia coli BL21 Star (DE3) pre-incu...

J Med Chem 60: 9990-10012 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00275
BindingDB Entry DOI: 10.7270/Q2M32Z68
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))		BDBM50251018
PNG
(CHEMBL4073738)
Show SMILES CCCc1cc2c(nc([nH]c2=O)-c2ccc(O)cc2)s1
Show InChI InChI=1S/C15H14N2O2S/c1-2-3-11-8-12-14(19)16-13(17-15(12)20-11)9-4-6-10(18)7-5-9/h4-8,18H,2-3H2,1H3,(H,16,17,19)
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n/an/a 8.59E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of His/thioredoxin-tagged human recombinant BRD4 bromodomain-1 (43 to 166 residues) expressed in Escherichia coli BL21 Star (DE3) pre-incu...

J Med Chem 60: 9990-10012 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00275
BindingDB Entry DOI: 10.7270/Q2M32Z68
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))		BDBM50251073
PNG
(CHEMBL4069975)
Show SMILES Brc1ccc(cc1)-c1nc2sc3CCCc3c2c(=O)[nH]1
Show InChI InChI=1S/C15H11BrN2OS/c16-9-6-4-8(5-7-9)13-17-14(19)12-10-2-1-3-11(10)20-15(12)18-13/h4-7H,1-3H2,(H,17,18,19)
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n/an/a 8.94E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of His/thioredoxin-tagged human recombinant BRD4 bromodomain-1 (43 to 166 residues) expressed in Escherichia coli BL21 Star (DE3) pre-incu...

J Med Chem 60: 9990-10012 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00275
BindingDB Entry DOI: 10.7270/Q2M32Z68
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))		BDBM50251064
PNG
(CHEMBL4075782)
Show SMILES CC1CCc2c(C1)sc1nc(Cc3ccc(cc3)-c3ccccc3)[nH]c(=O)c21
Show InChI InChI=1S/C24H22N2OS/c1-15-7-12-19-20(13-15)28-24-22(19)23(27)25-21(26-24)14-16-8-10-18(11-9-16)17-5-3-2-4-6-17/h2-6,8-11,15H,7,12-14H2,1H3,(H,25,26,27)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of His/thioredoxin-tagged human recombinant BRD4 bromodomain-1 (43 to 166 residues) expressed in Escherichia coli BL21 Star (DE3) pre-incu...

J Med Chem 60: 9990-10012 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00275
BindingDB Entry DOI: 10.7270/Q2M32Z68
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))		BDBM50250993
PNG
(CHEMBL4066097)
Show SMILES COc1cccc(c1)-c1nc2sc3CCCCc3c2c(=O)[nH]1
Show InChI InChI=1S/C17H16N2O2S/c1-21-11-6-4-5-10(9-11)15-18-16(20)14-12-7-2-3-8-13(12)22-17(14)19-15/h4-6,9H,2-3,7-8H2,1H3,(H,18,19,20)
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Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of His/thioredoxin-tagged human recombinant BRD4 bromodomain-1 (43 to 166 residues) expressed in Escherichia coli BL21 Star (DE3) pre-incu...

J Med Chem 60: 9990-10012 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00275
BindingDB Entry DOI: 10.7270/Q2M32Z68
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))		BDBM50251052
PNG
(CHEMBL4078807)
Show SMILES Cc1cc(cc(C)c1O)-c1nc2sc3CN(Cc4ccccc4)CCc3c2c(=O)[nH]1
Show InChI InChI=1S/C24H23N3O2S/c1-14-10-17(11-15(2)21(14)28)22-25-23(29)20-18-8-9-27(12-16-6-4-3-5-7-16)13-19(18)30-24(20)26-22/h3-7,10-11,28H,8-9,12-13H2,1-2H3,(H,25,26,29)
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Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of His/thioredoxin-tagged human recombinant BRD4 bromodomain-1 (43 to 166 residues) expressed in Escherichia coli BL21 Star (DE3) pre-incu...

