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Compile Data Set for Download or QSAR

Found 82 hits with Last Name = 'talluri' and Initial = 'sk'   
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))
BDBM50443232
PNG
(CHEMBL3086883)
Show SMILES Cc1cc(N=Nc2ccc(cc2)S(=O)(=O)Nc2ccccn2)c(N)cc1O |w:4.3|
Show InChI InChI=1S/C18H17N5O3S/c1-12-10-16(15(19)11-17(12)24)22-21-13-5-7-14(8-6-13)27(25,26)23-18-4-2-3-9-20-18/h2-11,24H,19H2,1H3,(H,20,23)
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<85n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human 6x-His-tagged BRD4 bromodomain 1 expressed in Escherichia coli


J Med Chem 61: 9316-9334 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01248
BindingDB Entry DOI: 10.7270/Q25T3PRQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50443232
PNG
(CHEMBL3086883)
Show SMILES Cc1cc(N=Nc2ccc(cc2)S(=O)(=O)Nc2ccccn2)c(N)cc1O |w:4.3|
Show InChI InChI=1S/C18H17N5O3S/c1-12-10-16(15(19)11-17(12)24)22-21-13-5-7-14(8-6-13)27(25,26)23-18-4-2-3-9-20-18/h2-11,24H,19H2,1H3,(H,20,23)
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100n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human 6x-His-tagged BRD3 bromodomain 1 expressed in Escherichia coli


J Med Chem 61: 9316-9334 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01248
BindingDB Entry DOI: 10.7270/Q25T3PRQ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50443232
PNG
(CHEMBL3086883)
Show SMILES Cc1cc(N=Nc2ccc(cc2)S(=O)(=O)Nc2ccccn2)c(N)cc1O |w:4.3|
Show InChI InChI=1S/C18H17N5O3S/c1-12-10-16(15(19)11-17(12)24)22-21-13-5-7-14(8-6-13)27(25,26)23-18-4-2-3-9-20-18/h2-11,24H,19H2,1H3,(H,20,23)
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140n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human 6x-His-tagged BRD3 bromodomain 2 expressed in Escherichia coli


J Med Chem 61: 9316-9334 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01248
BindingDB Entry DOI: 10.7270/Q25T3PRQ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50443232
PNG
(CHEMBL3086883)
Show SMILES Cc1cc(N=Nc2ccc(cc2)S(=O)(=O)Nc2ccccn2)c(N)cc1O |w:4.3|
Show InChI InChI=1S/C18H17N5O3S/c1-12-10-16(15(19)11-17(12)24)22-21-13-5-7-14(8-6-13)27(25,26)23-18-4-2-3-9-20-18/h2-11,24H,19H2,1H3,(H,20,23)
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340n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human 6x-His-tagged BRD4 bromodomain 2 expressed in Escherichia coli


J Med Chem 61: 9316-9334 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01248
BindingDB Entry DOI: 10.7270/Q25T3PRQ
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 470n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human 6x-His-tagged BRD4 bromodomain 1 expressed in Escherichia coli


J Med Chem 61: 9316-9334 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01248
BindingDB Entry DOI: 10.7270/Q25T3PRQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50365262
PNG
((+)-JQ1 | (S)-JQ1 (1) | CHEMBL1957266 | JQ1 | US10...)
Show SMILES Cc1nnc2[C@H](CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |r,c:14|
Show InChI InChI=1S/C23H25ClN4O2S/c1-12-13(2)31-22-19(12)20(15-7-9-16(24)10-8-15)25-17(11-18(29)30-23(4,5)6)21-27-26-14(3)28(21)22/h7-10,17H,11H2,1-6H3/t17-/m0/s1
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n/an/a 490n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of BRD4 bromodomain 2 (unknown origin) expressed in Escherichia coli Bl21(DE3) by fluorescence anisotropy


J Med Chem 61: 9316-9334 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01248
BindingDB Entry DOI: 10.7270/Q25T3PRQ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50503386
PNG
(CHEMBL4441390)
Show SMILES Cc1nnn(C2CCNCC2)c1-c1ccnc(Nc2cc(C)cc(C)c2)n1
Show InChI InChI=1S/C20H25N7/c1-13-10-14(2)12-16(11-13)23-20-22-9-6-18(24-20)19-15(3)25-26-27(19)17-4-7-21-8-5-17/h6,9-12,17,21H,4-5,7-8H2,1-3H3,(H,22,23,24)
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n/an/a 560n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of BRD4 C-terminal bromodomain 2 (unknown origin) expressed in Escherichia coli Bl21(DE3) by alpha-screen assay


