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Compile Data Set for Download or QSAR

Found 66 hits Enz. Inhib. hit(s) with all data for entry = 50003052   
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))
BDBM50466243
PNG
(CHEMBL4286609)
Show SMILES Cc1noc(C)c1-c1ccc2nc(nc(NCc3cccc(Cl)c3)c2c1)-n1cc(CCO)cn1
Show InChI InChI=1S/C25H23ClN6O2/c1-15-23(16(2)34-31-15)19-6-7-22-21(11-19)24(27-12-17-4-3-5-20(26)10-17)30-25(29-22)32-14-18(8-9-33)13-28-32/h3-7,10-11,13-14,33H,8-9,12H2,1-2H3,(H,27,29,30)
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National Institutes of Health

Curated by ChEMBL


Assay Description
Displacement of biotinylated acetylated peptide from recombinant human partial length BRD4 long isoform bromodomain 1/2 (N44 to E460 residues) expres...


Bioorg Med Chem Lett 28: 3483-3488 (2018)


Article DOI: 10.1016/j.bmcl.2018.08.039
BindingDB Entry DOI: 10.7270/Q28S4SKP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50466244
PNG
(CHEMBL4276844)
Show SMILES CN(C)CCN1CCN(CC1)c1nc(NCc2cccc(Cl)c2)c2cc(ccc2n1)-c1ccc(O)nc1
Show InChI InChI=1S/C28H32ClN7O/c1-34(2)10-11-35-12-14-36(15-13-35)28-32-25-8-6-21(22-7-9-26(37)30-19-22)17-24(25)27(33-28)31-18-20-4-3-5-23(29)16-20/h3-9,16-17,19H,10-15,18H2,1-2H3,(H,30,37)(H,31,32,33)
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National Institutes of Health

Curated by ChEMBL


Assay Description
Displacement of biotinylated acetylated peptide from recombinant human partial length BRD4 long isoform bromodomain 1/2 (N44 to E460 residues) expres...


Bioorg Med Chem Lett 28: 3483-3488 (2018)


Article DOI: 10.1016/j.bmcl.2018.08.039
BindingDB Entry DOI: 10.7270/Q28S4SKP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50466245
PNG
(CHEMBL4291988)
Show SMILES CN(C)CCN1CCN(CC1)c1nc(NCc2ccccc2Cl)c2cc(ccc2n1)-c1c(C)noc1C
Show InChI InChI=1S/C28H34ClN7O/c1-19-26(20(2)37-33-19)21-9-10-25-23(17-21)27(30-18-22-7-5-6-8-24(22)29)32-28(31-25)36-15-13-35(14-16-36)12-11-34(3)4/h5-10,17H,11-16,18H2,1-4H3,(H,30,31,32)
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National Institutes of Health

Curated by ChEMBL


Assay Description
Displacement of biotinylated acetylated peptide from recombinant human partial length BRD4 long isoform bromodomain 1/2 (N44 to E460 residues) expres...


Bioorg Med Chem Lett 28: 3483-3488 (2018)


Article DOI: 10.1016/j.bmcl.2018.08.039
BindingDB Entry DOI: 10.7270/Q28S4SKP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50466246
PNG
(CHEMBL4286125)
Show SMILES CN(C)CCN1CCN(CC1)c1nc(N2CCCCC2c2ccccc2)c2cc(ccc2n1)-c1c(C)noc1C
Show InChI InChI=1S/C32H41N7O/c1-23-30(24(2)40-35-23)26-13-14-28-27(22-26)31(39-15-9-8-12-29(39)25-10-6-5-7-11-25)34-32(33-28)38-20-18-37(19-21-38)17-16-36(3)4/h5-7,10-11,13-14,22,29H,8-9,12,15-21H2,1-4H3
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National Institutes of Health

Curated by ChEMBL


Assay Description
Displacement of biotinylated acetylated peptide from recombinant human partial length BRD4 long isoform bromodomain 1/2 (N44 to E460 residues) expres...


Bioorg Med Chem Lett 28: 3483-3488 (2018)


Article DOI: 10.1016/j.bmcl.2018.08.039
BindingDB Entry DOI: 10.7270/Q28S4SKP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50466247
PNG
(CHEMBL4293058)
Show SMILES CC(Nc1nc(nc2ccc(cc12)-c1c(C)noc1C)N1CCN(CCN(C)C)CC1)c1cccc(Cl)c1
Show InChI InChI=1S/C29H36ClN7O/c1-19(22-7-6-8-24(30)17-22)31-28-25-18-23(27-20(2)34-38-21(27)3)9-10-26(25)32-29(33-28)37-15-13-36(14-16-37)12-11-35(4)5/h6-10,17-19H,11-16H2,1-5H3,(H,31,32,33)
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National Institutes of Health

Curated by ChEMBL


Assay Description
Displacement of biotinylated acetylated peptide from recombinant human partial length BRD4 long isoform bromodomain 1/2 (N44 to E460 residues) expres...


Bioorg Med Chem Lett 28: 3483-3488 (2018)


Article DOI: 10.1016/j.bmcl.2018.08.039
BindingDB Entry DOI: 10.7270/Q28S4SKP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50466248
PNG
(CHEMBL4276978)
Show SMILES CN(C)CCN(C)c1nc(NCc2cccc(Cl)c2)c2cc(ccc2n1)-c1c(C)noc1C
Show InChI InChI=1S/C25H29ClN6O/c1-16-23(17(2)33-30-16)19-9-10-22-21(14-19)24(27-15-18-7-6-8-20(26)13-18)29-25(28-22)32(5)12-11-31(3)4/h6-10,13-14H,11-12,15H2,1-5H3,(H,27,28,29)
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National Institutes of Health

Curated by ChEMBL


Assay Description
Displacement of biotinylated acetylated peptide from recombinant human partial length BRD4 long isoform bromodomain 1/2 (N44 to E460 residues) expres...


