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Compile Data Set for Download or QSAR

Found 44 hits from Dana-Farber Institute   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50030895
PNG
(CHEMBL3356570)
Show SMILES COc1cc(ccc1-c1nc2cnccn2c1NC(C)C)-c1c(C)noc1C
Show InChI InChI=1S/C21H23N5O2/c1-12(2)23-21-20(24-18-11-22-8-9-26(18)21)16-7-6-15(10-17(16)27-5)19-13(3)25-28-14(19)4/h6-12,23H,1-5H3
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n/an/a 474n/an/an/an/an/an/a



Dana-Farber Institute

Curated by ChEMBL


Assay Description
Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay


J Med Chem 57: 9019-27 (2014)


Article DOI: 10.1021/jm501120z
BindingDB Entry DOI: 10.7270/Q2FN17T7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50030910
PNG
(CHEMBL3356556)
Show SMILES Cc1noc(C)c1-c1ccc(cc1)-c1nc2ccccn2c1NC(C)(C)C
Show InChI InChI=1S/C22H24N4O/c1-14-19(15(2)27-25-14)16-9-11-17(12-10-16)20-21(24-22(3,4)5)26-13-7-6-8-18(26)23-20/h6-13,24H,1-5H3
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n/an/a 479n/an/an/an/an/an/a



Dana-Farber Institute

Curated by ChEMBL


Assay Description
Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay


J Med Chem 57: 9019-27 (2014)


Article DOI: 10.1021/jm501120z
BindingDB Entry DOI: 10.7270/Q2FN17T7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50030896
PNG
(CHEMBL3356569)
Show SMILES COc1cc(ccc1-c1nc2cnccn2c1NC(C)(C)C)-c1c(C)noc1C
Show InChI InChI=1S/C22H25N5O2/c1-13-19(14(2)29-26-13)15-7-8-16(17(11-15)28-6)20-21(25-22(3,4)5)27-10-9-23-12-18(27)24-20/h7-12,25H,1-6H3
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n/an/a 562n/an/an/an/an/an/a



Dana-Farber Institute

Curated by ChEMBL


Assay Description
Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay


J Med Chem 57: 9019-27 (2014)


Article DOI: 10.1021/jm501120z
BindingDB Entry DOI: 10.7270/Q2FN17T7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50030894
PNG
(CHEMBL3356559)
Show SMILES Cc1noc(C)c1-c1ccc(cc1)-c1nc2cnccn2c1NC(C)(C)C
Show InChI InChI=1S/C21H23N5O/c1-13-18(14(2)27-25-13)15-6-8-16(9-7-15)19-20(24-21(3,4)5)26-11-10-22-12-17(26)23-19/h6-12,24H,1-5H3
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n/an/a 637n/an/an/an/an/an/a



Dana-Farber Institute

Curated by ChEMBL


Assay Description
Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay


J Med Chem 57: 9019-27 (2014)


Article DOI: 10.1021/jm501120z
BindingDB Entry DOI: 10.7270/Q2FN17T7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50030901
PNG
(CHEMBL3356564)
Show SMILES CC(C)Nc1c(nc2cnccn12)-c1ccc(cc1)-c1c(C)noc1C
Show InChI InChI=1S/C20H21N5O/c1-12(2)22-20-19(23-17-11-21-9-10-25(17)20)16-7-5-15(6-8-16)18-13(3)24-26-14(18)4/h5-12,22H,1-4H3
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n/an/a 807n/an/an/an/an/an/a



Dana-Farber Institute

Curated by ChEMBL


Assay Description
Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay


J Med Chem 57: 9019-27 (2014)


Article DOI: 10.1021/jm501120z
BindingDB Entry DOI: 10.7270/Q2FN17T7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50030908
PNG
(CHEMBL3356558)
Show SMILES Cc1noc(C)c1-c1ccc(cc1)-c1nc2ncccn2c1NC(C)(C)C
Show InChI InChI=1S/C21H23N5O/c1-13-17(14(2)27-25-13)15-7-9-16(10-8-15)18-19(24-21(3,4)5)26-12-6-11-22-20(26)23-18/h6-12,24H,1-5H3
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n/an/a 860n/an/an/an/an/an/a



Dana-Farber Institute

Curated by ChEMBL


Assay Description
Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay


J Med Chem 57: 9019-27 (2014)


Article DOI: 10.1021/jm501120z
BindingDB Entry DOI: 10.7270/Q2FN17T7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50030920
PNG
(CHEMBL3356547)
Show SMILES Cc1noc(C)c1-c1ccc(cc1)-c1nc2ccccn2c1NC1CCCCC1
Show InChI InChI=1S/C24H26N4O/c1-16-22(17(2)29-27-16)18-11-13-19(14-12-18)23-24(25-20-8-4-3-5-9-20)28-15-7-6-10-21(28)26-23/h6-7,10-15,20,25H,3-5,8-9H2,1-2H3
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n/an/a 904n/an/an/an/an/an/a



Dana-Farber Institute

Curated by ChEMBL


Assay Description
Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay


J Med Chem 57: 9019-27 (2014)