J Med Chem 61: 9316-9334 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01248
BindingDB Entry DOI: 10.7270/Q25T3PRQ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50365262
PNG
((+)-JQ1 | (S)-JQ1 (1) | CHEMBL1957266 | JQ1 | US10...)
Show SMILES Cc1nnc2[C@H](CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |r,c:14|
Show InChI InChI=1S/C23H25ClN4O2S/c1-12-13(2)31-22-19(12)20(15-7-9-16(24)10-8-15)25-17(11-18(29)30-23(4,5)6)21-27-26-14(3)28(21)22/h7-10,17H,11H2,1-6H3/t17-/m0/s1
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n/an/a 590n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Displacement of Fl-JQ1 from BRD4 C-terminal bromodomain 2 H437D mutant (unknown origin) expressed in Escherichia coli Bl21(DE3) by fluorescence polar...


J Med Chem 61: 9316-9334 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01248
BindingDB Entry DOI: 10.7270/Q25T3PRQ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50503386
PNG
(CHEMBL4441390)
Show SMILES Cc1nnn(C2CCNCC2)c1-c1ccnc(Nc2cc(C)cc(C)c2)n1
Show InChI InChI=1S/C20H25N7/c1-13-10-14(2)12-16(11-13)23-20-22-9-6-18(24-20)19-15(3)25-26-27(19)17-4-7-21-8-5-17/h6,9-12,17,21H,4-5,7-8H2,1-3H3,(H,22,23,24)
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n/an/a 770n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of BRD3 N-terminal bromodomain 1 (unknown origin) expressed in Escherichia coli Bl21(DE3) by alpha-screen assay


J Med Chem 61: 9316-9334 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01248
BindingDB Entry DOI: 10.7270/Q25T3PRQ
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



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human 6x-His-tagged BRD4 bromodomain 2 expressed in Escherichia coli


J Med Chem 61: 9316-9334 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01248
BindingDB Entry DOI: 10.7270/Q25T3PRQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50503386
PNG
(CHEMBL4441390)
Show SMILES Cc1nnn(C2CCNCC2)c1-c1ccnc(Nc2cc(C)cc(C)c2)n1
Show InChI InChI=1S/C20H25N7/c1-13-10-14(2)12-16(11-13)23-20-22-9-6-18(24-20)19-15(3)25-26-27(19)17-4-7-21-8-5-17/h6,9-12,17,21H,4-5,7-8H2,1-3H3,(H,22,23,24)
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n/an/a 1.30E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of BRD4 N-terminal bromodomain 1 (unknown origin) expressed in Escherichia coli Bl21(DE3) by alpha-screen assay


J Med Chem 61: 9316-9334 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01248
BindingDB Entry DOI: 10.7270/Q25T3PRQ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50503389
PNG
(CHEMBL4452281)
Show SMILES Cc1ccc(Nc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(F)cc2)cc1C
Show InChI InChI=1S/C26H27FN6/c1-17-3-8-21(15-18(17)2)31-26-29-14-11-23(32-26)25-24(19-4-6-20(27)7-5-19)30-16-33(25)22-9-12-28-13-10-22/h3-8,11,14-16,22,28H,9-10,12-13H2,1-2H3,(H,29,31,32)
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n/an/a 1.30E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of BRD4 bromodomain 1 (unknown origin) expressed in Escherichia coli Bl21(DE3) by fluorescence anisotropy


J Med Chem 61: 9316-9334 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01248
BindingDB Entry DOI: 10.7270/Q25T3PRQ
More data for this
Ligand-Target Pair
Bromodomain testis-specific protein


(Homo sapiens (Human))
BDBM50503386
PNG
(CHEMBL4441390)
Show SMILES Cc1nnn(C2CCNCC2)c1-c1ccnc(Nc2cc(C)cc(C)c2)n1
Show InChI InChI=1S/C20H25N7/c1-13-10-14(2)12-16(11-13)23-20-22-9-6-18(24-20)19-15(3)25-26-27(19)17-4-7-21-8-5-17/h6,9-12,17,21H,4-5,7-8H2,1-3H3,(H,22,23,24)
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n/an/a 1.60E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of BRDT N-terminal bromodomain 1 (unknown origin) expressed in Escherichia coli Bl21(DE3) by alpha-screen assay


J Med Chem 61: 9316-9334 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01248
BindingDB Entry DOI: 10.7270/Q25T3PRQ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50503388
PNG
(CHEMBL4521096)
Show SMILES Cc1cc(C)cc(Nc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(F)cc2)c1
Show InChI InChI=1S/C26H27FN6/c1-17-13-18(2)15-21(14-17)31-26-29-12-9-23(32-26)25-24(19-3-5-20(27)6-4-19)30-16-33(25)22-7-10-28-11-8-22/h3-6,9,12-16,22,28H,7-8,10-11H2,1-2H3,(H,29,31,32)
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n/an/a 1.70E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of BRD4 bromodomain 1 (unknown origin) expressed in Escherichia coli Bl21(DE3) by fluorescence anisotropy