Bioorg Med Chem Lett 28: 3483-3488 (2018)


Article DOI: 10.1016/j.bmcl.2018.08.039
BindingDB Entry DOI: 10.7270/Q28S4SKP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50466249
PNG
(CHEMBL4290047)
Show SMILES CN(C)C(=O)CN1CCN(CC1)c1nc(NCc2cccc(Cl)c2)c2cc(ccc2n1)-c1c(C)noc1C
Show InChI InChI=1S/C28H32ClN7O2/c1-18-26(19(2)38-33-18)21-8-9-24-23(15-21)27(30-16-20-6-5-7-22(29)14-20)32-28(31-24)36-12-10-35(11-13-36)17-25(37)34(3)4/h5-9,14-15H,10-13,16-17H2,1-4H3,(H,30,31,32)
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National Institutes of Health

Curated by ChEMBL


Assay Description
Displacement of biotinylated acetylated peptide from recombinant human partial length BRD4 long isoform bromodomain 1/2 (N44 to E460 residues) expres...


Bioorg Med Chem Lett 28: 3483-3488 (2018)


Article DOI: 10.1016/j.bmcl.2018.08.039
BindingDB Entry DOI: 10.7270/Q28S4SKP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50466250
PNG
(CHEMBL4295090)
Show SMILES CN(C)CCN1CCN(CC1)C(=O)c1nc(NCc2cccc(Cl)c2)c2cc(ccc2n1)-c1c(C)noc1C
Show InChI InChI=1S/C29H34ClN7O2/c1-19-26(20(2)39-34-19)22-8-9-25-24(17-22)27(31-18-21-6-5-7-23(30)16-21)33-28(32-25)29(38)37-14-12-36(13-15-37)11-10-35(3)4/h5-9,16-17H,10-15,18H2,1-4H3,(H,31,32,33)
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National Institutes of Health

Curated by ChEMBL


Assay Description
Displacement of biotinylated acetylated peptide from recombinant human partial length BRD4 long isoform bromodomain 1/2 (N44 to E460 residues) expres...


Bioorg Med Chem Lett 28: 3483-3488 (2018)


Article DOI: 10.1016/j.bmcl.2018.08.039
BindingDB Entry DOI: 10.7270/Q28S4SKP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50466251
PNG
(CHEMBL4289664)
Show SMILES CN(C)CCN1CCN(CC1)c1nc(NCc2ccc(Cl)cc2)c2cc(ccc2n1)-c1c(C)noc1C
Show InChI InChI=1S/C28H34ClN7O/c1-19-26(20(2)37-33-19)22-7-10-25-24(17-22)27(30-18-21-5-8-23(29)9-6-21)32-28(31-25)36-15-13-35(14-16-36)12-11-34(3)4/h5-10,17H,11-16,18H2,1-4H3,(H,30,31,32)
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National Institutes of Health

Curated by ChEMBL


Assay Description
Displacement of biotinylated acetylated peptide from recombinant human partial length BRD4 long isoform bromodomain 1/2 (N44 to E460 residues) expres...


Bioorg Med Chem Lett 28: 3483-3488 (2018)


Article DOI: 10.1016/j.bmcl.2018.08.039
BindingDB Entry DOI: 10.7270/Q28S4SKP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50466252
PNG
(CHEMBL4278335)
Show SMILES CN(C)CCN1CCN(CC1)c1nc(N2CCC2c2ccccc2)c2cc(ccc2n1)-c1c(C)noc1C
Show InChI InChI=1S/C30H37N7O/c1-21-28(22(2)38-33-21)24-10-11-26-25(20-24)29(37-13-12-27(37)23-8-6-5-7-9-23)32-30(31-26)36-18-16-35(17-19-36)15-14-34(3)4/h5-11,20,27H,12-19H2,1-4H3
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National Institutes of Health

Curated by ChEMBL


Assay Description
Displacement of biotinylated acetylated peptide from recombinant human partial length BRD4 long isoform bromodomain 1/2 (N44 to E460 residues) expres...


Bioorg Med Chem Lett 28: 3483-3488 (2018)


Article DOI: 10.1016/j.bmcl.2018.08.039
BindingDB Entry DOI: 10.7270/Q28S4SKP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50466253
PNG
(CHEMBL4293430)
Show SMILES CN(C)CCn1cc(cn1)-c1nc(NCc2cccc(Cl)c2)c2cc(ccc2n1)-c1c(C)noc1C
Show InChI InChI=1S/C27H28ClN7O/c1-17-25(18(2)36-33-17)20-8-9-24-23(13-20)27(29-14-19-6-5-7-22(28)12-19)32-26(31-24)21-15-30-35(16-21)11-10-34(3)4/h5-9,12-13,15-16H,10-11,14H2,1-4H3,(H,29,31,32)
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National Institutes of Health

Curated by ChEMBL


Assay Description
Displacement of biotinylated acetylated peptide from recombinant human partial length BRD4 long isoform bromodomain 1/2 (N44 to E460 residues) expres...


Bioorg Med Chem Lett 28: 3483-3488 (2018)


Article DOI: 10.1016/j.bmcl.2018.08.039
BindingDB Entry DOI: 10.7270/Q28S4SKP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50466254
PNG
(CHEMBL4288569)
Show SMILES CN(C)CCN1CCN(CC1)c1nc(NCc2cccc(Cl)c2)c2cc(ccc2n1)-c1ccc(=O)n(C)c1
Show InChI InChI=1S/C29H34ClN7O/c1-34(2)11-12-36-13-15-37(16-14-36)29-32-26-9-7-22(23-8-10-27(38)35(3)20-23)18-25(26)28(33-29)31-19-21-5-4-6-24(30)17-21/h4-10,17-18,20H,11-16,19H2,1-3H3,(H,31,32,33)
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National Institutes of Health

Curated by ChEMBL


Assay Description
Displacement of biotinylated acetylated peptide from recombinant human partial length BRD2 isoform 1 bromodomain 1/2 (K71 to D455 residues) expressed...


