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PubMed code 24090311

Compile data set for download or QSAR
Found 12 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50441757
PNG
(CHEMBL2436011)
Show SMILES Cn1cc(-c2ccc(F)cc2)c2nc[nH]c(=O)c12
Show InChI InChI=1S/C13H10FN3O/c1-17-6-10(8-2-4-9(14)5-3-8)11-12(17)13(18)16-7-15-11/h2-7H,1H3,(H,15,16,18)
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n/an/a 1.60E+4n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of His-tagged first bromodomain of BRD4 (unknown origin) using H-SGRGK(Ac)GGK(Ac)GLGK-(Ac)GGAK(Ac)RHRK(Biotin)-OH as substrate preincubate...


J Med Chem 56: 8073-88 (2013)


Article DOI: 10.1021/jm4011302
BindingDB Entry DOI: 10.7270/Q20C4X6S
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50441763
PNG
(CHEMBL2436005)
Show SMILES CN(Cc1ccc(Cl)s1)c1cc(C)nc2ncnn12
Show InChI InChI=1S/C12H12ClN5S/c1-8-5-11(18-12(16-8)14-7-15-18)17(2)6-9-3-4-10(13)19-9/h3-5,7H,6H2,1-2H3
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n/an/a 2.40E+4n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of His-tagged first bromodomain of BRD4 (unknown origin) using H-SGRGK(Ac)GGK(Ac)GLGK-(Ac)GGAK(Ac)RHRK(Biotin)-OH as substrate preincubate...


J Med Chem 56: 8073-88 (2013)


Article DOI: 10.1021/jm4011302
BindingDB Entry DOI: 10.7270/Q20C4X6S
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50441760
PNG
(CHEMBL2436008)
Show SMILES CN(Cc1ccc(Cl)s1)c1cc(C)nc2nc(N)nn12
Show InChI InChI=1S/C12H13ClN6S/c1-7-5-10(19-12(15-7)16-11(14)17-19)18(2)6-8-3-4-9(13)20-8/h3-5H,6H2,1-2H3,(H2,14,17)
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n/an/a 2.80E+4n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of His-tagged first bromodomain of BRD4 (unknown origin) using H-SGRGK(Ac)GGK(Ac)GLGK-(Ac)GGAK(Ac)RHRK(Biotin)-OH as substrate preincubate...


J Med Chem 56: 8073-88 (2013)


Article DOI: 10.1021/jm4011302
BindingDB Entry DOI: 10.7270/Q20C4X6S
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50365462
PNG
(CHEMBL1738777)
Show SMILES Cn1c2ccccc2n(CCSc2nc3ccccc3[nH]2)c1=S
Show InChI InChI=1S/C17H16N4S2/c1-20-14-8-4-5-9-15(14)21(17(20)22)10-11-23-16-18-12-6-2-3-7-13(12)19-16/h2-9H,10-11H2,1H3,(H,18,19)
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n/an/a 2.80E+4n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of first bromodomain of BRD2 (unknown origin)


J Med Chem 56: 8073-88 (2013)


Article DOI: 10.1021/jm4011302
BindingDB Entry DOI: 10.7270/Q20C4X6S
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50441758
PNG
(CHEMBL2436010)
Show SMILES Cc1ccc(cc1)-c1cn(C)c2c1nc[nH]c2=O
Show InChI InChI=1S/C14H13N3O/c1-9-3-5-10(6-4-9)11-7-17(2)13-12(11)15-8-16-14(13)18/h3-8H,1-2H3,(H,15,16,18)
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n/an/a 3.10E+4n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of His-tagged first bromodomain of BRD4 (unknown origin) using H-SGRGK(Ac)GGK(Ac)GLGK-(Ac)GGAK(Ac)RHRK(Biotin)-OH as substrate preincubate...


J Med Chem 56: 8073-88 (2013)


Article DOI: 10.1021/jm4011302
BindingDB Entry DOI: 10.7270/Q20C4X6S
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50441759
PNG
(CHEMBL2436009)
Show SMILES CC(=O)Nc1cccc(c1)-c1cc(C)[n+]([O-])c2ccccc12
Show InChI InChI=1S/C18H16N2O2/c1-12-10-17(16-8-3-4-9-18(16)20(12)22)14-6-5-7-15(11-14)19-13(2)21/h3-11H,1-2H3,(H,19,21)
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n/an/a 4.20E+4n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of His-tagged first bromodomain of BRD4 (unknown origin) using H-SGRGK(Ac)GGK(Ac)GLGK-(Ac)GGAK(Ac)RHRK(Biotin)-OH as substrate preincubate...


J Med Chem 56: 8073-88 (2013)


Article DOI: 10.1021/jm4011302
BindingDB Entry DOI: 10.7270/Q20C4X6S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50441762
PNG
(CHEMBL2436006)
Show SMILES CN(Cc1ccc(C)cc1)c1cc(C)nc2nc(N)nn12
Show InChI InChI=1S/C15H18N6/c1-10-4-6-12(7-5-10)9-20(3)13-8-11(2)17-15-18-14(16)19-21(13)15/h4-8H,9H2,1-3H3,(H2,16,19)
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n/an/a 6.60E+4n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of His-tagged first bromodomain of BRD4 (unknown origin) using H-SGRGK(Ac)GGK(Ac)GLGK-(Ac)GGAK(Ac)RHRK(Biotin)-OH as substrate preincubate...


