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Compile Data Set for Download or QSAR

Found 59 hits with Last Name = 'voitovich' and Initial = 'y'   
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))
BDBM50465543
PNG
(CHEMBL4278778)
Show SMILES CCn1cnc2n(Cc3ccc(CNS(=O)(=O)c4ccc5NC(=O)CCCc5c4)cc3)c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C25H26N6O5S/c1-2-30-15-26-23-22(30)24(33)29-25(34)31(23)14-17-8-6-16(7-9-17)13-27-37(35,36)19-10-11-20-18(12-19)4-3-5-21(32)28-20/h6-12,15,27H,2-5,13-14H2,1H3,(H,28,32)(H,29,33,34)
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n/an/a 251n/an/an/an/an/an/a



Aix-Marseille University

Curated by ChEMBL


Assay Description
Inhibition of TEV cleavage site-fused-GST tagged BRD4(BD1) (unknown origin) using SGRGK(Ac)CGK(Ac)-GLGK(Ac)GGAK(Ac)RHRKVG-peptide after 3 hrs by HTRF...


J Med Chem 61: 5719-5732 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00653
BindingDB Entry DOI: 10.7270/Q2Q52S95
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50465543
PNG
(CHEMBL4278778)
Show SMILES CCn1cnc2n(Cc3ccc(CNS(=O)(=O)c4ccc5NC(=O)CCCc5c4)cc3)c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C25H26N6O5S/c1-2-30-15-26-23-22(30)24(33)29-25(34)31(23)14-17-8-6-16(7-9-17)13-27-37(35,36)19-10-11-20-18(12-19)4-3-5-21(32)28-20/h6-12,15,27H,2-5,13-14H2,1H3,(H,28,32)(H,29,33,34)
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Aix-Marseille University

Curated by ChEMBL


Assay Description
Inhibition of TEV cleavage site-fused-GST tagged BRD4(BD1) (unknown origin) using SGRGK(Ac)CGK(Ac)-GLGK(Ac)GGAK(Ac)RHRKVG-peptide after 3 hrs by HTRF...


J Med Chem 61: 5719-5732 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00653
BindingDB Entry DOI: 10.7270/Q2Q52S95
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50465544
PNG
(CHEMBL4285802)
Show SMILES CCn1cnc2n(Cc3ccc(CNS(=O)(=O)c4ccc(Oc5ccccc5)cc4)cc3)c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C27H25N5O5S/c1-2-31-18-28-25-24(31)26(33)30-27(34)32(25)17-20-10-8-19(9-11-20)16-29-38(35,36)23-14-12-22(13-15-23)37-21-6-4-3-5-7-21/h3-15,18,29H,2,16-17H2,1H3,(H,30,33,34)
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n/an/a 316n/an/an/an/an/an/a



Aix-Marseille University

Curated by ChEMBL


Assay Description
Inhibition of TEV cleavage site-fused-GST tagged BRD4(BD1) (unknown origin) using SGRGK(Ac)CGK(Ac)-GLGK(Ac)GGAK(Ac)RHRKVG-peptide after 3 hrs by HTRF...


J Med Chem 61: 5719-5732 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00653
BindingDB Entry DOI: 10.7270/Q2Q52S95
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50465540
PNG
(CHEMBL4282396)
Show SMILES CCn1cnc2n(Cc3ccc(CNS(=O)(=O)c4ccc5NC(=O)CCc5c4)cc3)c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C24H24N6O5S/c1-2-29-14-25-22-21(29)23(32)28-24(33)30(22)13-16-5-3-15(4-6-16)12-26-36(34,35)18-8-9-19-17(11-18)7-10-20(31)27-19/h3-6,8-9,11,14,26H,2,7,10,12-13H2,1H3,(H,27,31)(H,28,32,33)
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n/an/a 398n/an/an/an/an/an/a



Aix-Marseille University

Curated by ChEMBL


Assay Description
Inhibition of TEV cleavage site-fused-GST tagged BRD4(BD1) (unknown origin) using SGRGK(Ac)CGK(Ac)-GLGK(Ac)GGAK(Ac)RHRKVG-peptide after 3 hrs by HTRF...


J Med Chem 61: 5719-5732 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00653
BindingDB Entry DOI: 10.7270/Q2Q52S95
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50465534
PNG
(CHEMBL4288560)
Show SMILES CCn1cnc2n(Cc3ccc(CNS(=O)(=O)c4ccc(cc4)-c4ccccc4)cc3)c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C27H25N5O4S/c1-2-31-18-28-25-24(31)26(33)30-27(34)32(25)17-20-10-8-19(9-11-20)16-29-37(35,36)23-14-12-22(13-15-23)21-6-4-3-5-7-21/h3-15,18,29H,2,16-17H2,1H3,(H,30,33,34)
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n/an/a 398n/an/an/an/an/an/a



Aix-Marseille University

Curated by ChEMBL


Assay Description
Inhibition of TEV cleavage site-fused-GST tagged BRD4(BD1) (unknown origin) using SGRGK(Ac)CGK(Ac)-GLGK(Ac)GGAK(Ac)RHRKVG-peptide after 3 hrs by HTRF...