Bioorg Med Chem Lett 28: 3483-3488 (2018)


Article DOI: 10.1016/j.bmcl.2018.08.039
BindingDB Entry DOI: 10.7270/Q28S4SKP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50466254
PNG
(CHEMBL4288569)
Show SMILES CN(C)CCN1CCN(CC1)c1nc(NCc2cccc(Cl)c2)c2cc(ccc2n1)-c1ccc(=O)n(C)c1
Show InChI InChI=1S/C29H34ClN7O/c1-34(2)11-12-36-13-15-37(16-14-36)29-32-26-9-7-22(23-8-10-27(38)35(3)20-23)18-25(26)28(33-29)31-19-21-5-4-6-24(30)17-21/h4-10,17-18,20H,11-16,19H2,1-3H3,(H,31,32,33)
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National Institutes of Health

Curated by ChEMBL


Assay Description
Displacement of biotinylated acetylated peptide from recombinant human partial length BRD3 bromodomain 1/2 (P24 to P416 residues) expressed in Escher...


Bioorg Med Chem Lett 28: 3483-3488 (2018)


Article DOI: 10.1016/j.bmcl.2018.08.039
BindingDB Entry DOI: 10.7270/Q28S4SKP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50466254
PNG
(CHEMBL4288569)
Show SMILES CN(C)CCN1CCN(CC1)c1nc(NCc2cccc(Cl)c2)c2cc(ccc2n1)-c1ccc(=O)n(C)c1
Show InChI InChI=1S/C29H34ClN7O/c1-34(2)11-12-36-13-15-37(16-14-36)29-32-26-9-7-22(23-8-10-27(38)35(3)20-23)18-25(26)28(33-29)31-19-21-5-4-6-24(30)17-21/h4-10,17-18,20H,11-16,19H2,1-3H3,(H,31,32,33)
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National Institutes of Health

Curated by ChEMBL


Assay Description
Displacement of biotinylated acetylated peptide from recombinant human partial length BRD3 bromodomain 2 (G306 to P416 residues) expressed in Escheri...


Bioorg Med Chem Lett 28: 3483-3488 (2018)


Article DOI: 10.1016/j.bmcl.2018.08.039
BindingDB Entry DOI: 10.7270/Q28S4SKP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50466254
PNG
(CHEMBL4288569)
Show SMILES CN(C)CCN1CCN(CC1)c1nc(NCc2cccc(Cl)c2)c2cc(ccc2n1)-c1ccc(=O)n(C)c1
Show InChI InChI=1S/C29H34ClN7O/c1-34(2)11-12-36-13-15-37(16-14-36)29-32-26-9-7-22(23-8-10-27(38)35(3)20-23)18-25(26)28(33-29)31-19-21-5-4-6-24(30)17-21/h4-10,17-18,20H,11-16,19H2,1-3H3,(H,31,32,33)
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National Institutes of Health

Curated by ChEMBL


Assay Description
Displacement of biotinylated acetylated peptide from recombinant human partial length BRD4 long isoform bromodomain 1 (N44 to E168 residues) expresse...


Bioorg Med Chem Lett 28: 3483-3488 (2018)


Article DOI: 10.1016/j.bmcl.2018.08.039
BindingDB Entry DOI: 10.7270/Q28S4SKP
More data for this
Ligand-Target Pair
Bromodomain testis-specific protein


(Homo sapiens (Human))
BDBM50466254
PNG
(CHEMBL4288569)
Show SMILES CN(C)CCN1CCN(CC1)c1nc(NCc2cccc(Cl)c2)c2cc(ccc2n1)-c1ccc(=O)n(C)c1
Show InChI InChI=1S/C29H34ClN7O/c1-34(2)11-12-36-13-15-37(16-14-36)29-32-26-9-7-22(23-8-10-27(38)35(3)20-23)18-25(26)28(33-29)31-19-21-5-4-6-24(30)17-21/h4-10,17-18,20H,11-16,19H2,1-3H3,(H,31,32,33)
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National Institutes of Health

Curated by ChEMBL


Assay Description
Displacement of biotinylated acetylated peptide from recombinant human partial length BRDT isoform b bromodomain 1/2 (N21 to E382 residues) expressed...


Bioorg Med Chem Lett 28: 3483-3488 (2018)


Article DOI: 10.1016/j.bmcl.2018.08.039
BindingDB Entry DOI: 10.7270/Q28S4SKP
More data for this
Ligand-Target Pair
Bromodomain testis-specific protein


(Homo sapiens (Human))
BDBM50466254
PNG
(CHEMBL4288569)
Show SMILES CN(C)CCN1CCN(CC1)c1nc(NCc2cccc(Cl)c2)c2cc(ccc2n1)-c1ccc(=O)n(C)c1
Show InChI InChI=1S/C29H34ClN7O/c1-34(2)11-12-36-13-15-37(16-14-36)29-32-26-9-7-22(23-8-10-27(38)35(3)20-23)18-25(26)28(33-29)31-19-21-5-4-6-24(30)17-21/h4-10,17-18,20H,11-16,19H2,1-3H3,(H,31,32,33)
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National Institutes of Health

Curated by ChEMBL


Assay Description
Displacement of biotinylated acetylated peptide from recombinant human partial length BRDT isoform b bromodomain 2 (K250 to E382 residues) expressed ...


Bioorg Med Chem Lett 28: 3483-3488 (2018)


Article DOI: 10.1016/j.bmcl.2018.08.039
BindingDB Entry DOI: 10.7270/Q28S4SKP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50466255
PNG
(CHEMBL4280407)
Show SMILES Cc1noc(C)c1-c1ccc2nc(Cl)nc(NCc3cccc(Cl)c3)c2c1
Show InChI InChI=1S/C20H16Cl2N4O/c1-11-18(12(2)27-26-11)14-6-7-17-16(9-14)19(25-20(22)24-17)23-10-13-4-3-5-15(21)8-13/h3-9H,10H2,1-2H3,(H,23,24,25)
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National Institutes of Health

Curated by ChEMBL


Assay Description
Displacement of biotinylated acetylated peptide from recombinant human partial length BRD4 long isoform bromodomain 1/2 (N44 to E460 residues) expres...