J Med Chem 61: 9316-9334 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01248
BindingDB Entry DOI: 10.7270/Q25T3PRQ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50503386
PNG
(CHEMBL4441390)
Show SMILES Cc1nnn(C2CCNCC2)c1-c1ccnc(Nc2cc(C)cc(C)c2)n1
Show InChI InChI=1S/C20H25N7/c1-13-10-14(2)12-16(11-13)23-20-22-9-6-18(24-20)19-15(3)25-26-27(19)17-4-7-21-8-5-17/h6,9-12,17,21H,4-5,7-8H2,1-3H3,(H,22,23,24)
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n/an/a 1.80E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of BRD2 N-terminal bromodomain 1 (unknown origin) expressed in Escherichia coli Bl21(DE3) by alpha-screen assay


J Med Chem 61: 9316-9334 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01248
BindingDB Entry DOI: 10.7270/Q25T3PRQ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50503388
PNG
(CHEMBL4521096)
Show SMILES Cc1cc(C)cc(Nc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(F)cc2)c1
Show InChI InChI=1S/C26H27FN6/c1-17-13-18(2)15-21(14-17)31-26-29-12-9-23(32-26)25-24(19-3-5-20(27)6-4-19)30-16-33(25)22-7-10-28-11-8-22/h3-6,9,12-16,22,28H,7-8,10-11H2,1-2H3,(H,29,31,32)
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n/an/a 1.80E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of BRD4 N-terminal bromodomain 1 (unknown origin) expressed in Escherichia coli Bl21(DE3) by alpha-screen assay


J Med Chem 61: 9316-9334 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01248
BindingDB Entry DOI: 10.7270/Q25T3PRQ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50503386
PNG
(CHEMBL4441390)
Show SMILES Cc1nnn(C2CCNCC2)c1-c1ccnc(Nc2cc(C)cc(C)c2)n1
Show InChI InChI=1S/C20H25N7/c1-13-10-14(2)12-16(11-13)23-20-22-9-6-18(24-20)19-15(3)25-26-27(19)17-4-7-21-8-5-17/h6,9-12,17,21H,4-5,7-8H2,1-3H3,(H,22,23,24)
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n/an/a 2.40E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of BRD3 C-terminal bromodomain 2 (unknown origin) expressed in Escherichia coli Bl21(DE3) by alpha-screen assay


J Med Chem 61: 9316-9334 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01248
BindingDB Entry DOI: 10.7270/Q25T3PRQ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50099347
PNG
(2-(3,4-Dimethyl-phenoxy)-4-[5-(4-fluoro-phenyl)-3-...)
Show SMILES Cc1ccc(Oc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(F)cc2)cc1C
Show InChI InChI=1S/C26H26FN5O/c1-17-3-8-22(15-18(17)2)33-26-29-14-11-23(31-26)25-24(19-4-6-20(27)7-5-19)30-16-32(25)21-9-12-28-13-10-21/h3-8,11,14-16,21,28H,9-10,12-13H2,1-2H3
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n/an/a 2.90E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of BRD4 bromodomain 1 (unknown origin) expressed in Escherichia coli Bl21(DE3) by fluorescence anisotropy


J Med Chem 61: 9316-9334 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01248
BindingDB Entry DOI: 10.7270/Q25T3PRQ
More data for this
Ligand-Target Pair
Bromodomain testis-specific protein


(Homo sapiens (Human))
BDBM50503388
PNG
(CHEMBL4521096)
Show SMILES Cc1cc(C)cc(Nc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(F)cc2)c1
Show InChI InChI=1S/C26H27FN6/c1-17-13-18(2)15-21(14-17)31-26-29-12-9-23(32-26)25-24(19-3-5-20(27)6-4-19)30-16-33(25)22-7-10-28-11-8-22/h3-6,9,12-16,22,28H,7-8,10-11H2,1-2H3,(H,29,31,32)
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n/an/a 3.50E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human BRDT bromodomain 1 (unknown origin) expressed in Escherichia coli Bl21(DE3) by fluorescence anisotropy


J Med Chem 61: 9316-9334 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01248
BindingDB Entry DOI: 10.7270/Q25T3PRQ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50099333
PNG
(2-(3,5-Dimethyl-phenoxy)-4-[5-(4-fluoro-phenyl)-3-...)
Show SMILES Cc1cc(C)cc(Oc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(F)cc2)c1
Show InChI InChI=1S/C26H26FN5O/c1-17-13-18(2)15-22(14-17)33-26-29-12-9-23(31-26)25-24(19-3-5-20(27)6-4-19)30-16-32(25)21-7-10-28-11-8-21/h3-6,9,12-16,21,28H,7-8,10-11H2,1-2H3
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n/an/a 3.70E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of BRD4 bromodomain 1 (unknown origin) expressed in Escherichia coli Bl21(DE3) by fluorescence anisotropy