J Med Chem 60: 9990-10012 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00275
BindingDB Entry DOI: 10.7270/Q2M32Z68
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))		BDBM50251074
PNG
(CHEMBL4088370)
Show SMILES FC(F)(F)c1ccc(cc1)-c1nc2sc3CCCCc3c2c(=O)[nH]1
Show InChI InChI=1S/C17H13F3N2OS/c18-17(19,20)10-7-5-9(6-8-10)14-21-15(23)13-11-3-1-2-4-12(11)24-16(13)22-14/h5-8H,1-4H2,(H,21,22,23)
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Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of His/thioredoxin-tagged human recombinant BRD4 bromodomain-1 (43 to 166 residues) expressed in Escherichia coli BL21 Star (DE3) pre-incu...

J Med Chem 60: 9990-10012 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00275
BindingDB Entry DOI: 10.7270/Q2M32Z68
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))		BDBM50250970
PNG
(CHEMBL4089570)
Show SMILES Brc1cccc(c1)-c1nc2sc3CCCc3c2c(=O)[nH]1
Show InChI InChI=1S/C15H11BrN2OS/c16-9-4-1-3-8(7-9)13-17-14(19)12-10-5-2-6-11(10)20-15(12)18-13/h1,3-4,7H,2,5-6H2,(H,17,18,19)
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Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of His/thioredoxin-tagged human recombinant BRD4 bromodomain-1 (43 to 166 residues) expressed in Escherichia coli BL21 Star (DE3) pre-incu...

J Med Chem 60: 9990-10012 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00275
BindingDB Entry DOI: 10.7270/Q2M32Z68
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))		BDBM50251017
PNG
(CHEMBL4094339)
Show SMILES CCCc1cc2c(nc([nH]c2=O)-c2cccc(Br)c2)s1
Show InChI InChI=1S/C15H13BrN2OS/c1-2-4-11-8-12-14(19)17-13(18-15(12)20-11)9-5-3-6-10(16)7-9/h3,5-8H,2,4H2,1H3,(H,17,18,19)
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Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of His/thioredoxin-tagged human recombinant BRD4 bromodomain-1 (43 to 166 residues) expressed in Escherichia coli BL21 Star (DE3) pre-incu...

J Med Chem 60: 9990-10012 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00275
BindingDB Entry DOI: 10.7270/Q2M32Z68
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))		BDBM50251019
PNG
(CHEMBL4086588)
Show SMILES CCCc1cc2c(nc(Cc3ccc(cc3)-c3ccccc3)[nH]c2=O)s1
Show InChI InChI=1S/C22H20N2OS/c1-2-6-18-14-19-21(25)23-20(24-22(19)26-18)13-15-9-11-17(12-10-15)16-7-4-3-5-8-16/h3-5,7-12,14H,2,6,13H2,1H3,(H,23,24,25)
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Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of His/thioredoxin-tagged human recombinant BRD4 bromodomain-1 (43 to 166 residues) expressed in Escherichia coli BL21 Star (DE3) pre-incu...

J Med Chem 60: 9990-10012 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00275
BindingDB Entry DOI: 10.7270/Q2M32Z68
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))		BDBM50251053
PNG
(CHEMBL4075032)
Show SMILES O=c1[nH]c(nc2sc3CN(Cc4ccccc4)CCc3c12)-c1ccccc1
Show InChI InChI=1S/C22H19N3OS/c26-21-19-17-11-12-25(13-15-7-3-1-4-8-15)14-18(17)27-22(19)24-20(23-21)16-9-5-2-6-10-16/h1-10H,11-14H2,(H,23,24,26)
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Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of His/thioredoxin-tagged human recombinant BRD4 bromodomain-1 (43 to 166 residues) expressed in Escherichia coli BL21 Star (DE3) pre-incu...