J Med Chem 61: 5719-5732 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00653
BindingDB Entry DOI: 10.7270/Q2Q52S95
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50465541
PNG
(CHEMBL4284735)
Show SMILES CCn1cnc2n(Cc3ccc(CNS(=O)(=O)c4cnn(c4)-c4ccccc4)cc3)c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C24H23N7O4S/c1-2-29-16-25-22-21(29)23(32)28-24(33)30(22)14-18-10-8-17(9-11-18)12-27-36(34,35)20-13-26-31(15-20)19-6-4-3-5-7-19/h3-11,13,15-16,27H,2,12,14H2,1H3,(H,28,32,33)
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n/an/a 501n/an/an/an/an/an/a



Aix-Marseille University

Curated by ChEMBL


Assay Description
Inhibition of TEV cleavage site-fused-GST tagged BRD4(BD1) (unknown origin) using SGRGK(Ac)CGK(Ac)-GLGK(Ac)GGAK(Ac)RHRKVG-peptide after 3 hrs by HTRF...


J Med Chem 61: 5719-5732 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00653
BindingDB Entry DOI: 10.7270/Q2Q52S95
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50465536
PNG
(CHEMBL4282793)
Show SMILES CCn1cnc2n(Cc3ccc(CNS(=O)(=O)c4cccc(c4)-c4ccccc4)cc3)c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C27H25N5O4S/c1-2-31-18-28-25-24(31)26(33)30-27(34)32(25)17-20-13-11-19(12-14-20)16-29-37(35,36)23-10-6-9-22(15-23)21-7-4-3-5-8-21/h3-15,18,29H,2,16-17H2,1H3,(H,30,33,34)
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n/an/a 501n/an/an/an/an/an/a



Aix-Marseille University

Curated by ChEMBL


Assay Description
Inhibition of TEV cleavage site-fused-GST tagged BRD4(BD1) (unknown origin) using SGRGK(Ac)CGK(Ac)-GLGK(Ac)GGAK(Ac)RHRKVG-peptide after 3 hrs by HTRF...


J Med Chem 61: 5719-5732 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00653
BindingDB Entry DOI: 10.7270/Q2Q52S95
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50465539
PNG
(CHEMBL4292433)
Show SMILES CCn1cnc2n(Cc3ccc(CNS(=O)(=O)c4ccc(cc4)-c4ccc(s4)-c4cc(C)n[nH]4)cc3)c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C29H27N7O4S2/c1-3-35-17-30-27-26(35)28(37)32-29(38)36(27)16-20-6-4-19(5-7-20)15-31-42(39,40)22-10-8-21(9-11-22)24-12-13-25(41-24)23-14-18(2)33-34-23/h4-14,17,31H,3,15-16H2,1-2H3,(H,33,34)(H,32,37,38)
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n/an/a 501n/an/an/an/an/an/a



Aix-Marseille University

Curated by ChEMBL


Assay Description
Inhibition of TEV cleavage site-fused-GST tagged BRD4(BD1) (unknown origin) using SGRGK(Ac)CGK(Ac)-GLGK(Ac)GGAK(Ac)RHRKVG-peptide after 3 hrs by HTRF...


J Med Chem 61: 5719-5732 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00653
BindingDB Entry DOI: 10.7270/Q2Q52S95
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50465533
PNG
(CHEMBL4289190)
Show SMILES CCn1cnc2n(Cc3ccc(CNS(=O)(=O)c4ccc(C)cc4)cc3)c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C22H23N5O4S/c1-3-26-14-23-20-19(26)21(28)25-22(29)27(20)13-17-8-6-16(7-9-17)12-24-32(30,31)18-10-4-15(2)5-11-18/h4-11,14,24H,3,12-13H2,1-2H3,(H,25,28,29)
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n/an/a 631n/an/an/an/an/an/a



Aix-Marseille University

Curated by ChEMBL


Assay Description
Inhibition of TEV cleavage site-fused-GST tagged BRD4(BD1) (unknown origin) using SGRGK(Ac)CGK(Ac)-GLGK(Ac)GGAK(Ac)RHRKVG-peptide after 3 hrs by HTRF...


J Med Chem 61: 5719-5732 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00653
BindingDB Entry DOI: 10.7270/Q2Q52S95
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50465535
PNG
(CHEMBL4278314)
Show SMILES CCn1cnc2n(Cc3ccc(CNS(=O)(=O)c4ccc(cc4)C4COC(C)=N4)cc3)c(=O)[nH]c(=O)c12 |c:28|
Show InChI InChI=1S/C25H26N6O5S/c1-3-30-15-26-23-22(30)24(32)29-25(33)31(23)13-18-6-4-17(5-7-18)12-27-37(34,35)20-10-8-19(9-11-20)21-14-36-16(2)28-21/h4-11,15,21,27H,3,12-14H2,1-2H3,(H,29,32,33)
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Aix-Marseille University

Curated by ChEMBL


Assay Description
Inhibition of TEV cleavage site-fused-GST tagged BRD4(BD1) (unknown origin) using SGRGK(Ac)CGK(Ac)-GLGK(Ac)GGAK(Ac)RHRKVG-peptide after 3 hrs by HTRF...