J Med Chem 61: 9316-9334 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01248
BindingDB Entry DOI: 10.7270/Q25T3PRQ
More data for this
Ligand-Target Pair
Bromodomain testis-specific protein


(Homo sapiens (Human))
BDBM50503389
PNG
(CHEMBL4452281)
Show SMILES Cc1ccc(Nc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(F)cc2)cc1C
Show InChI InChI=1S/C26H27FN6/c1-17-3-8-21(15-18(17)2)31-26-29-14-11-23(32-26)25-24(19-4-6-20(27)7-5-19)30-16-33(25)22-9-12-28-13-10-22/h3-8,11,14-16,22,28H,9-10,12-13H2,1-2H3,(H,29,31,32)
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n/an/a 4.70E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human BRDT bromodomain 1 (unknown origin) expressed in Escherichia coli Bl21(DE3) by fluorescence anisotropy


J Med Chem 61: 9316-9334 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01248
BindingDB Entry DOI: 10.7270/Q25T3PRQ
More data for this
Ligand-Target Pair
Bromodomain testis-specific protein


(Homo sapiens (Human))
BDBM50503388
PNG
(CHEMBL4521096)
Show SMILES Cc1cc(C)cc(Nc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(F)cc2)c1
Show InChI InChI=1S/C26H27FN6/c1-17-13-18(2)15-21(14-17)31-26-29-12-9-23(32-26)25-24(19-3-5-20(27)6-4-19)30-16-33(25)22-7-10-28-11-8-22/h3-6,9,12-16,22,28H,7-8,10-11H2,1-2H3,(H,29,31,32)
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n/an/a 5.30E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of BRDT N-terminal bromodomain 1 (unknown origin) expressed in Escherichia coli Bl21(DE3) by alpha-screen assay


J Med Chem 61: 9316-9334 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01248
BindingDB Entry DOI: 10.7270/Q25T3PRQ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50503388
PNG
(CHEMBL4521096)
Show SMILES Cc1cc(C)cc(Nc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(F)cc2)c1
Show InChI InChI=1S/C26H27FN6/c1-17-13-18(2)15-21(14-17)31-26-29-12-9-23(32-26)25-24(19-3-5-20(27)6-4-19)30-16-33(25)22-7-10-28-11-8-22/h3-6,9,12-16,22,28H,7-8,10-11H2,1-2H3,(H,29,31,32)
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n/an/a 1.12E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of BRD3 N-terminal bromodomain 1 (unknown origin) expressed in Escherichia coli Bl21(DE3) by alpha-screen assay


J Med Chem 61: 9316-9334 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01248
BindingDB Entry DOI: 10.7270/Q25T3PRQ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50503386
PNG
(CHEMBL4441390)
Show SMILES Cc1nnn(C2CCNCC2)c1-c1ccnc(Nc2cc(C)cc(C)c2)n1
Show InChI InChI=1S/C20H25N7/c1-13-10-14(2)12-16(11-13)23-20-22-9-6-18(24-20)19-15(3)25-26-27(19)17-4-7-21-8-5-17/h6,9-12,17,21H,4-5,7-8H2,1-3H3,(H,22,23,24)
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n/an/a 1.20E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of BRD2 C-terminal bromodomain 2 (unknown origin) expressed in Escherichia coli Bl21(DE3) by alpha-screen assay


J Med Chem 61: 9316-9334 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01248
BindingDB Entry DOI: 10.7270/Q25T3PRQ
More data for this
Ligand-Target Pair
Bromodomain testis-specific protein


(Homo sapiens (Human))
BDBM50099347
PNG
(2-(3,4-Dimethyl-phenoxy)-4-[5-(4-fluoro-phenyl)-3-...)
Show SMILES Cc1ccc(Oc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(F)cc2)cc1C
Show InChI InChI=1S/C26H26FN5O/c1-17-3-8-22(15-18(17)2)33-26-29-14-11-23(31-26)25-24(19-4-6-20(27)7-5-19)30-16-32(25)21-9-12-28-13-10-21/h3-8,11,14-16,21,28H,9-10,12-13H2,1-2H3
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n/an/a 1.30E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human BRDT bromodomain 1 (unknown origin) expressed in Escherichia coli Bl21(DE3) by fluorescence anisotropy


J Med Chem 61: 9316-9334 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01248
BindingDB Entry DOI: 10.7270/Q25T3PRQ
More data for this
Ligand-Target Pair
Bromodomain testis-specific protein