J Med Chem 60: 9990-10012 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00275
BindingDB Entry DOI: 10.7270/Q2M32Z68
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))		BDBM50251071
PNG
(CHEMBL4105028)
Show SMILES CN1CCc2c(C1)sc1nc(Cc3ccc(cc3)-c3ccccc3)[nH]c(=O)c21
Show InChI InChI=1S/C23H21N3OS/c1-26-12-11-18-19(14-26)28-23-21(18)22(27)24-20(25-23)13-15-7-9-17(10-8-15)16-5-3-2-4-6-16/h2-10H,11-14H2,1H3,(H,24,25,27)
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Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of His/thioredoxin-tagged human recombinant BRD4 bromodomain-1 (43 to 166 residues) expressed in Escherichia coli BL21 Star (DE3) pre-incu...

J Med Chem 60: 9990-10012 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00275
BindingDB Entry DOI: 10.7270/Q2M32Z68
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))		BDBM50251033
PNG
(CHEMBL4066604)
Show SMILES CC1CCc2c(C1)sc1nc([nH]c(=O)c21)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C18H15F3N2OS/c1-9-2-7-12-13(8-9)25-17-14(12)16(24)22-15(23-17)10-3-5-11(6-4-10)18(19,20)21/h3-6,9H,2,7-8H2,1H3,(H,22,23,24)
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Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of His/thioredoxin-tagged human recombinant BRD4 bromodomain-1 (43 to 166 residues) expressed in Escherichia coli BL21 Star (DE3) pre-incu...

J Med Chem 60: 9990-10012 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00275
BindingDB Entry DOI: 10.7270/Q2M32Z68
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))		BDBM50251072
PNG
(CHEMBL4099167)
Show SMILES FC(F)(F)c1ccc(cc1)-c1nc2sc3CN(Cc4ccccc4)CCc3c2c(=O)[nH]1
Show InChI InChI=1S/C23H18F3N3OS/c24-23(25,26)16-8-6-15(7-9-16)20-27-21(30)19-17-10-11-29(12-14-4-2-1-3-5-14)13-18(17)31-22(19)28-20/h1-9H,10-13H2,(H,27,28,30)
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Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of His/thioredoxin-tagged human recombinant BRD4 bromodomain-1 (43 to 166 residues) expressed in Escherichia coli BL21 Star (DE3) pre-incu...

J Med Chem 60: 9990-10012 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00275
BindingDB Entry DOI: 10.7270/Q2M32Z68
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(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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Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of His/thioredoxin-tagged human recombinant BRD4 bromodomain-1 (43 to 166 residues) expressed in Escherichia coli BL21 Star (DE3) pre-incu...

J Med Chem 60: 9990-10012 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00275
BindingDB Entry DOI: 10.7270/Q2M32Z68
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))		BDBM50250991
PNG
(CHEMBL3967244)
Show SMILES Oc1nc(nc2sc3CCCCc3c12)-c1ccccc1
Show InChI InChI=1S/C16H14N2OS/c19-15-13-11-8-4-5-9-12(11)20-16(13)18-14(17-15)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,17,18,19)
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Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of His/thioredoxin-tagged human recombinant BRD4 bromodomain-1 (43 to 166 residues) expressed in Escherichia coli BL21 Star (DE3) pre-incu...

J Med Chem 60: 9990-10012 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00275
BindingDB Entry DOI: 10.7270/Q2M32Z68
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))		BDBM50250992
PNG
(CHEMBL4090808)
Show SMILES Fc1ccc(c(F)c1)-c1nc2sc3CCCCc3c2c(=O)[nH]1
Show InChI InChI=1S/C16H12F2N2OS/c17-8-5-6-9(11(18)7-8)14-19-15(21)13-10-3-1-2-4-12(10)22-16(13)20-14/h5-7H,1-4H2,(H,19,20,21)
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Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of His/thioredoxin-tagged human recombinant BRD4 bromodomain-1 (43 to 166 residues) expressed in Escherichia coli BL21 Star (DE3) pre-incu...