Bioorg Med Chem Lett 28: 3483-3488 (2018)


Article DOI: 10.1016/j.bmcl.2018.08.039
BindingDB Entry DOI: 10.7270/Q28S4SKP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50466256
PNG
(CHEMBL4284925)
Show SMILES CN1CCN(CC1)c1nc(NCc2cccc(Cl)c2)c2cc(ccc2n1)-c1c(C)noc1C
Show InChI InChI=1S/C25H27ClN6O/c1-16-23(17(2)33-30-16)19-7-8-22-21(14-19)24(27-15-18-5-4-6-20(26)13-18)29-25(28-22)32-11-9-31(3)10-12-32/h4-8,13-14H,9-12,15H2,1-3H3,(H,27,28,29)
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n/an/an/a 140n/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Displacement of biotinylated acetylated peptide from recombinant human partial length BRD4 long isoform bromodomain 1/2 (N44 to E460 residues) expres...


Bioorg Med Chem Lett 28: 3483-3488 (2018)


Article DOI: 10.1016/j.bmcl.2018.08.039
BindingDB Entry DOI: 10.7270/Q28S4SKP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50466257
PNG
(CHEMBL4287223)
Show SMILES CN(C)CCN1CCN(CC1)c1nc(NCc2cccc(Cl)c2)c2cc(ccc2n1)-c1c(C)noc1C
Show InChI InChI=1S/C28H34ClN7O/c1-19-26(20(2)37-33-19)22-8-9-25-24(17-22)27(30-18-21-6-5-7-23(29)16-21)32-28(31-25)36-14-12-35(13-15-36)11-10-34(3)4/h5-9,16-17H,10-15,18H2,1-4H3,(H,30,31,32)
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n/an/an/a 56n/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Displacement of biotinylated acetylated peptide from recombinant human partial length BRD4 long isoform bromodomain 1/2 (N44 to E460 residues) expres...


Bioorg Med Chem Lett 28: 3483-3488 (2018)


Article DOI: 10.1016/j.bmcl.2018.08.039
BindingDB Entry DOI: 10.7270/Q28S4SKP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50466258
PNG
(CHEMBL4283862)
Show SMILES CN(C)CCCN1CCN(CC1)c1nc(NCc2cccc(Cl)c2)c2cc(ccc2n1)-c1c(C)noc1C
Show InChI InChI=1S/C29H36ClN7O/c1-20-27(21(2)38-34-20)23-9-10-26-25(18-23)28(31-19-22-7-5-8-24(30)17-22)33-29(32-26)37-15-13-36(14-16-37)12-6-11-35(3)4/h5,7-10,17-18H,6,11-16,19H2,1-4H3,(H,31,32,33)
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n/an/an/a 97n/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Displacement of biotinylated acetylated peptide from recombinant human partial length BRD4 long isoform bromodomain 1/2 (N44 to E460 residues) expres...


Bioorg Med Chem Lett 28: 3483-3488 (2018)


Article DOI: 10.1016/j.bmcl.2018.08.039
BindingDB Entry DOI: 10.7270/Q28S4SKP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50466259
PNG
(CHEMBL4291721)
Show SMILES CC(C)CCN1CCN(CC1)c1nc(NCc2cccc(Cl)c2)c2cc(ccc2n1)-c1c(C)noc1C
Show InChI InChI=1S/C29H35ClN6O/c1-19(2)10-11-35-12-14-36(15-13-35)29-32-26-9-8-23(27-20(3)34-37-21(27)4)17-25(26)28(33-29)31-18-22-6-5-7-24(30)16-22/h5-9,16-17,19H,10-15,18H2,1-4H3,(H,31,32,33)
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n/an/an/a 980n/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Displacement of biotinylated acetylated peptide from recombinant human partial length BRD4 long isoform bromodomain 1/2 (N44 to E460 residues) expres...


Bioorg Med Chem Lett 28: 3483-3488 (2018)


Article DOI: 10.1016/j.bmcl.2018.08.039
BindingDB Entry DOI: 10.7270/Q28S4SKP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50466260
PNG
(CHEMBL4285357)
Show SMILES CN(C)CCN1CCCN(CC1)c1nc(NCc2cccc(Cl)c2)c2cc(ccc2n1)-c1c(C)noc1C
Show InChI InChI=1S/C29H36ClN7O/c1-20-27(21(2)38-34-20)23-9-10-26-25(18-23)28(31-19-22-7-5-8-24(30)17-22)33-29(32-26)37-12-6-11-36(15-16-37)14-13-35(3)4/h5,7-10,17-18H,6,11-16,19H2,1-4H3,(H,31,32,33)
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n/an/an/a 150n/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Displacement of biotinylated acetylated peptide from recombinant human partial length BRD4 long isoform bromodomain 1/2 (N44 to E460 residues) expres...


Bioorg Med Chem Lett 28: 3483-3488 (2018)


Article DOI: 10.1016/j.bmcl.2018.08.039
BindingDB Entry DOI: 10.7270/Q28S4SKP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50466261
PNG
(CHEMBL4279367)
Show SMILES Cc1noc(C)c1-c1ccc2nc(nc(NCc3cccc(Cl)c3)c2c1)N1CCN(CC1)C(=O)CO
Show InChI InChI=1S/C26H27ClN6O3/c1-16-24(17(2)36-31-16)19-6-7-22-21(13-19)25(28-14-18-4-3-5-20(27)12-18)30-26(29-22)33-10-8-32(9-11-33)23(35)15-34/h3-7,12-13,34H,8-11,14-15H2,1-2H3,(H,28,29,30)
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n/an/an/a 71n/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Displacement of biotinylated acetylated peptide from recombinant human partial length BRD4 long isoform bromodomain 1/2 (N44 to E460 residues) expres...


Bioorg Med Chem Lett 28: 3483-3488 (2018)


Article DOI: 10.1016/j.bmcl.2018.08.039
BindingDB Entry DOI: 10.7270/Q28S4SKP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50466262
PNG
(CHEMBL4294517)
Show SMILES Cc1noc(C)c1-c1ccc2nc(nc(NCc3cccc(Cl)c3)c2c1)-c1ccc(CO)nc1
Show InChI InChI=1S/C26H22ClN5O2/c1-15-24(16(2)34-32-15)18-7-9-23-22(11-18)26(29-12-17-4-3-5-20(27)10-17)31-25(30-23)19-6-8-21(14-33)28-13-19/h3-11,13,33H,12,14H2,1-2H3,(H,29,30,31)
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n/an/an/a 250n/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Displacement of biotinylated acetylated peptide from recombinant human partial length BRD4 long isoform bromodomain 1/2 (N44 to E460 residues) expres...