(Homo sapiens (Human))
BDBM50099333
PNG
(2-(3,5-Dimethyl-phenoxy)-4-[5-(4-fluoro-phenyl)-3-...)
Show SMILES Cc1cc(C)cc(Oc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(F)cc2)c1
Show InChI InChI=1S/C26H26FN5O/c1-17-13-18(2)15-22(14-17)33-26-29-12-9-23(31-26)25-24(19-3-5-20(27)6-4-19)30-16-32(25)21-7-10-28-11-8-21/h3-6,9,12-16,21,28H,7-8,10-11H2,1-2H3
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n/an/a 1.80E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human BRDT bromodomain 1 (unknown origin) expressed in Escherichia coli Bl21(DE3) by fluorescence anisotropy


J Med Chem 61: 9316-9334 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01248
BindingDB Entry DOI: 10.7270/Q25T3PRQ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50099352
PNG
(4-[5-(4-Fluoro-phenyl)-3-piperidin-4-yl-3H-imidazo...)
Show SMILES Cc1ccc(Oc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(F)cc2)cc1
Show InChI InChI=1S/C25H24FN5O/c1-17-2-8-21(9-3-17)32-25-28-15-12-22(30-25)24-23(18-4-6-19(26)7-5-18)29-16-31(24)20-10-13-27-14-11-20/h2-9,12,15-16,20,27H,10-11,13-14H2,1H3
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n/an/a 2.40E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of BRD4 bromodomain 1 (unknown origin) expressed in Escherichia coli Bl21(DE3) by fluorescence anisotropy


J Med Chem 61: 9316-9334 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01248
BindingDB Entry DOI: 10.7270/Q25T3PRQ
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



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human 6x-His-tagged BRD2 bromodomain 1 expressed in Escherichia coli


J Med Chem 61: 9316-9334 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01248
BindingDB Entry DOI: 10.7270/Q25T3PRQ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50503387
PNG
(CHEMBL4475135)
Show SMILES Cc1cc(C)cc(Nc2nccc(n2)-c2c(nnn2C2CCNCC2)-c2ccc(F)cc2)c1
Show InChI InChI=1S/C25H26FN7/c1-16-13-17(2)15-20(14-16)29-25-28-12-9-22(30-25)24-23(18-3-5-19(26)6-4-18)31-32-33(24)21-7-10-27-11-8-21/h3-6,9,12-15,21,27H,7-8,10-11H2,1-2H3,(H,28,29,30)
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n/an/a 2.70E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of BRD4 N-terminal bromodomain 1 (unknown origin) expressed in Escherichia coli Bl21(DE3) by alpha-screen assay


J Med Chem 61: 9316-9334 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01248
BindingDB Entry DOI: 10.7270/Q25T3PRQ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50503388
PNG
(CHEMBL4521096)
Show SMILES Cc1cc(C)cc(Nc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(F)cc2)c1
Show InChI InChI=1S/C26H27FN6/c1-17-13-18(2)15-21(14-17)31-26-29-12-9-23(32-26)25-24(19-3-5-20(27)6-4-19)30-16-33(25)22-7-10-28-11-8-22/h3-6,9,12-16,22,28H,7-8,10-11H2,1-2H3,(H,29,31,32)
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n/an/a 2.90E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of BRD2 N-terminal bromodomain 1 (unknown origin) expressed in Escherichia coli Bl21(DE3) by alpha-screen assay


J Med Chem 61: 9316-9334 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01248
BindingDB Entry DOI: 10.7270/Q25T3PRQ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50503387
PNG
(CHEMBL4475135)
Show SMILES Cc1cc(C)cc(Nc2nccc(n2)-c2c(nnn2C2CCNCC2)-c2ccc(F)cc2)c1
Show InChI InChI=1S/C25H26FN7/c1-16-13-17(2)15-20(14-16)29-25-28-12-9-22(30-25)24-23(18-3-5-19(26)6-4-18)31-32-33(24)21-7-10-27-11-8-21/h3-6,9,12-15,21,27H,7-8,10-11H2,1-2H3,(H,28,29,30)
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n/an/a 3.00E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of BRD2 C-terminal bromodomain 2 (unknown origin) expressed in Escherichia coli Bl21(DE3) by alpha-screen assay


J Med Chem 61: 9316-9334 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01248
BindingDB Entry DOI: 10.7270/Q25T3PRQ
More data for this
Ligand-Target Pair
Bromodomain testis-specific protein