J Med Chem 61: 5719-5732 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00653
BindingDB Entry DOI: 10.7270/Q2Q52S95
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50465537
PNG
(CHEMBL4286225)
Show SMILES CCn1cnc2n(Cc3ccc(CNS(=O)(=O)c4ccc(OCc5ccccc5)cc4)cc3)c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C28H27N5O5S/c1-2-32-19-29-26-25(32)27(34)31-28(35)33(26)17-21-10-8-20(9-11-21)16-30-39(36,37)24-14-12-23(13-15-24)38-18-22-6-4-3-5-7-22/h3-15,19,30H,2,16-18H2,1H3,(H,31,34,35)
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n/an/a 631n/an/an/an/an/an/a



Aix-Marseille University

Curated by ChEMBL


Assay Description
Inhibition of TEV cleavage site-fused-GST tagged BRD4(BD1) (unknown origin) using SGRGK(Ac)CGK(Ac)-GLGK(Ac)GGAK(Ac)RHRKVG-peptide after 3 hrs by HTRF...


J Med Chem 61: 5719-5732 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00653
BindingDB Entry DOI: 10.7270/Q2Q52S95
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50465545
PNG
(CHEMBL4293000)
Show SMILES CCn1cnc2n(Cc3ccc(CNS(=O)(=O)c4ccc5n(C)c(=O)n(C)c5c4)cc3)c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C24H25N7O5S/c1-4-30-14-25-21-20(30)22(32)27-23(33)31(21)13-16-7-5-15(6-8-16)12-26-37(35,36)17-9-10-18-19(11-17)29(3)24(34)28(18)2/h5-11,14,26H,4,12-13H2,1-3H3,(H,27,32,33)
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Aix-Marseille University

Curated by ChEMBL


Assay Description
Inhibition of TEV cleavage site-fused-GST tagged BRD4(BD1) (unknown origin) using SGRGK(Ac)CGK(Ac)-GLGK(Ac)GGAK(Ac)RHRKVG-peptide after 3 hrs by HTRF...


J Med Chem 61: 5719-5732 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00653
BindingDB Entry DOI: 10.7270/Q2Q52S95
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50465546
PNG
(CHEMBL4277865)
Show SMILES CCn1cnc2n(Cc3ccc(CNS(=O)(=O)c4ccc(OC)cc4)cc3)c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C22H23N5O5S/c1-3-26-14-23-20-19(26)21(28)25-22(29)27(20)13-16-6-4-15(5-7-16)12-24-33(30,31)18-10-8-17(32-2)9-11-18/h4-11,14,24H,3,12-13H2,1-2H3,(H,25,28,29)
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Aix-Marseille University

Curated by ChEMBL


Assay Description
Inhibition of TEV cleavage site-fused-GST tagged BRD4(BD1) (unknown origin) using SGRGK(Ac)CGK(Ac)-GLGK(Ac)GGAK(Ac)RHRKVG-peptide after 3 hrs by HTRF...


J Med Chem 61: 5719-5732 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00653
BindingDB Entry DOI: 10.7270/Q2Q52S95
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50465538
PNG
(CHEMBL4284197)
Show SMILES CCn1cnc2n(Cc3ccc(CNS(=O)(=O)c4ccc(cc4)-c4cc5ccccc5s4)cc3)c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C29H25N5O4S2/c1-2-33-18-30-27-26(33)28(35)32-29(36)34(27)17-20-9-7-19(8-10-20)16-31-40(37,38)23-13-11-21(12-14-23)25-15-22-5-3-4-6-24(22)39-25/h3-15,18,31H,2,16-17H2,1H3,(H,32,35,36)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Aix-Marseille University

Curated by ChEMBL


Assay Description
Inhibition of TEV cleavage site-fused-GST tagged BRD4(BD1) (unknown origin) using SGRGK(Ac)CGK(Ac)-GLGK(Ac)GGAK(Ac)RHRKVG-peptide after 3 hrs by HTRF...


J Med Chem 61: 5719-5732 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00653
BindingDB Entry DOI: 10.7270/Q2Q52S95
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50465548
PNG
(CHEMBL4286686)
Show SMILES CCn1cnc2n(Cc3ccc(CNS(=O)(=O)c4cc(ccc4C)-c4ccno4)cc3)c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C25H24N6O5S/c1-3-30-15-26-23-22(30)24(32)29-25(33)31(23)14-18-7-5-17(6-8-18)13-28-37(34,35)21-12-19(9-4-16(21)2)20-10-11-27-36-20/h4-12,15,28H,3,13-14H2,1-2H3,(H,29,32,33)
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n/an/a 1.26E+3n/an/an/an/an/an/a



Aix-Marseille University

Curated by ChEMBL


Assay Description
Inhibition of TEV cleavage site-fused-GST tagged BRD4(BD1) (unknown origin) using SGRGK(Ac)CGK(Ac)-GLGK(Ac)GGAK(Ac)RHRKVG-peptide after 3 hrs by HTRF...


J Med Chem 61: 5719-5732 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00653
BindingDB Entry DOI: 10.7270/Q2Q52S95
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50465547
PNG
(CHEMBL4292615)
Show SMILES CCn1cnc2n(Cc3ccc(CNS(=O)(=O)CCc4ccccc4)cc3)c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C23H25N5O4S/c1-2-27-16-24-21-20(27)22(29)26-23(30)28(21)15-19-10-8-18(9-11-19)14-25-33(31,32)13-12-17-6-4-3-5-7-17/h3-11,16,25H,2,12-15H2,1H3,(H,26,29,30)
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n/an/a 1.59E+3n/an/an/an/an/an/a



Aix-Marseille University

Curated by ChEMBL


Assay Description
Inhibition of TEV cleavage site-fused-GST tagged BRD4(BD1) (unknown origin) using SGRGK(Ac)CGK(Ac)-GLGK(Ac)GGAK(Ac)RHRKVG-peptide after 3 hrs by HTRF...