Bioorg Med Chem Lett 28: 3483-3488 (2018)


Article DOI: 10.1016/j.bmcl.2018.08.039
BindingDB Entry DOI: 10.7270/Q28S4SKP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50466263
PNG
(CHEMBL4286208)
Show SMILES Cc1noc(C)c1-c1ccc2nc(nc(NCc3cccc(Cl)c3)c2c1)-c1cnn(CCO)c1
Show InChI InChI=1S/C25H23ClN6O2/c1-15-23(16(2)34-31-15)18-6-7-22-21(11-18)25(27-12-17-4-3-5-20(26)10-17)30-24(29-22)19-13-28-32(14-19)8-9-33/h3-7,10-11,13-14,33H,8-9,12H2,1-2H3,(H,27,29,30)
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n/an/an/a 95n/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Displacement of biotinylated acetylated peptide from recombinant human partial length BRD4 long isoform bromodomain 1/2 (N44 to E460 residues) expres...


Bioorg Med Chem Lett 28: 3483-3488 (2018)


Article DOI: 10.1016/j.bmcl.2018.08.039
BindingDB Entry DOI: 10.7270/Q28S4SKP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50466264
PNG
(CHEMBL4282820)
Show SMILES Cc1noc(C)c1-c1ccc2nc(nc(NCc3cccc(Cl)c3)c2c1)-c1cnn(CCC#N)c1
Show InChI InChI=1S/C26H22ClN7O/c1-16-24(17(2)35-33-16)19-7-8-23-22(12-19)26(29-13-18-5-3-6-21(27)11-18)32-25(31-23)20-14-30-34(15-20)10-4-9-28/h3,5-8,11-12,14-15H,4,10,13H2,1-2H3,(H,29,31,32)
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n/an/an/a 120n/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Displacement of biotinylated acetylated peptide from recombinant human partial length BRD4 long isoform bromodomain 1/2 (N44 to E460 residues) expres...


Bioorg Med Chem Lett 28: 3483-3488 (2018)


Article DOI: 10.1016/j.bmcl.2018.08.039
BindingDB Entry DOI: 10.7270/Q28S4SKP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50466265
PNG
(CHEMBL4293018)
Show SMILES Cc1noc(C)c1-c1ccc2nc(nc(NCc3cccc(Cl)c3)c2c1)-c1cnn(CC(N)=O)c1
Show InChI InChI=1S/C25H22ClN7O2/c1-14-23(15(2)35-32-14)17-6-7-21-20(9-17)25(28-10-16-4-3-5-19(26)8-16)31-24(30-21)18-11-29-33(12-18)13-22(27)34/h3-9,11-12H,10,13H2,1-2H3,(H2,27,34)(H,28,30,31)
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n/an/an/a 130n/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Displacement of biotinylated acetylated peptide from recombinant human partial length BRD4 long isoform bromodomain 1/2 (N44 to E460 residues) expres...


Bioorg Med Chem Lett 28: 3483-3488 (2018)


Article DOI: 10.1016/j.bmcl.2018.08.039
BindingDB Entry DOI: 10.7270/Q28S4SKP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50466266
PNG
(CHEMBL4284430)
Show SMILES CN1CCC(CC1)NC(=O)c1nc(NCc2cccc(Cl)c2)c2cc(ccc2n1)-c1c(C)noc1C
Show InChI InChI=1S/C27H29ClN6O2/c1-16-24(17(2)36-33-16)19-7-8-23-22(14-19)25(29-15-18-5-4-6-20(28)13-18)32-26(31-23)27(35)30-21-9-11-34(3)12-10-21/h4-8,13-14,21H,9-12,15H2,1-3H3,(H,30,35)(H,29,31,32)
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n/an/an/a 80n/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Displacement of biotinylated acetylated peptide from recombinant human partial length BRD4 long isoform bromodomain 1/2 (N44 to E460 residues) expres...


Bioorg Med Chem Lett 28: 3483-3488 (2018)


Article DOI: 10.1016/j.bmcl.2018.08.039
BindingDB Entry DOI: 10.7270/Q28S4SKP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50466267
PNG
(CHEMBL4279928)
Show SMILES Cc1noc(C)c1-c1ccc2nc(nc(NCc3cccc(Cl)c3)c2c1)C(=O)NC1CCOCC1
Show InChI InChI=1S/C26H26ClN5O3/c1-15-23(16(2)35-32-15)18-6-7-22-21(13-18)24(28-14-17-4-3-5-19(27)12-17)31-25(30-22)26(33)29-20-8-10-34-11-9-20/h3-7,12-13,20H,8-11,14H2,1-2H3,(H,29,33)(H,28,30,31)
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n/an/an/a 79n/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Displacement of biotinylated acetylated peptide from recombinant human partial length BRD4 long isoform bromodomain 1/2 (N44 to E460 residues) expres...


Bioorg Med Chem Lett 28: 3483-3488 (2018)


Article DOI: 10.1016/j.bmcl.2018.08.039
BindingDB Entry DOI: 10.7270/Q28S4SKP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50466268
PNG
(CHEMBL4287837)
Show SMILES Cc1noc(C)c1-c1ccc2nc(nc(NCc3cccc(Cl)c3)c2c1)C(=O)NCc1cccnc1
Show InChI InChI=1S/C27H23ClN6O2/c1-16-24(17(2)36-34-16)20-8-9-23-22(12-20)25(30-14-18-5-3-7-21(28)11-18)33-26(32-23)27(35)31-15-19-6-4-10-29-13-19/h3-13H,14-15H2,1-2H3,(H,31,35)(H,30,32,33)
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n/an/an/a 56n/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Displacement of biotinylated acetylated peptide from recombinant human partial length BRD4 long isoform bromodomain 1/2 (N44 to E460 residues) expres...