(Homo sapiens (Human))
BDBM50503387
PNG
(CHEMBL4475135)
Show SMILES Cc1cc(C)cc(Nc2nccc(n2)-c2c(nnn2C2CCNCC2)-c2ccc(F)cc2)c1
Show InChI InChI=1S/C25H26FN7/c1-16-13-17(2)15-20(14-16)29-25-28-12-9-22(30-25)24-23(18-3-5-19(26)6-4-18)31-32-33(24)21-7-10-27-11-8-21/h3-6,9,12-15,21,27H,7-8,10-11H2,1-2H3,(H,28,29,30)
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n/an/a 3.60E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of BRDT N-terminal bromodomain 1 (unknown origin) expressed in Escherichia coli Bl21(DE3) by alpha-screen assay


J Med Chem 61: 9316-9334 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01248
BindingDB Entry DOI: 10.7270/Q25T3PRQ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50503387
PNG
(CHEMBL4475135)
Show SMILES Cc1cc(C)cc(Nc2nccc(n2)-c2c(nnn2C2CCNCC2)-c2ccc(F)cc2)c1
Show InChI InChI=1S/C25H26FN7/c1-16-13-17(2)15-20(14-16)29-25-28-12-9-22(30-25)24-23(18-3-5-19(26)6-4-18)31-32-33(24)21-7-10-27-11-8-21/h3-6,9,12-15,21,27H,7-8,10-11H2,1-2H3,(H,28,29,30)
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n/an/a 4.30E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of BRD2 N-terminal bromodomain 1 (unknown origin) expressed in Escherichia coli Bl21(DE3) by alpha-screen assay


J Med Chem 61: 9316-9334 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01248
BindingDB Entry DOI: 10.7270/Q25T3PRQ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50503387
PNG
(CHEMBL4475135)
Show SMILES Cc1cc(C)cc(Nc2nccc(n2)-c2c(nnn2C2CCNCC2)-c2ccc(F)cc2)c1
Show InChI InChI=1S/C25H26FN7/c1-16-13-17(2)15-20(14-16)29-25-28-12-9-22(30-25)24-23(18-3-5-19(26)6-4-18)31-32-33(24)21-7-10-27-11-8-21/h3-6,9,12-15,21,27H,7-8,10-11H2,1-2H3,(H,28,29,30)
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n/an/a 5.10E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of BRD3 N-terminal bromodomain 1 (unknown origin) expressed in Escherichia coli Bl21(DE3) by alpha-screen assay


J Med Chem 61: 9316-9334 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01248
BindingDB Entry DOI: 10.7270/Q25T3PRQ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50503388
PNG
(CHEMBL4521096)
Show SMILES Cc1cc(C)cc(Nc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(F)cc2)c1
Show InChI InChI=1S/C26H27FN6/c1-17-13-18(2)15-21(14-17)31-26-29-12-9-23(32-26)25-24(19-3-5-20(27)6-4-19)30-16-33(25)22-7-10-28-11-8-22/h3-6,9,12-16,22,28H,7-8,10-11H2,1-2H3,(H,29,31,32)
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n/an/a 6.70E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of BRD2 C-terminal bromodomain 2 (unknown origin) expressed in Escherichia coli Bl21(DE3) by alpha-screen assay


J Med Chem 61: 9316-9334 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01248
BindingDB Entry DOI: 10.7270/Q25T3PRQ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50503387
PNG
(CHEMBL4475135)
Show SMILES Cc1cc(C)cc(Nc2nccc(n2)-c2c(nnn2C2CCNCC2)-c2ccc(F)cc2)c1
Show InChI InChI=1S/C25H26FN7/c1-16-13-17(2)15-20(14-16)29-25-28-12-9-22(30-25)24-23(18-3-5-19(26)6-4-18)31-32-33(24)21-7-10-27-11-8-21/h3-6,9,12-15,21,27H,7-8,10-11H2,1-2H3,(H,28,29,30)
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n/an/a 7.50E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of BRD4 C-terminal bromodomain 2 (unknown origin) expressed in Escherichia coli Bl21(DE3) by alpha-screen assay


J Med Chem 61: 9316-9334 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01248
BindingDB Entry DOI: 10.7270/Q25T3PRQ
More data for this
Ligand-Target Pair
Bromodomain testis-specific protein


(Homo sapiens (Human))
BDBM50099352
PNG
(4-[5-(4-Fluoro-phenyl)-3-piperidin-4-yl-3H-imidazo...)
Show SMILES Cc1ccc(Oc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(F)cc2)cc1
Show InChI InChI=1S/C25H24FN5O/c1-17-2-8-21(9-3-17)32-25-28-15-12-22(30-25)24-23(18-4-6-19(26)7-5-18)29-16-31(24)20-10-13-27-14-11-20/h2-9,12,15-16,20,27H,10-11,13-14H2,1H3
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n/an/a 8.80E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human BRDT bromodomain 1 (unknown origin) expressed in Escherichia coli Bl21(DE3) by fluorescence anisotropy