J Med Chem 61: 5719-5732 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00653
BindingDB Entry DOI: 10.7270/Q2Q52S95
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50150754
PNG
(CHEMBL3775058)
Show SMILES CCn1cnc2n(Cc3ccc(Cl)cc3)c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C14H13ClN4O2/c1-2-18-8-16-12-11(18)13(20)17-14(21)19(12)7-9-3-5-10(15)6-4-9/h3-6,8H,2,7H2,1H3,(H,17,20,21)
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n/an/a 1.60E+3n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human BRD2 bromodomain2 using H4KAc 5/8/12/16 peptide as substrate incubated overnight by HTRF assay


J Med Chem 59: 1634-41 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01708
BindingDB Entry DOI: 10.7270/Q21N830R
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50150754
PNG
(CHEMBL3775058)
Show SMILES CCn1cnc2n(Cc3ccc(Cl)cc3)c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C14H13ClN4O2/c1-2-18-8-16-12-11(18)13(20)17-14(21)19(12)7-9-3-5-10(15)6-4-9/h3-6,8H,2,7H2,1H3,(H,17,20,21)
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n/an/a 1.80E+3n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human BRD3 bromodomain1 using H4KAc 5/8/12/16 peptide as substrate incubated overnight by HTRF assay


J Med Chem 59: 1634-41 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01708
BindingDB Entry DOI: 10.7270/Q21N830R
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50150754
PNG
(CHEMBL3775058)
Show SMILES CCn1cnc2n(Cc3ccc(Cl)cc3)c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C14H13ClN4O2/c1-2-18-8-16-12-11(18)13(20)17-14(21)19(12)7-9-3-5-10(15)6-4-9/h3-6,8H,2,7H2,1H3,(H,17,20,21)
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n/an/a 1.80E+3n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of human BRD3 bromodomain2 using H4KAc 5/8/12/16 peptide as substrate incubated overnight by HTRF assay


J Med Chem 59: 1634-41 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01708
BindingDB Entry DOI: 10.7270/Q21N830R
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50150754
PNG
(CHEMBL3775058)
Show SMILES CCn1cnc2n(Cc3ccc(Cl)cc3)c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C14H13ClN4O2/c1-2-18-8-16-12-11(18)13(20)17-14(21)19(12)7-9-3-5-10(15)6-4-9/h3-6,8H,2,7H2,1H3,(H,17,20,21)
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n/an/a 1.90E+3n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human BRD4 bromodomain2 using H4KAc 5/8/12/16 peptide as substrate incubated overnight by HTRF assay


J Med Chem 59: 1634-41 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01708
BindingDB Entry DOI: 10.7270/Q21N830R
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50465542
PNG
(CHEMBL4281327)
Show SMILES CCn1cnc2n(Cc3ccc(CNS(=O)(=O)c4ccc5oncc5c4)cc3)c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C22H20N6O5S/c1-2-27-13-23-20-19(27)21(29)26-22(30)28(20)12-15-5-3-14(4-6-15)10-25-34(31,32)17-7-8-18-16(9-17)11-24-33-18/h3-9,11,13,25H,2,10,12H2,1H3,(H,26,29,30)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Aix-Marseille University

Curated by ChEMBL


Assay Description
Inhibition of TEV cleavage site-fused-GST tagged BRD4(BD1) (unknown origin) using SGRGK(Ac)CGK(Ac)-GLGK(Ac)GGAK(Ac)RHRKVG-peptide after 3 hrs by HTRF...


J Med Chem 61: 5719-5732 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00653
BindingDB Entry DOI: 10.7270/Q2Q52S95
More data for this
Ligand-Target Pair
Bromodomain testis-specific protein


(Homo sapiens (Human))
BDBM50150754
PNG
(CHEMBL3775058)
Show SMILES CCn1cnc2n(Cc3ccc(Cl)cc3)c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C14H13ClN4O2/c1-2-18-8-16-12-11(18)13(20)17-14(21)19(12)7-9-3-5-10(15)6-4-9/h3-6,8H,2,7H2,1H3,(H,17,20,21)
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n/an/a 2.30E+3n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human BRDT bromodomain1 using H4KAc 5/8/12/16 peptide as substrate incubated overnight by HTRF assay


J Med Chem 59: 1634-41 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01708
BindingDB Entry DOI: 10.7270/Q21N830R
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50150754
PNG
(CHEMBL3775058)
Show SMILES CCn1cnc2n(Cc3ccc(Cl)cc3)c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C14H13ClN4O2/c1-2-18-8-16-12-11(18)13(20)17-14(21)19(12)7-9-3-5-10(15)6-4-9/h3-6,8H,2,7H2,1H3,(H,17,20,21)
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n/an/a 2.60E+3n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human BRD4 bromodomain1 using H4KAc 5/8/12/16 peptide as substrate incubated overnight by HTRF assay