J Med Chem 60: 9990-10012 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00275
BindingDB Entry DOI: 10.7270/Q2M32Z68
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))		BDBM50251036
PNG
(CHEMBL4101724)
Show SMILES CC1CCc2c(C1)sc1nc([nH]c(=O)c21)-c1cccc(O)c1
Show InChI InChI=1S/C17H16N2O2S/c1-9-5-6-12-13(7-9)22-17-14(12)16(21)18-15(19-17)10-3-2-4-11(20)8-10/h2-4,8-9,20H,5-7H2,1H3,(H,18,19,21)
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Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of His/thioredoxin-tagged human recombinant BRD4 bromodomain-1 (43 to 166 residues) expressed in Escherichia coli BL21 Star (DE3) pre-incu...

J Med Chem 60: 9990-10012 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00275
BindingDB Entry DOI: 10.7270/Q2M32Z68
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))		BDBM50251040
PNG
(CHEMBL4085300)
Show SMILES CC1CCc2c(C1)sc1nc(Cc3ccccc3)[nH]c(=O)c21
Show InChI InChI=1S/C18H18N2OS/c1-11-7-8-13-14(9-11)22-18-16(13)17(21)19-15(20-18)10-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,19,20,21)
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Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of His/thioredoxin-tagged human recombinant BRD4 bromodomain-1 (43 to 166 residues) expressed in Escherichia coli BL21 Star (DE3) pre-incu...

J Med Chem 60: 9990-10012 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00275
BindingDB Entry DOI: 10.7270/Q2M32Z68
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))		BDBM50251054
PNG
(CHEMBL4084098)
Show SMILES CCCc1cc2c(nc([nH]c2=O)-c2cccc(OC)c2)s1
Show InChI InChI=1S/C16H16N2O2S/c1-3-5-12-9-13-15(19)17-14(18-16(13)21-12)10-6-4-7-11(8-10)20-2/h4,6-9H,3,5H2,1-2H3,(H,17,18,19)
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Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of His/thioredoxin-tagged human recombinant BRD4 bromodomain-1 (43 to 166 residues) expressed in Escherichia coli BL21 Star (DE3) pre-incu...

J Med Chem 60: 9990-10012 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00275
BindingDB Entry DOI: 10.7270/Q2M32Z68
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))		BDBM50251062
PNG
(CHEMBL4075041)
Show SMILES CC1CCc2c(C1)sc1nc([nH]c(=O)c21)-c1cc(F)c(F)c(F)c1
Show InChI InChI=1S/C17H13F3N2OS/c1-7-2-3-9-12(4-7)24-17-13(9)16(23)21-15(22-17)8-5-10(18)14(20)11(19)6-8/h5-7H,2-4H2,1H3,(H,21,22,23)
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Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of His/thioredoxin-tagged human recombinant BRD4 bromodomain-1 (43 to 166 residues) expressed in Escherichia coli BL21 Star (DE3) pre-incu...

J Med Chem 60: 9990-10012 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00275
BindingDB Entry DOI: 10.7270/Q2M32Z68
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))		BDBM50251061
PNG
(CHEMBL597987)
Show SMILES COc1cccc(c1)-c1nc(=O)c2c3CCC(C)Cc3sc2[nH]1
Show InChI InChI=1S/C18H18N2O2S/c1-10-6-7-13-14(8-10)23-18-15(13)17(21)19-16(20-18)11-4-3-5-12(9-11)22-2/h3-5,9-10H,6-8H2,1-2H3,(H,19,20,21)
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Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of His/thioredoxin-tagged human recombinant BRD4 bromodomain-1 (43 to 166 residues) expressed in Escherichia coli BL21 Star (DE3) pre-incu...