J Med Chem 61: 9316-9334 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01248
BindingDB Entry DOI: 10.7270/Q25T3PRQ
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



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human 6x-His-tagged BRD3 bromodomain 2 expressed in Escherichia coli


J Med Chem 61: 9316-9334 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01248
BindingDB Entry DOI: 10.7270/Q25T3PRQ
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



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human 6x-His-tagged BRD3 bromodomain 1 expressed in Escherichia coli


J Med Chem 61: 9316-9334 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01248
BindingDB Entry DOI: 10.7270/Q25T3PRQ
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



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human 6x-His-tagged BRD2 bromodomain 2 expressed in Escherichia coli


J Med Chem 61: 9316-9334 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01248
BindingDB Entry DOI: 10.7270/Q25T3PRQ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50503388
PNG
(CHEMBL4521096)
Show SMILES Cc1cc(C)cc(Nc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(F)cc2)c1
Show InChI InChI=1S/C26H27FN6/c1-17-13-18(2)15-21(14-17)31-26-29-12-9-23(32-26)25-24(19-3-5-20(27)6-4-19)30-16-33(25)22-7-10-28-11-8-22/h3-6,9,12-16,22,28H,7-8,10-11H2,1-2H3,(H,29,31,32)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of BRD3 C-terminal bromodomain 2 (unknown origin) expressed in Escherichia coli Bl21(DE3) by alpha-screen assay


J Med Chem 61: 9316-9334 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01248
BindingDB Entry DOI: 10.7270/Q25T3PRQ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50503388
PNG
(CHEMBL4521096)
Show SMILES Cc1cc(C)cc(Nc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(F)cc2)c1
Show InChI InChI=1S/C26H27FN6/c1-17-13-18(2)15-21(14-17)31-26-29-12-9-23(32-26)25-24(19-3-5-20(27)6-4-19)30-16-33(25)22-7-10-28-11-8-22/h3-6,9,12-16,22,28H,7-8,10-11H2,1-2H3,(H,29,31,32)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of BRD4 C-terminal bromodomain 2 (unknown origin) expressed in Escherichia coli Bl21(DE3) by alpha-screen assay


J Med Chem 61: 9316-9334 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01248
BindingDB Entry DOI: 10.7270/Q25T3PRQ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50503390
PNG
(CHEMBL4533090)
Show SMILES Cc1cc(C)cc(Nc2nccc(n2)-c2c(CO)nnn2C2CCNCC2)c1
Show InChI InChI=1S/C20H25N7O/c1-13-9-14(2)11-15(10-13)23-20-22-8-5-17(24-20)19-18(12-28)25-26-27(19)16-3-6-21-7-4-16/h5,8-11,16,21,28H,3-4,6-7,12H2,1-2H3,(H,22,23,24)
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n/an/a 1.02E+5n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of BRD4 C-terminal bromodomain 2 (unknown origin) expressed in Escherichia coli Bl21(DE3) by alpha-screen assay


J Med Chem 61: 9316-9334 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01248
BindingDB Entry DOI: 10.7270/Q25T3PRQ
More data for this
Ligand-Target Pair
Bromodomain testis-specific protein


(Homo sapiens (Human))
BDBM50503390
PNG
(CHEMBL4533090)
Show SMILES Cc1cc(C)cc(Nc2nccc(n2)-c2c(CO)nnn2C2CCNCC2)c1
Show InChI InChI=1S/C20H25N7O/c1-13-9-14(2)11-15(10-13)23-20-22-8-5-17(24-20)19-18(12-28)25-26-27(19)16-3-6-21-7-4-16/h5,8-11,16,21,28H,3-4,6-7,12H2,1-2H3,(H,22,23,24)
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n/an/a 1.10E+5n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of BRDT N-terminal bromodomain 1 (unknown origin) expressed in Escherichia coli Bl21(DE3) by alpha-screen assay


J Med Chem 61: 9316-9334 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01248
BindingDB Entry DOI: 10.7270/Q25T3PRQ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50503387
PNG
(CHEMBL4475135)
Show SMILES Cc1cc(C)cc(Nc2nccc(n2)-c2c(nnn2C2CCNCC2)-c2ccc(F)cc2)c1
Show InChI InChI=1S/C25H26FN7/c1-16-13-17(2)15-20(14-16)29-25-28-12-9-22(30-25)24-23(18-3-5-19(26)6-4-18)31-32-33(24)21-7-10-27-11-8-21/h3-6,9,12-15,21,27H,7-8,10-11H2,1-2H3,(H,28,29,30)
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n/an/a 1.10E+5n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of BRD3 C-terminal bromodomain 2 (unknown origin) expressed in Escherichia coli Bl21(DE3) by alpha-screen assay