J Med Chem 59: 1634-41 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01708
BindingDB Entry DOI: 10.7270/Q21N830R
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50150754
PNG
(CHEMBL3775058)
Show SMILES CCn1cnc2n(Cc3ccc(Cl)cc3)c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C14H13ClN4O2/c1-2-18-8-16-12-11(18)13(20)17-14(21)19(12)7-9-3-5-10(15)6-4-9/h3-6,8H,2,7H2,1H3,(H,17,20,21)
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n/an/a 4.70E+3n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human BRD2 bromodomain1 using H4KAc 5/8/12/16 peptide as substrate incubated overnight by HTRF assay


J Med Chem 59: 1634-41 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01708
BindingDB Entry DOI: 10.7270/Q21N830R
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50150755
PNG
(CHEMBL3775270)
Show SMILES CCCCn1c2ncn(CC)c2c(=O)[nH]c1=O
Show InChI InChI=1S/C11H16N4O2/c1-3-5-6-15-9-8(10(16)13-11(15)17)14(4-2)7-12-9/h7H,3-6H2,1-2H3,(H,13,16,17)
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n/an/a 4.80E+3n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human BRD3 bromodomain1 using H4KAc 5/8/12/16 peptide as substrate incubated overnight by HTRF assay


J Med Chem 59: 1634-41 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01708
BindingDB Entry DOI: 10.7270/Q21N830R
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50150069
PNG
(CHEMBL3774931)
Show SMILES CCCCc1c(C)nc2nc(SCc3nc4n(CCCC)c(=O)[nH]c(=O)c4n3CC)nn2c1C
Show InChI InChI=1S/C23H32N8O2S/c1-6-9-11-16-14(4)24-21-27-22(28-31(21)15(16)5)34-13-17-25-19-18(29(17)8-3)20(32)26-23(33)30(19)12-10-7-2/h6-13H2,1-5H3,(H,26,32,33)
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n/an/a 5.00E+3n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human BRD4 bromodomain1 using H4KAc 5/8/12/16 peptide as substrate incubated overnight by HTRF assay


J Med Chem 59: 1634-41 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01708
BindingDB Entry DOI: 10.7270/Q21N830R
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50465551
PNG
(CHEMBL4290684)
Show SMILES CCn1cnc2n(Cc3ccc(CNS(=O)(=O)CCN4CCOCC4)cc3)c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C21H28N6O5S/c1-2-26-15-22-19-18(26)20(28)24-21(29)27(19)14-17-5-3-16(4-6-17)13-23-33(30,31)12-9-25-7-10-32-11-8-25/h3-6,15,23H,2,7-14H2,1H3,(H,24,28,29)
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n/an/a 5.01E+3n/an/an/an/an/an/a



Aix-Marseille University

Curated by ChEMBL


Assay Description
Inhibition of TEV cleavage site-fused-GST tagged BRD4(BD1) (unknown origin) using SGRGK(Ac)CGK(Ac)-GLGK(Ac)GGAK(Ac)RHRKVG-peptide after 3 hrs by HTRF...


J Med Chem 61: 5719-5732 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00653
BindingDB Entry DOI: 10.7270/Q2Q52S95
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50150755
PNG
(CHEMBL3775270)
Show SMILES CCCCn1c2ncn(CC)c2c(=O)[nH]c1=O
Show InChI InChI=1S/C11H16N4O2/c1-3-5-6-15-9-8(10(16)13-11(15)17)14(4-2)7-12-9/h7H,3-6H2,1-2H3,(H,13,16,17)
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n/an/a 5.80E+3n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of human BRD3 bromodomain2 using H4KAc 5/8/12/16 peptide as substrate incubated overnight by HTRF assay


J Med Chem 59: 1634-41 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01708
BindingDB Entry DOI: 10.7270/Q21N830R
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50150755
PNG
(CHEMBL3775270)
Show SMILES CCCCn1c2ncn(CC)c2c(=O)[nH]c1=O
Show InChI InChI=1S/C11H16N4O2/c1-3-5-6-15-9-8(10(16)13-11(15)17)14(4-2)7-12-9/h7H,3-6H2,1-2H3,(H,13,16,17)
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n/an/a 6.60E+3n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human BRD2 bromodomain2 using H4KAc 5/8/12/16 peptide as substrate incubated overnight by HTRF assay


J Med Chem 59: 1634-41 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01708
BindingDB Entry DOI: 10.7270/Q21N830R
More data for this
Ligand-Target Pair
Bromodomain testis-specific protein


(Homo sapiens (Human))
BDBM50150755
PNG
(CHEMBL3775270)
Show SMILES CCCCn1c2ncn(CC)c2c(=O)[nH]c1=O
Show InChI InChI=1S/C11H16N4O2/c1-3-5-6-15-9-8(10(16)13-11(15)17)14(4-2)7-12-9/h7H,3-6H2,1-2H3,(H,13,16,17)
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n/an/a 7.90E+3n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human BRDT bromodomain1 using H4KAc 5/8/12/16 peptide as substrate incubated overnight by HTRF assay