J Med Chem 60: 9990-10012 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00275
BindingDB Entry DOI: 10.7270/Q2M32Z68
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))		BDBM50251039
PNG
(CHEMBL4072287)
Show SMILES CC1CCc2c(C1)sc1nc([nH]c(=O)c21)-c1ccccc1
Show InChI InChI=1S/C17H16N2OS/c1-10-7-8-12-13(9-10)21-17-14(12)16(20)18-15(19-17)11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,18,19,20)
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Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of His/thioredoxin-tagged human recombinant BRD4 bromodomain-1 (43 to 166 residues) expressed in Escherichia coli BL21 Star (DE3) pre-incu...

J Med Chem 60: 9990-10012 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00275
BindingDB Entry DOI: 10.7270/Q2M32Z68
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))		BDBM50250988
PNG
(CHEMBL4060135)
Show SMILES Brc1ccc(cc1)-c1nc2sc3CCCCc3c2c(=O)[nH]1
Show InChI InChI=1S/C16H13BrN2OS/c17-10-7-5-9(6-8-10)14-18-15(20)13-11-3-1-2-4-12(11)21-16(13)19-14/h5-8H,1-4H2,(H,18,19,20)
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Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of His/thioredoxin-tagged human recombinant BRD4 bromodomain-1 (43 to 166 residues) expressed in Escherichia coli BL21 Star (DE3) pre-incu...

J Med Chem 60: 9990-10012 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00275
BindingDB Entry DOI: 10.7270/Q2M32Z68
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))		BDBM50251038
PNG
(CHEMBL4093992)
Show SMILES CC1CCc2c(C1)sc1nc([nH]c(=O)c21)-c1ccc(Br)cc1
Show InChI InChI=1S/C17H15BrN2OS/c1-9-2-7-12-13(8-9)22-17-14(12)16(21)19-15(20-17)10-3-5-11(18)6-4-10/h3-6,9H,2,7-8H2,1H3,(H,19,20,21)
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Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of His/thioredoxin-tagged human recombinant BRD4 bromodomain-1 (43 to 166 residues) expressed in Escherichia coli BL21 Star (DE3) pre-incu...

J Med Chem 60: 9990-10012 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00275
BindingDB Entry DOI: 10.7270/Q2M32Z68
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))		BDBM50251032
PNG
(CHEMBL4104274)
Show SMILES O=c1[nH]c(Cc2ccc(cc2)-c2ccccc2)nc2sc3CCCCCc3c12
Show InChI InChI=1S/C24H22N2OS/c27-23-22-19-9-5-2-6-10-20(19)28-24(22)26-21(25-23)15-16-11-13-18(14-12-16)17-7-3-1-4-8-17/h1,3-4,7-8,11-14H,2,5-6,9-10,15H2,(H,25,26,27)
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Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of His/thioredoxin-tagged human recombinant BRD4 bromodomain-1 (43 to 166 residues) expressed in Escherichia coli BL21 Star (DE3) pre-incu...

J Med Chem 60: 9990-10012 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00275
BindingDB Entry DOI: 10.7270/Q2M32Z68
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))		BDBM50250974
PNG
(CHEMBL4098530)
Show SMILES O=c1[nH]c(nc2sc3CCCc3c12)-c1ccccc1
Show InChI InChI=1S/C15H12N2OS/c18-14-12-10-7-4-8-11(10)19-15(12)17-13(16-14)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,16,17,18)
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Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of His/thioredoxin-tagged human recombinant BRD4 bromodomain-1 (43 to 166 residues) expressed in Escherichia coli BL21 Star (DE3) pre-incu...

J Med Chem 60: 9990-10012 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00275
BindingDB Entry DOI: 10.7270/Q2M32Z68
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))		BDBM50251082
PNG
(CHEMBL4060632)
Show SMILES Brc1ccc(cc1)-c1nc2sc3CCCCCc3c2c(=O)[nH]1
Show InChI InChI=1S/C17H15BrN2OS/c18-11-8-6-10(7-9-11)15-19-16(21)14-12-4-2-1-3-5-13(12)22-17(14)20-15/h6-9H,1-5H2,(H,19,20,21)
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Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of His/thioredoxin-tagged human recombinant BRD4 bromodomain-1 (43 to 166 residues) expressed in Escherichia coli BL21 Star (DE3) pre-incu...