J Med Chem 61: 9316-9334 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01248
BindingDB Entry DOI: 10.7270/Q25T3PRQ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50503390
PNG
(CHEMBL4533090)
Show SMILES Cc1cc(C)cc(Nc2nccc(n2)-c2c(CO)nnn2C2CCNCC2)c1
Show InChI InChI=1S/C20H25N7O/c1-13-9-14(2)11-15(10-13)23-20-22-8-5-17(24-20)19-18(12-28)25-26-27(19)16-3-6-21-7-4-16/h5,8-11,16,21,28H,3-4,6-7,12H2,1-2H3,(H,22,23,24)
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n/an/a 1.60E+5n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of BRD4 N-terminal bromodomain 1 (unknown origin) expressed in Escherichia coli Bl21(DE3) by alpha-screen assay


J Med Chem 61: 9316-9334 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01248
BindingDB Entry DOI: 10.7270/Q25T3PRQ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50503390
PNG
(CHEMBL4533090)
Show SMILES Cc1cc(C)cc(Nc2nccc(n2)-c2c(CO)nnn2C2CCNCC2)c1
Show InChI InChI=1S/C20H25N7O/c1-13-9-14(2)11-15(10-13)23-20-22-8-5-17(24-20)19-18(12-28)25-26-27(19)16-3-6-21-7-4-16/h5,8-11,16,21,28H,3-4,6-7,12H2,1-2H3,(H,22,23,24)
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n/an/a 2.00E+5n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of BRD3 N-terminal bromodomain 1 (unknown origin) expressed in Escherichia coli Bl21(DE3) by alpha-screen assay


J Med Chem 61: 9316-9334 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01248
BindingDB Entry DOI: 10.7270/Q25T3PRQ
More data for this
Ligand-Target Pair
Bromodomain testis-specific protein


(Homo sapiens (Human))
BDBM50099339
PNG
(2-(3,5-Difluoro-phenoxy)-4-[5-(4-fluoro-phenyl)-3-...)
Show SMILES Fc1ccc(cc1)-c1ncn(C2CCNCC2)c1-c1ccnc(Oc2cc(F)cc(F)c2)n1
Show InChI InChI=1S/C24H20F3N5O/c25-16-3-1-15(2-4-16)22-23(32(14-30-22)19-5-8-28-9-6-19)21-7-10-29-24(31-21)33-20-12-17(26)11-18(27)13-20/h1-4,7,10-14,19,28H,5-6,8-9H2
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n/an/a>2.50E+5n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human BRDT bromodomain 2 (unknown origin) expressed in Escherichia coli Bl21(DE3) by fluorescence anisotropy


J Med Chem 61: 9316-9334 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01248
BindingDB Entry DOI: 10.7270/Q25T3PRQ
More data for this
Ligand-Target Pair
Bromodomain testis-specific protein


(Homo sapiens (Human))
BDBM50099333
PNG
(2-(3,5-Dimethyl-phenoxy)-4-[5-(4-fluoro-phenyl)-3-...)
Show SMILES Cc1cc(C)cc(Oc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(F)cc2)c1
Show InChI InChI=1S/C26H26FN5O/c1-17-13-18(2)15-22(14-17)33-26-29-12-9-23(31-26)25-24(19-3-5-20(27)6-4-19)30-16-32(25)21-7-10-28-11-8-21/h3-6,9,12-16,21,28H,7-8,10-11H2,1-2H3
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n/an/a>2.50E+5n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human BRDT bromodomain 2 (unknown origin) expressed in Escherichia coli Bl21(DE3) by fluorescence anisotropy


J Med Chem 61: 9316-9334 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01248
BindingDB Entry DOI: 10.7270/Q25T3PRQ
More data for this
Ligand-Target Pair
Bromodomain testis-specific protein


(Homo sapiens (Human))
BDBM50099352
PNG
(4-[5-(4-Fluoro-phenyl)-3-piperidin-4-yl-3H-imidazo...)
Show SMILES Cc1ccc(Oc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(F)cc2)cc1
Show InChI InChI=1S/C25H24FN5O/c1-17-2-8-21(9-3-17)32-25-28-15-12-22(30-25)24-23(18-4-6-19(26)7-5-18)29-16-31(24)20-10-13-27-14-11-20/h2-9,12,15-16,20,27H,10-11,13-14H2,1H3
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n/an/a>2.50E+5n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human BRDT bromodomain 2 (unknown origin) expressed in Escherichia coli Bl21(DE3) by fluorescence anisotropy


J Med Chem 61: 9316-9334 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01248
BindingDB Entry DOI: 10.7270/Q25T3PRQ
More data for this
Ligand-Target Pair
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