J Med Chem 59: 1634-41 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01708
BindingDB Entry DOI: 10.7270/Q21N830R
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50150755
PNG
(CHEMBL3775270)
Show SMILES CCCCn1c2ncn(CC)c2c(=O)[nH]c1=O
Show InChI InChI=1S/C11H16N4O2/c1-3-5-6-15-9-8(10(16)13-11(15)17)14(4-2)7-12-9/h7H,3-6H2,1-2H3,(H,13,16,17)
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n/an/a 8.10E+3n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human BRD4 bromodomain2 using H4KAc 5/8/12/16 peptide as substrate incubated overnight by HTRF assay


J Med Chem 59: 1634-41 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01708
BindingDB Entry DOI: 10.7270/Q21N830R
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50465549
PNG
(CHEMBL1721265)
Show SMILES CCn1cnc2n(Cc3ccccc3)c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C14H14N4O2/c1-2-17-9-15-12-11(17)13(19)16-14(20)18(12)8-10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H,16,19,20)
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n/an/a 1.26E+4n/an/an/an/an/an/a



Aix-Marseille University

Curated by ChEMBL


Assay Description
Inhibition of TEV cleavage site-fused-GST tagged BRD4(BD1) (unknown origin) using SGRGK(Ac)CGK(Ac)-GLGK(Ac)GGAK(Ac)RHRKVG-peptide after 3 hrs by HTRF...


J Med Chem 61: 5719-5732 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00653
BindingDB Entry DOI: 10.7270/Q2Q52S95
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50150755
PNG
(CHEMBL3775270)
Show SMILES CCCCn1c2ncn(CC)c2c(=O)[nH]c1=O
Show InChI InChI=1S/C11H16N4O2/c1-3-5-6-15-9-8(10(16)13-11(15)17)14(4-2)7-12-9/h7H,3-6H2,1-2H3,(H,13,16,17)
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n/an/a 1.30E+4n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human BRD4 bromodomain1 using H4KAc 5/8/12/16 peptide as substrate incubated overnight by HTRF assay


J Med Chem 59: 1634-41 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01708
BindingDB Entry DOI: 10.7270/Q21N830R
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50150755
PNG
(CHEMBL3775270)
Show SMILES CCCCn1c2ncn(CC)c2c(=O)[nH]c1=O
Show InChI InChI=1S/C11H16N4O2/c1-3-5-6-15-9-8(10(16)13-11(15)17)14(4-2)7-12-9/h7H,3-6H2,1-2H3,(H,13,16,17)
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n/an/a 1.88E+4n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human BRD2 bromodomain1 using H4KAc 5/8/12/16 peptide as substrate incubated overnight by HTRF assay


J Med Chem 59: 1634-41 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01708
BindingDB Entry DOI: 10.7270/Q21N830R
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50150753
PNG
(CHEMBL3775772)
Show SMILES CCCCc1c(C)nc2nc(SCc3nc4n(Cc5ccc(Cl)cc5)c(=O)[nH]c(=O)c4n3CC)nn2c1C
Show InChI InChI=1S/C26H29ClN8O2S/c1-5-7-8-19-15(3)28-24-31-25(32-35(24)16(19)4)38-14-20-29-22-21(33(20)6-2)23(36)30-26(37)34(22)13-17-9-11-18(27)12-10-17/h9-12H,5-8,13-14H2,1-4H3,(H,30,36,37)
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n/an/a 2.04E+4n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human BRD4 bromodomain1 using H4KAc 5/8/12/16 peptide as substrate incubated overnight by HTRF assay


J Med Chem 59: 1634-41 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01708
BindingDB Entry DOI: 10.7270/Q21N830R
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50465550
PNG
(CHEMBL4289645)
Show SMILES OC(=O)C(F)(F)F.CCn1cnc2n(Cc3ccc(CN)cc3)c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C15H17N5O2/c1-2-19-9-17-13-12(19)14(21)18-15(22)20(13)8-11-5-3-10(7-16)4-6-11/h3-6,9H,2,7-8,16H2,1H3,(H,18,21,22)
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n/an/a 2.51E+4n/an/an/an/an/an/a



Aix-Marseille University

Curated by ChEMBL


Assay Description
Inhibition of TEV cleavage site-fused-GST tagged BRD4(BD1) (unknown origin) using SGRGK(Ac)CGK(Ac)-GLGK(Ac)GGAK(Ac)RHRKVG-peptide after 3 hrs by HTRF...


J Med Chem 61: 5719-5732 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00653
BindingDB Entry DOI: 10.7270/Q2Q52S95
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50150752
PNG
(CHEMBL3774900)
Show SMILES CCn1c(CSc2n[nH]c(N)n2)nc2n(Cc3ccc(Cl)cc3)c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C17H17ClN8O2S/c1-2-25-11(8-29-16-22-15(19)23-24-16)20-13-12(25)14(27)21-17(28)26(13)7-9-3-5-10(18)6-4-9/h3-6H,2,7-8H2,1H3,(H,21,27,28)(H3,19,22,23,24)
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n/an/a 2.64E+4n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human BRD4 bromodomain1 using H4KAc 5/8/12/16 peptide as substrate incubated overnight by HTRF assay