J Med Chem 60: 9990-10012 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00275
BindingDB Entry DOI: 10.7270/Q2M32Z68
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))		BDBM50251076
PNG
(CHEMBL2397397)
Show SMILES FC(F)(F)c1ccc(cc1)-c1nc2sc3CCCCCc3c2c(=O)[nH]1
Show InChI InChI=1S/C18H15F3N2OS/c19-18(20,21)11-8-6-10(7-9-11)15-22-16(24)14-12-4-2-1-3-5-13(12)25-17(14)23-15/h6-9H,1-5H2,(H,22,23,24)
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Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of His/thioredoxin-tagged human recombinant BRD4 bromodomain-1 (43 to 166 residues) expressed in Escherichia coli BL21 Star (DE3) pre-incu...

J Med Chem 60: 9990-10012 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00275
BindingDB Entry DOI: 10.7270/Q2M32Z68
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))		BDBM50251065
PNG
(CHEMBL4060086)
Show SMILES CN1CCc2c(C1)sc1nc([nH]c(=O)c21)-c1cccc(O)c1
Show InChI InChI=1S/C16H15N3O2S/c1-19-6-5-11-12(8-19)22-16-13(11)15(21)17-14(18-16)9-3-2-4-10(20)7-9/h2-4,7,20H,5-6,8H2,1H3,(H,17,18,21)
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Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of His/thioredoxin-tagged human recombinant BRD4 bromodomain-1 (43 to 166 residues) expressed in Escherichia coli BL21 Star (DE3) pre-incu...

J Med Chem 60: 9990-10012 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00275
BindingDB Entry DOI: 10.7270/Q2M32Z68
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))		BDBM50250971
PNG
(CHEMBL4064107)
Show SMILES O=c1[nH]c(Cc2ccccc2)nc2sc3CCCc3c12
Show InChI InChI=1S/C16H14N2OS/c19-15-14-11-7-4-8-12(11)20-16(14)18-13(17-15)9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2,(H,17,18,19)
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Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of His/thioredoxin-tagged human recombinant BRD4 bromodomain-1 (43 to 166 residues) expressed in Escherichia coli BL21 Star (DE3) pre-incu...

J Med Chem 60: 9990-10012 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00275
BindingDB Entry DOI: 10.7270/Q2M32Z68
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))		BDBM50251042
PNG
(CHEMBL4090589)
Show SMILES CN1CCc2c(C1)sc1nc([nH]c(=O)c21)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3OS/c1-23-7-6-11-12(8-23)25-16-13(11)15(24)21-14(22-16)9-2-4-10(5-3-9)17(18,19)20/h2-5H,6-8H2,1H3,(H,21,22,24)
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Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of His/thioredoxin-tagged human recombinant BRD4 bromodomain-1 (43 to 166 residues) expressed in Escherichia coli BL21 Star (DE3) pre-incu...

J Med Chem 60: 9990-10012 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00275
BindingDB Entry DOI: 10.7270/Q2M32Z68
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))		BDBM50251046
PNG
(CHEMBL4060565)
Show SMILES COc1cccc(c1)-c1nc2sc3CN(Cc4ccccc4)CCc3c2c(=O)[nH]1
Show InChI InChI=1S/C23H21N3O2S/c1-28-17-9-5-8-16(12-17)21-24-22(27)20-18-10-11-26(13-15-6-3-2-4-7-15)14-19(18)29-23(20)25-21/h2-9,12H,10-11,13-14H2,1H3,(H,24,25,27)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of His/thioredoxin-tagged human recombinant BRD4 bromodomain-1 (43 to 166 residues) expressed in Escherichia coli BL21 Star (DE3) pre-incu...