J Med Chem 56: 8073-88 (2013)


Article DOI: 10.1021/jm4011302
BindingDB Entry DOI: 10.7270/Q20C4X6S
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50441761
PNG
(CHEMBL2436007)
Show SMILES Cc1ccc(CNc2cc(C)nc3nc(N)nn23)cc1
Show InChI InChI=1S/C14H16N6/c1-9-3-5-11(6-4-9)8-16-12-7-10(2)17-14-18-13(15)19-20(12)14/h3-7,16H,8H2,1-2H3,(H2,15,19)
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n/an/a 7.40E+4n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of His-tagged first bromodomain of BRD4 (unknown origin) using H-SGRGK(Ac)GGK(Ac)GLGK-(Ac)GGAK(Ac)RHRK(Biotin)-OH as substrate preincubate...


J Med Chem 56: 8073-88 (2013)


Article DOI: 10.1021/jm4011302
BindingDB Entry DOI: 10.7270/Q20C4X6S
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50441764
PNG
(CHEMBL2436003)
Show SMILES CC(C)Cc1nc(-c2c[nH]c(=O)c(Cl)c2)n(n1)-c1cccc2OCCOc12
Show InChI InChI=1S/C19H19ClN4O3/c1-11(2)8-16-22-18(12-9-13(20)19(25)21-10-12)24(23-16)14-4-3-5-15-17(14)27-7-6-26-15/h3-5,9-11H,6-8H2,1-2H3,(H,21,25)
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n/an/a 7.70E+4n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of His-tagged first bromodomain of BRD4 (unknown origin) using H-SGRGK(Ac)GGK(Ac)GLGK-(Ac)GGAK(Ac)RHRK(Biotin)-OH as substrate preincubate...


J Med Chem 56: 8073-88 (2013)


Article DOI: 10.1021/jm4011302
BindingDB Entry DOI: 10.7270/Q20C4X6S
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50441765
PNG
(CHEMBL2436014)
Show SMILES Cc1noc(N)c1-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C11H9F3N2O/c1-6-9(10(15)17-16-6)7-3-2-4-8(5-7)11(12,13)14/h2-5H,15H2,1H3
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n/an/a 8.09E+4n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of His-tagged first bromodomain of BRD4 (unknown origin) using H-SGRGK(Ac)GGK(Ac)GLGK-(Ac)GGAK(Ac)RHRK(Biotin)-OH as substrate preincubate...


J Med Chem 56: 8073-88 (2013)


Article DOI: 10.1021/jm4011302
BindingDB Entry DOI: 10.7270/Q20C4X6S
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50399434
PNG
(CHEMBL2179387)
Show SMILES COc1ccccc1S(=O)(=O)Nc1ccc2NC(=O)N(C)Cc2c1
Show InChI InChI=1S/C16H17N3O4S/c1-19-10-11-9-12(7-8-13(11)17-16(19)20)18-24(21,22)15-6-4-3-5-14(15)23-2/h3-9,18H,10H2,1-2H3,(H,17,20)
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n/an/an/a 136n/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Binding affinity to first bromodomain of BRD4 (unknown origin)


J Med Chem 56: 8073-88 (2013)


Article DOI: 10.1021/jm4011302
BindingDB Entry DOI: 10.7270/Q20C4X6S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50441766
PNG
(CHEMBL2436012)
Show SMILES COc1cc2c3[nH]c(=O)n([C@H](C)c4ccccn4)c3cnc2cc1-c1c(C)noc1C |r,wU:10.10,(2.08,-8.22,;3.12,-7.08,;4.62,-7.41,;5.09,-8.88,;6.6,-9.21,;7.07,-10.67,;6.3,-12,;7.33,-13.15,;7.01,-14.65,;8.73,-12.52,;10.07,-13.29,;10.06,-14.83,;11.4,-12.52,;11.4,-10.98,;12.73,-10.21,;14.06,-10.97,;14.07,-12.52,;12.73,-13.29,;8.58,-11,;9.61,-9.86,;9.15,-8.39,;7.65,-8.06,;7.18,-6.59,;5.67,-6.25,;5.21,-4.78,;3.74,-4.29,;2.48,-5.18,;3.75,-2.77,;5.21,-2.29,;6.12,-3.55,;7.66,-3.56,)|
Show InChI InChI=1S/C23H21N5O3/c1-12-21(14(3)31-27-12)16-9-18-15(10-20(16)30-4)22-19(11-25-18)28(23(29)26-22)13(2)17-7-5-6-8-24-17/h5-11,13H,1-4H3,(H,26,29)/t13-/m1/s1
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n/an/an/a 100n/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Binding affinity to first bromodomain of BRD4 (unknown origin)


J Med Chem 56: 8073-88 (2013)


Article DOI: 10.1021/jm4011302
BindingDB Entry DOI: 10.7270/Q20C4X6S
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%