J Med Chem 59: 1634-41 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01708
BindingDB Entry DOI: 10.7270/Q21N830R
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50150752
PNG
(CHEMBL3774900)
Show SMILES CCn1c(CSc2n[nH]c(N)n2)nc2n(Cc3ccc(Cl)cc3)c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C17H17ClN8O2S/c1-2-25-11(8-29-16-22-15(19)23-24-16)20-13-12(25)14(27)21-17(28)26(13)7-9-3-5-10(18)6-4-9/h3-6H,2,7-8H2,1H3,(H,21,27,28)(H3,19,22,23,24)
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n/an/a 3.00E+4n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human BRD2 bromodomain1 using H4KAc 5/8/12/16 peptide as substrate incubated overnight by HTRF assay


J Med Chem 59: 1634-41 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01708
BindingDB Entry DOI: 10.7270/Q21N830R
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50150752
PNG
(CHEMBL3774900)
Show SMILES CCn1c(CSc2n[nH]c(N)n2)nc2n(Cc3ccc(Cl)cc3)c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C17H17ClN8O2S/c1-2-25-11(8-29-16-22-15(19)23-24-16)20-13-12(25)14(27)21-17(28)26(13)7-9-3-5-10(18)6-4-9/h3-6H,2,7-8H2,1H3,(H,21,27,28)(H3,19,22,23,24)
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n/an/a 3.17E+4n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human BRD3 bromodomain1 using H4KAc 5/8/12/16 peptide as substrate incubated overnight by HTRF assay


J Med Chem 59: 1634-41 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01708
BindingDB Entry DOI: 10.7270/Q21N830R
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50150714
PNG
(CHEMBL3775080)
Show SMILES CCCCn1c2nc(CSc3n[nH]c(N)n3)n(CC)c2c(=O)[nH]c1=O
Show InChI InChI=1S/C14H20N8O2S/c1-3-5-6-22-10-9(11(23)17-14(22)24)21(4-2)8(16-10)7-25-13-18-12(15)19-20-13/h3-7H2,1-2H3,(H,17,23,24)(H3,15,18,19,20)
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n/an/a>5.00E+4n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human BRD4 bromodomain1 using H4KAc 5/8/12/16 peptide as substrate incubated overnight by HTRF assay


J Med Chem 59: 1634-41 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01708
BindingDB Entry DOI: 10.7270/Q21N830R
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50150069
PNG
(CHEMBL3774931)
Show SMILES CCCCc1c(C)nc2nc(SCc3nc4n(CCCC)c(=O)[nH]c(=O)c4n3CC)nn2c1C
Show InChI InChI=1S/C23H32N8O2S/c1-6-9-11-16-14(4)24-21-27-22(28-31(21)15(16)5)34-13-17-25-19-18(29(17)8-3)20(32)26-23(33)30(19)12-10-7-2/h6-13H2,1-5H3,(H,26,32,33)
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n/an/a 5.90E+4n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human BRD2 bromodomain1 using H4KAc 5/8/12/16 peptide as substrate incubated overnight by HTRF assay


J Med Chem 59: 1634-41 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01708
BindingDB Entry DOI: 10.7270/Q21N830R
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50150069
PNG
(CHEMBL3774931)
Show SMILES CCCCc1c(C)nc2nc(SCc3nc4n(CCCC)c(=O)[nH]c(=O)c4n3CC)nn2c1C
Show InChI InChI=1S/C23H32N8O2S/c1-6-9-11-16-14(4)24-21-27-22(28-31(21)15(16)5)34-13-17-25-19-18(29(17)8-3)20(32)26-23(33)30(19)12-10-7-2/h6-13H2,1-5H3,(H,26,32,33)
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n/an/a 6.20E+4n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human BRD3 bromodomain1 using H4KAc 5/8/12/16 peptide as substrate incubated overnight by HTRF assay


J Med Chem 59: 1634-41 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01708
BindingDB Entry DOI: 10.7270/Q21N830R
More data for this
Ligand-Target Pair
Bromodomain testis-specific protein


(Homo sapiens (Human))
BDBM50150069
PNG
(CHEMBL3774931)
Show SMILES CCCCc1c(C)nc2nc(SCc3nc4n(CCCC)c(=O)[nH]c(=O)c4n3CC)nn2c1C
Show InChI InChI=1S/C23H32N8O2S/c1-6-9-11-16-14(4)24-21-27-22(28-31(21)15(16)5)34-13-17-25-19-18(29(17)8-3)20(32)26-23(33)30(19)12-10-7-2/h6-13H2,1-5H3,(H,26,32,33)
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n/an/a 1.00E+5n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human BRDT bromodomain1 using H4KAc 5/8/12/16 peptide as substrate incubated overnight by HTRF assay


J Med Chem 59: 1634-41 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01708
BindingDB Entry DOI: 10.7270/Q21N830R
More data for this
Ligand-Target Pair
Bromodomain testis-specific protein


(Homo sapiens (Human))
BDBM50150752
PNG
(CHEMBL3774900)
Show SMILES CCn1c(CSc2n[nH]c(N)n2)nc2n(Cc3ccc(Cl)cc3)c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C17H17ClN8O2S/c1-2-25-11(8-29-16-22-15(19)23-24-16)20-13-12(25)14(27)21-17(28)26(13)7-9-3-5-10(18)6-4-9/h3-6H,2,7-8H2,1H3,(H,21,27,28)(H3,19,22,23,24)
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n/an/a>1.00E+5n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human BRDT bromodomain1 using H4KAc 5/8/12/16 peptide as substrate incubated overnight by HTRF assay