Bioorg Med Chem Lett 28: 3483-3488 (2018)


Article DOI: 10.1016/j.bmcl.2018.08.039
BindingDB Entry DOI: 10.7270/Q28S4SKP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50466269
PNG
(CHEMBL4284784)
Show SMILES CN(C)CCN1CCN(CC1)c1nc(NCc2cccc(Cl)c2)c2cc(ccc2n1)-c1c(C)n[nH]c1C
Show InChI InChI=1S/C28H35ClN8/c1-19-26(20(2)34-33-19)22-8-9-25-24(17-22)27(30-18-21-6-5-7-23(29)16-21)32-28(31-25)37-14-12-36(13-15-37)11-10-35(3)4/h5-9,16-17H,10-15,18H2,1-4H3,(H,33,34)(H,30,31,32)
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n/an/an/a 1.50E+3n/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Displacement of biotinylated acetylated peptide from recombinant human partial length BRD4 long isoform bromodomain 1/2 (N44 to E460 residues) expres...


Bioorg Med Chem Lett 28: 3483-3488 (2018)


Article DOI: 10.1016/j.bmcl.2018.08.039
BindingDB Entry DOI: 10.7270/Q28S4SKP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50466270
PNG
(CHEMBL4279500)
Show SMILES CN(C)CCN1CCN(CC1)c1nc(NCc2cccc(Cl)c2)c2cc(ccc2n1)-c1cnoc1C
Show InChI InChI=1S/C27H32ClN7O/c1-19-24(18-30-36-19)21-7-8-25-23(16-21)26(29-17-20-5-4-6-22(28)15-20)32-27(31-25)35-13-11-34(12-14-35)10-9-33(2)3/h4-8,15-16,18H,9-14,17H2,1-3H3,(H,29,31,32)
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n/an/an/a 1.10E+3n/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Displacement of biotinylated acetylated peptide from recombinant human partial length BRD4 long isoform bromodomain 1/2 (N44 to E460 residues) expres...


Bioorg Med Chem Lett 28: 3483-3488 (2018)


Article DOI: 10.1016/j.bmcl.2018.08.039
BindingDB Entry DOI: 10.7270/Q28S4SKP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50466271
PNG
(CHEMBL4291670)
Show SMILES Cc1noc(C)c1-c1ccc2nc(nc(NCc3cccc(Cl)c3)c2c1)C(=O)Nc1cnn(C)c1
Show InChI InChI=1S/C25H22ClN7O2/c1-14-22(15(2)35-32-14)17-7-8-21-20(10-17)23(27-11-16-5-4-6-18(26)9-16)31-24(30-21)25(34)29-19-12-28-33(3)13-19/h4-10,12-13H,11H2,1-3H3,(H,29,34)(H,27,30,31)
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n/an/an/a 290n/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Displacement of biotinylated acetylated peptide from recombinant human partial length BRD4 long isoform bromodomain 1/2 (N44 to E460 residues) expres...


Bioorg Med Chem Lett 28: 3483-3488 (2018)


Article DOI: 10.1016/j.bmcl.2018.08.039
BindingDB Entry DOI: 10.7270/Q28S4SKP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50466272
PNG
(CHEMBL4277601)
Show SMILES Cc1noc(C)c1-c1ccc2nc(nc(NCc3cccc(Cl)c3)c2c1)C(=O)NCc1cnn(C)c1
Show InChI InChI=1S/C26H24ClN7O2/c1-15-23(16(2)36-33-15)19-7-8-22-21(10-19)24(28-11-17-5-4-6-20(27)9-17)32-25(31-22)26(35)29-12-18-13-30-34(3)14-18/h4-10,13-14H,11-12H2,1-3H3,(H,29,35)(H,28,31,32)
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n/an/an/a 59n/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Displacement of biotinylated acetylated peptide from recombinant human partial length BRD4 long isoform bromodomain 1/2 (N44 to E460 residues) expres...


Bioorg Med Chem Lett 28: 3483-3488 (2018)


Article DOI: 10.1016/j.bmcl.2018.08.039
BindingDB Entry DOI: 10.7270/Q28S4SKP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50466273
PNG
(CHEMBL4288183)
Show SMILES CN(C)CCN1CCN(CC1)c1nc(NCc2cccc(Cl)c2)c2cc(ccc2n1)-c1cnc(O)c(C)c1
Show InChI InChI=1S/C29H34ClN7O/c1-20-15-23(19-32-28(20)38)22-7-8-26-25(17-22)27(31-18-21-5-4-6-24(30)16-21)34-29(33-26)37-13-11-36(12-14-37)10-9-35(2)3/h4-8,15-17,19H,9-14,18H2,1-3H3,(H,32,38)(H,31,33,34)
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n/an/an/a 310n/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Displacement of biotinylated acetylated peptide from recombinant human partial length BRD4 long isoform bromodomain 1/2 (N44 to E460 residues) expres...


Bioorg Med Chem Lett 28: 3483-3488 (2018)


Article DOI: 10.1016/j.bmcl.2018.08.039
BindingDB Entry DOI: 10.7270/Q28S4SKP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50466274
PNG
(CHEMBL4277918)
Show SMILES CN(C)CCN1CCN(CC1)c1nc(NCc2cccc(Cl)c2)c2cc(ccc2n1)-c1ccn(C)c(=O)c1
Show InChI InChI=1S/C29H34ClN7O/c1-34(2)11-12-36-13-15-37(16-14-36)29-32-26-8-7-22(23-9-10-35(3)27(38)19-23)18-25(26)28(33-29)31-20-21-5-4-6-24(30)17-21/h4-10,17-19H,11-16,20H2,1-3H3,(H,31,32,33)
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n/an/an/a 7.10E+3n/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Displacement of biotinylated acetylated peptide from recombinant human partial length BRD4 long isoform bromodomain 1/2 (N44 to E460 residues) expres...