J Med Chem 60: 9990-10012 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00275
BindingDB Entry DOI: 10.7270/Q2M32Z68
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))		BDBM50251045
PNG
(CHEMBL4077274)
Show SMILES CN1CCc2c(C1)sc1nc([nH]c(=O)c21)-c1cc(C)c(O)c(C)c1
Show InChI InChI=1S/C18H19N3O2S/c1-9-6-11(7-10(2)15(9)22)16-19-17(23)14-12-4-5-21(3)8-13(12)24-18(14)20-16/h6-7,22H,4-5,8H2,1-3H3,(H,19,20,23)
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n/an/a 2.46E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-tagged BRD2 bromodomain-2 (339 to 459 residues) expressed in Escherichia coli expression system after ...

J Med Chem 60: 9990-10012 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00275
BindingDB Entry DOI: 10.7270/Q2M32Z68
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))		BDBM50251045
PNG
(CHEMBL4077274)
Show SMILES CN1CCc2c(C1)sc1nc([nH]c(=O)c21)-c1cc(C)c(O)c(C)c1
Show InChI InChI=1S/C18H19N3O2S/c1-9-6-11(7-10(2)15(9)22)16-19-17(23)14-12-4-5-21(3)8-13(12)24-18(14)20-16/h6-7,22H,4-5,8H2,1-3H3,(H,19,20,23)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-tagged BRD3 bromodomain-1 (29 to 145 residues) expressed in Escherichia coli expression system after 1...

J Med Chem 60: 9990-10012 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00275
BindingDB Entry DOI: 10.7270/Q2M32Z68
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))		BDBM50251045
PNG
(CHEMBL4077274)
Show SMILES CN1CCc2c(C1)sc1nc([nH]c(=O)c21)-c1cc(C)c(O)c(C)c1
Show InChI InChI=1S/C18H19N3O2S/c1-9-6-11(7-10(2)15(9)22)16-19-17(23)14-12-4-5-21(3)8-13(12)24-18(14)20-16/h6-7,22H,4-5,8H2,1-3H3,(H,19,20,23)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-tagged BRD2 bromodomain-2 (339 to 459 residues) expressed in Escherichia coli expression system after ...

J Med Chem 60: 9990-10012 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00275
BindingDB Entry DOI: 10.7270/Q2M32Z68
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))		BDBM50251045
PNG
(CHEMBL4077274)
Show SMILES CN1CCc2c(C1)sc1nc([nH]c(=O)c21)-c1cc(C)c(O)c(C)c1
Show InChI InChI=1S/C18H19N3O2S/c1-9-6-11(7-10(2)15(9)22)16-19-17(23)14-12-4-5-21(3)8-13(12)24-18(14)20-16/h6-7,22H,4-5,8H2,1-3H3,(H,19,20,23)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-tagged BRD3 bromodomain-1 (29 to 145 residues) expressed in Escherichia coli expression system after 1...

J Med Chem 60: 9990-10012 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00275
BindingDB Entry DOI: 10.7270/Q2M32Z68
More data for this
Ligand-Target Pair
Bromodomain testis-specific protein


(Homo sapiens (Human))		BDBM50251045
PNG
(CHEMBL4077274)
Show SMILES CN1CCc2c(C1)sc1nc([nH]c(=O)c21)-c1cc(C)c(O)c(C)c1
Show InChI InChI=1S/C18H19N3O2S/c1-9-6-11(7-10(2)15(9)22)16-19-17(23)14-12-4-5-21(3)8-13(12)24-18(14)20-16/h6-7,22H,4-5,8H2,1-3H3,(H,19,20,23)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-tagged BRDT bromodomain-1 (22 to 138 residues) expressed in Escherichia coli expression system after 1...

J Med Chem 60: 9990-10012 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00275
BindingDB Entry DOI: 10.7270/Q2M32Z68
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%