J Med Chem 59: 1634-41 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01708
BindingDB Entry DOI: 10.7270/Q21N830R
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50150069
PNG
(CHEMBL3774931)
Show SMILES CCCCc1c(C)nc2nc(SCc3nc4n(CCCC)c(=O)[nH]c(=O)c4n3CC)nn2c1C
Show InChI InChI=1S/C23H32N8O2S/c1-6-9-11-16-14(4)24-21-27-22(28-31(21)15(16)5)34-13-17-25-19-18(29(17)8-3)20(32)26-23(33)30(19)12-10-7-2/h6-13H2,1-5H3,(H,26,32,33)
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n/an/a>1.00E+5n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human ATAD2 using H4KAc 5/8/12/16 peptide as substrate incubated overnight by HTRF assay


J Med Chem 59: 1634-41 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01708
BindingDB Entry DOI: 10.7270/Q21N830R
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50465543
PNG
(CHEMBL4278778)
Show SMILES CCn1cnc2n(Cc3ccc(CNS(=O)(=O)c4ccc5NC(=O)CCCc5c4)cc3)c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C25H26N6O5S/c1-2-30-15-26-23-22(30)24(33)29-25(34)31(23)14-17-8-6-16(7-9-17)13-27-37(35,36)19-10-11-20-18(12-19)4-3-5-21(32)28-20/h6-12,15,27H,2-5,13-14H2,1H3,(H,28,32)(H,29,33,34)
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n/an/an/a 190n/an/an/an/an/a



Aix-Marseille University

Curated by ChEMBL


Assay Description
Binding affinity to TEV cleavage site-fused-His-tagged BRD4(BD1) (unknown origin) by isothermal-titration calorimetry


J Med Chem 61: 5719-5732 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00653
BindingDB Entry DOI: 10.7270/Q2Q52S95
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50465546
PNG
(CHEMBL4277865)
Show SMILES CCn1cnc2n(Cc3ccc(CNS(=O)(=O)c4ccc(OC)cc4)cc3)c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C22H23N5O5S/c1-3-26-14-23-20-19(26)21(28)25-22(29)27(20)13-16-6-4-15(5-7-16)12-24-33(30,31)18-10-8-17(32-2)9-11-18/h4-11,14,24H,3,12-13H2,1-2H3,(H,25,28,29)
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n/an/an/a 540n/an/an/an/an/a



Aix-Marseille University

Curated by ChEMBL


Assay Description
Binding affinity to TEV cleavage site-fused-His-tagged BRD4(BD1) (unknown origin) by isothermal-titration calorimetry


J Med Chem 61: 5719-5732 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00653
BindingDB Entry DOI: 10.7270/Q2Q52S95
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50465541
PNG
(CHEMBL4284735)
Show SMILES CCn1cnc2n(Cc3ccc(CNS(=O)(=O)c4cnn(c4)-c4ccccc4)cc3)c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C24H23N7O4S/c1-2-29-16-25-22-21(29)23(32)28-24(33)30(22)14-18-10-8-17(9-11-18)12-27-36(34,35)20-13-26-31(15-20)19-6-4-3-5-7-19/h3-11,13,15-16,27H,2,12,14H2,1H3,(H,28,32,33)
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n/an/an/a 410n/an/an/an/an/a



Aix-Marseille University

Curated by ChEMBL


Assay Description
Binding affinity to TEV cleavage site-fused-His-tagged BRD4(BD1) (unknown origin) by isothermal-titration calorimetry


J Med Chem 61: 5719-5732 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00653
BindingDB Entry DOI: 10.7270/Q2Q52S95
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50465539
PNG
(CHEMBL4292433)
Show SMILES CCn1cnc2n(Cc3ccc(CNS(=O)(=O)c4ccc(cc4)-c4ccc(s4)-c4cc(C)n[nH]4)cc3)c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C29H27N7O4S2/c1-3-35-17-30-27-26(35)28(37)32-29(38)36(27)16-20-6-4-19(5-7-20)15-31-42(39,40)22-10-8-21(9-11-22)24-12-13-25(41-24)23-14-18(2)33-34-23/h4-14,17,31H,3,15-16H2,1-2H3,(H,33,34)(H,32,37,38)
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n/an/an/a 320n/an/an/an/an/a



Aix-Marseille University

Curated by ChEMBL


Assay Description
Binding affinity to TEV cleavage site-fused-His-tagged BRD4(BD1) (unknown origin) by isothermal-titration calorimetry


J Med Chem 61: 5719-5732 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00653
BindingDB Entry DOI: 10.7270/Q2Q52S95
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50150754
PNG
(CHEMBL3775058)
Show SMILES CCn1cnc2n(Cc3ccc(Cl)cc3)c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C14H13ClN4O2/c1-2-18-8-16-12-11(18)13(20)17-14(21)19(12)7-9-3-5-10(15)6-4-9/h3-6,8H,2,7H2,1H3,(H,17,20,21)
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n/an/an/a 1.80E+3n/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity to his-tagged human BRD4 bromodomain1 by isothermal titration calorimetric analysis


J Med Chem 59: 1634-41 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01708
BindingDB Entry DOI: 10.7270/Q21N830R
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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