Bioorg Med Chem Lett 28: 3483-3488 (2018)


Article DOI: 10.1016/j.bmcl.2018.08.039
BindingDB Entry DOI: 10.7270/Q28S4SKP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50466254
PNG
(CHEMBL4288569)
Show SMILES CN(C)CCN1CCN(CC1)c1nc(NCc2cccc(Cl)c2)c2cc(ccc2n1)-c1ccc(=O)n(C)c1
Show InChI InChI=1S/C29H34ClN7O/c1-34(2)11-12-36-13-15-37(16-14-36)29-32-26-9-7-22(23-8-10-27(38)35(3)20-23)18-25(26)28(33-29)31-19-21-5-4-6-24(30)17-21/h4-10,17-18,20H,11-16,19H2,1-3H3,(H,31,32,33)
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n/an/an/a 44n/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Displacement of biotinylated acetylated peptide from recombinant human partial length BRD4 long isoform bromodomain 1/2 (N44 to E460 residues) expres...


Bioorg Med Chem Lett 28: 3483-3488 (2018)


Article DOI: 10.1016/j.bmcl.2018.08.039
BindingDB Entry DOI: 10.7270/Q28S4SKP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50466275
PNG
(CHEMBL4281787)
Show SMILES CN(C)CCN1CCN(CC1)c1nc(NCc2cncc(Cl)c2)c2cc(ccc2n1)-c1c(C)noc1C
Show InChI InChI=1S/C27H33ClN8O/c1-18-25(19(2)37-33-18)21-5-6-24-23(14-21)26(30-16-20-13-22(28)17-29-15-20)32-27(31-24)36-11-9-35(10-12-36)8-7-34(3)4/h5-6,13-15,17H,7-12,16H2,1-4H3,(H,30,31,32)
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n/an/an/a 79n/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Displacement of biotinylated acetylated peptide from recombinant human partial length BRD4 long isoform bromodomain 1/2 (N44 to E460 residues) expres...


Bioorg Med Chem Lett 28: 3483-3488 (2018)


Article DOI: 10.1016/j.bmcl.2018.08.039
BindingDB Entry DOI: 10.7270/Q28S4SKP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50466276
PNG
(CHEMBL4291996)
Show SMILES CN(C)CCN1CCN(CC1)c1nc(NCc2cc(Cl)ccn2)c2cc(ccc2n1)-c1c(C)noc1C
Show InChI InChI=1S/C27H33ClN8O/c1-18-25(19(2)37-33-18)20-5-6-24-23(15-20)26(30-17-22-16-21(28)7-8-29-22)32-27(31-24)36-13-11-35(12-14-36)10-9-34(3)4/h5-8,15-16H,9-14,17H2,1-4H3,(H,30,31,32)
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n/an/an/a 110n/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Displacement of biotinylated acetylated peptide from recombinant human partial length BRD4 long isoform bromodomain 1/2 (N44 to E460 residues) expres...


Bioorg Med Chem Lett 28: 3483-3488 (2018)


Article DOI: 10.1016/j.bmcl.2018.08.039
BindingDB Entry DOI: 10.7270/Q28S4SKP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50466277
PNG
(CHEMBL4281384)
Show SMILES CN(C)CCN1CCN(CC1)c1nc(NCc2cccs2)c2cc(ccc2n1)-c1c(C)noc1C
Show InChI InChI=1S/C26H33N7OS/c1-18-24(19(2)34-30-18)20-7-8-23-22(16-20)25(27-17-21-6-5-15-35-21)29-26(28-23)33-13-11-32(12-14-33)10-9-31(3)4/h5-8,15-16H,9-14,17H2,1-4H3,(H,27,28,29)
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n/an/an/a 150n/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Displacement of biotinylated acetylated peptide from recombinant human partial length BRD4 long isoform bromodomain 1/2 (N44 to E460 residues) expres...


Bioorg Med Chem Lett 28: 3483-3488 (2018)


Article DOI: 10.1016/j.bmcl.2018.08.039
BindingDB Entry DOI: 10.7270/Q28S4SKP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50466278
PNG
(CHEMBL4277922)
Show SMILES CN(C)CCN1CCN(CC1)c1nc(NCCc2ccc(Cl)cc2)c2cc(ccc2n1)-c1c(C)noc1C
Show InChI InChI=1S/C29H36ClN7O/c1-20-27(21(2)38-34-20)23-7-10-26-25(19-23)28(31-12-11-22-5-8-24(30)9-6-22)33-29(32-26)37-17-15-36(16-18-37)14-13-35(3)4/h5-10,19H,11-18H2,1-4H3,(H,31,32,33)
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n/an/an/a 3.00E+3n/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Displacement of biotinylated acetylated peptide from recombinant human partial length BRD4 long isoform bromodomain 1/2 (N44 to E460 residues) expres...


Bioorg Med Chem Lett 28: 3483-3488 (2018)


Article DOI: 10.1016/j.bmcl.2018.08.039
BindingDB Entry DOI: 10.7270/Q28S4SKP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50466279
PNG
(CHEMBL4285230)
Show SMILES CN(C)CCN1CCN(CC1)c1nc(N(C)Cc2cccc(Cl)c2)c2cc(ccc2n1)-c1c(C)noc1C
Show InChI InChI=1S/C29H36ClN7O/c1-20-27(21(2)38-33-20)23-9-10-26-25(18-23)28(35(5)19-22-7-6-8-24(30)17-22)32-29(31-26)37-15-13-36(14-16-37)12-11-34(3)4/h6-10,17-18H,11-16,19H2,1-5H3
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n/an/an/a 270n/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Displacement of biotinylated acetylated peptide from recombinant human partial length BRD4 long isoform bromodomain 1/2 (N44 to E460 residues) expres...


Bioorg Med Chem Lett 28: 3483-3488 (2018)


Article DOI: 10.1016/j.bmcl.2018.08.039
BindingDB Entry DOI: 10.7270/Q28S4SKP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50466280
PNG
(CHEMBL4289669)
Show SMILES CN(C)CCN1CCN(CC1)c1nc(N[C@@H](CO)c2ccccc2)c2cc(ccc2n1)-c1c(C)noc1C |r|
Show InChI InChI=1S/C29H37N7O2/c1-20-27(21(2)38-33-20)23-10-11-25-24(18-23)28(30-26(19-37)22-8-6-5-7-9-22)32-29(31-25)36-16-14-35(15-17-36)13-12-34(3)4/h5-11,18,26,37H,12-17,19H2,1-4H3,(H,30,31,32)/t26-/m0/s1
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n/an/an/a 130n/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Displacement of biotinylated acetylated peptide from recombinant human partial length BRD4 long isoform bromodomain 1/2 (N44 to E460 residues) expres...


Bioorg Med Chem Lett 28: 3483-3488 (2018)


Article DOI: 10.1016/j.bmcl.2018.08.039
BindingDB Entry DOI: 10.7270/Q28S4SKP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50466281
PNG
(CHEMBL4286252)
Show SMILES CN(C)CCN1CCN(CC1)c1nc(N2CCCC2c2ccccc2)c2cc(ccc2n1)-c1c(C)noc1C
Show InChI InChI=1S/C31H39N7O/c1-22-29(23(2)39-34-22)25-12-13-27-26(21-25)30(38-14-8-11-28(38)24-9-6-5-7-10-24)33-31(32-27)37-19-17-36(18-20-37)16-15-35(3)4/h5-7,9-10,12-13,21,28H,8,11,14-20H2,1-4H3
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n/an/an/a 250n/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Displacement of biotinylated acetylated peptide from recombinant human partial length BRD4 long isoform bromodomain 1/2 (N44 to E460 residues) expres...


Bioorg Med Chem Lett 28: 3483-3488 (2018)


Article DOI: 10.1016/j.bmcl.2018.08.039
BindingDB Entry DOI: 10.7270/Q28S4SKP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50466282
PNG
(CHEMBL4294022)
Show SMILES CN(C)CCN1CCN(CC1)c1nc(N2CCOCC2c2ccccc2)c2cc(ccc2n1)-c1c(C)noc1C
Show InChI InChI=1S/C31H39N7O2/c1-22-29(23(2)40-34-22)25-10-11-27-26(20-25)30(38-18-19-39-21-28(38)24-8-6-5-7-9-24)33-31(32-27)37-16-14-36(15-17-37)13-12-35(3)4/h5-11,20,28H,12-19,21H2,1-4H3
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n/an/an/a 28n/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Displacement of biotinylated acetylated peptide from recombinant human partial length BRD4 long isoform bromodomain 1/2 (N44 to E460 residues) expres...


Bioorg Med Chem Lett 28: 3483-3488 (2018)


Article DOI: 10.1016/j.bmcl.2018.08.039
BindingDB Entry DOI: 10.7270/Q28S4SKP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50466283
PNG
(CHEMBL4278881)
Show SMILES Cc1noc(C)c1-c1ccc2[nH]c(=O)cc(NCc3cccc(Cl)c3)c2c1
Show InChI InChI=1S/C21H18ClN3O2/c1-12-21(13(2)27-25-12)15-6-7-18-17(9-15)19(10-20(26)24-18)23-11-14-4-3-5-16(22)8-14/h3-10H,11H2,1-2H3,(H2,23,24,26)
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n/an/an/a 55n/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Displacement of biotinylated acetylated peptide from recombinant human partial length BRD4 long isoform bromodomain 1/2 (N44 to E460 residues) expres...


Bioorg Med Chem Lett 28: 3483-3488 (2018)


Article DOI: 10.1016/j.bmcl.2018.08.039
BindingDB Entry DOI: 10.7270/Q28S4SKP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50466254
PNG
(CHEMBL4288569)
Show SMILES CN(C)CCN1CCN(CC1)c1nc(NCc2cccc(Cl)c2)c2cc(ccc2n1)-c1ccc(=O)n(C)c1
Show InChI InChI=1S/C29H34ClN7O/c1-34(2)11-12-36-13-15-37(16-14-36)29-32-26-9-7-22(23-8-10-27(38)35(3)20-23)18-25(26)28(33-29)31-19-21-5-4-6-24(30)17-21/h4-10,17-18,20H,11-16,19H2,1-3H3,(H,31,32,33)
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n/an/an/a 50n/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Displacement of biotinylated acetylated peptide from recombinant human partial length BRD4 long isoform bromodomain 2 (K333 to E460 residues) express...


Bioorg Med Chem Lett 28: 3483-3488 (2018)


Article DOI: 10.1016/j.bmcl.2018.08.039
BindingDB Entry DOI: 10.7270/Q28S4SKP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50466284
PNG
(CHEMBL4281025)
Show SMILES CN(C)CCN1CCN(CC1)c1nc(NCc2cccc(Cl)c2)c2ccc(cc2n1)-c1c(C)noc1C
Show InChI InChI=1S/C28H34ClN7O/c1-19-26(20(2)37-33-19)22-8-9-24-25(17-22)31-28(36-14-12-35(13-15-36)11-10-34(3)4)32-27(24)30-18-21-6-5-7-23(29)16-21/h5-9,16-17H,10-15,18H2,1-4H3,(H,30,31,32)
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n/an/an/a 610n/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Displacement of biotinylated acetylated peptide from recombinant human partial length BRD4 long isoform bromodomain 1/2 (N44 to E460 residues) expres...


Bioorg Med Chem Lett 28: 3483-3488 (2018)


Article DOI: 10.1016/j.bmcl.2018.08.039
BindingDB Entry DOI: 10.7270/Q28S4SKP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50466254
PNG
(CHEMBL4288569)
Show SMILES CN(C)CCN1CCN(CC1)c1nc(NCc2cccc(Cl)c2)c2cc(ccc2n1)-c1ccc(=O)n(C)c1
Show InChI InChI=1S/C29H34ClN7O/c1-34(2)11-12-36-13-15-37(16-14-36)29-32-26-9-7-22(23-8-10-27(38)35(3)20-23)18-25(26)28(33-29)31-19-21-5-4-6-24(30)17-21/h4-10,17-18,20H,11-16,19H2,1-3H3,(H,31,32,33)
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n/an/an/a 21n/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Displacement of biotinylated acetylated peptide from recombinant human partial length BRD3 bromodomain 1 (P24 to E144 residues) expressed in Escheric...


Bioorg Med Chem Lett 28: 3483-3488 (2018)


Article DOI: 10.1016/j.bmcl.2018.08.039
BindingDB Entry DOI: 10.7270/Q28S4SKP
More data for this
Ligand-Target Pair
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