Article DOI: 10.1021/jm501120z
BindingDB Entry DOI: 10.7270/Q2FN17T7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50030902
PNG
(CHEMBL3356563)
Show SMILES Cc1noc(C)c1-c1ccc(cc1)-c1nc2ccc(cn2c1NC(C)(C)C)C(O)=O
Show InChI InChI=1S/C23H24N4O3/c1-13-19(14(2)30-26-13)15-6-8-16(9-7-15)20-21(25-23(3,4)5)27-12-17(22(28)29)10-11-18(27)24-20/h6-12,25H,1-5H3,(H,28,29)
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n/an/a 968n/an/an/an/an/an/a



Dana-Farber Institute

Curated by ChEMBL


Assay Description
Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay


J Med Chem 57: 9019-27 (2014)


Article DOI: 10.1021/jm501120z
BindingDB Entry DOI: 10.7270/Q2FN17T7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50030906
PNG
(CHEMBL3356560)
Show SMILES Cc1noc(C)c1-c1ccc(cc1)-c1nc2ccc(Cl)cn2c1NC(C)(C)C
Show InChI InChI=1S/C22H23ClN4O/c1-13-19(14(2)28-26-13)15-6-8-16(9-7-15)20-21(25-22(3,4)5)27-12-17(23)10-11-18(27)24-20/h6-12,25H,1-5H3
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n/an/a 1.17E+3n/an/an/an/an/an/a



Dana-Farber Institute

Curated by ChEMBL


Assay Description
Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay


J Med Chem 57: 9019-27 (2014)


Article DOI: 10.1021/jm501120z
BindingDB Entry DOI: 10.7270/Q2FN17T7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50030903
PNG
(CHEMBL3356562)
Show SMILES COC(=O)c1ccc2nc(c(NC(C)(C)C)n2c1)-c1ccc(cc1)-c1c(C)noc1C
Show InChI InChI=1S/C24H26N4O3/c1-14-20(15(2)31-27-14)16-7-9-17(10-8-16)21-22(26-24(3,4)5)28-13-18(23(29)30-6)11-12-19(28)25-21/h7-13,26H,1-6H3
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n/an/a 1.62E+3n/an/an/an/an/an/a



Dana-Farber Institute

Curated by ChEMBL


Assay Description
Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay


J Med Chem 57: 9019-27 (2014)


Article DOI: 10.1021/jm501120z
BindingDB Entry DOI: 10.7270/Q2FN17T7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50030900
PNG
(CHEMBL3356565)
Show SMILES CCCCNc1c(nc2cnccn12)-c1ccc(cc1)-c1c(C)noc1C
Show InChI InChI=1S/C21H23N5O/c1-4-5-10-23-21-20(24-18-13-22-11-12-26(18)21)17-8-6-16(7-9-17)19-14(2)25-27-15(19)3/h6-9,11-13,23H,4-5,10H2,1-3H3
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n/an/a 1.66E+3n/an/an/an/an/an/a



Dana-Farber Institute

Curated by ChEMBL


Assay Description
Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay


J Med Chem 57: 9019-27 (2014)


Article DOI: 10.1021/jm501120z
BindingDB Entry DOI: 10.7270/Q2FN17T7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50030932
PNG
(CHEMBL3356132)
Show SMILES Cc1noc(C)c1-c1ccc(C=O)cc1
Show InChI InChI=1S/C12H11NO2/c1-8-12(9(2)15-13-8)11-5-3-10(7-14)4-6-11/h3-7H,1-2H3
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n/an/a 1.70E+3n/an/an/an/an/an/a



Dana-Farber Institute

Curated by ChEMBL


Assay Description
Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay


J Med Chem 57: 9019-27 (2014)


Article DOI: 10.1021/jm501120z
BindingDB Entry DOI: 10.7270/Q2FN17T7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50030931
PNG
(CHEMBL3356133)
Show SMILES CC(=O)c1ccc(cc1)-c1c(C)noc1C
Show InChI InChI=1S/C13H13NO2/c1-8-13(10(3)16-14-8)12-6-4-11(5-7-12)9(2)15/h4-7H,1-3H3
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n/an/a 1.81E+3n/an/an/an/an/an/a



Dana-Farber Institute

Curated by ChEMBL


Assay Description
Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay


J Med Chem 57: 9019-27 (2014)


Article DOI: 10.1021/jm501120z
BindingDB Entry DOI: 10.7270/Q2FN17T7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50030926
PNG
(CHEMBL3356541)
Show SMILES Cc1noc(C)c1-c1cccc(c1)C1Nc2ccccc2NC2=C1C(=O)OC2
Show InChI InChI=1S/C22H19N3O3/c1-12-19(13(2)28-25-12)14-6-5-7-15(10-14)21-20-18(11-27-22(20)26)23-16-8-3-4-9-17(16)24-21/h3-10,21,23-24H,11H2,1-2H3
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n/an/a 2.05E+3n/an/an/an/an/an/a



Dana-Farber Institute

Curated by ChEMBL


Assay Description
Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay


J Med Chem 57: 9019-27 (2014)


Article DOI: 10.1021/jm501120z
BindingDB Entry DOI: 10.7270/Q2FN17T7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50030919
PNG
(CHEMBL3356548)
Show SMILES COc1ccc(Nc2c(nc3ccccn23)-c2ccc(cc2)-c2c(C)noc2C)cc1
Show InChI InChI=1S/C25H22N4O2/c1-16-23(17(2)31-28-16)18-7-9-19(10-8-18)24-25(29-15-5-4-6-22(29)27-24)26-20-11-13-21(30-3)14-12-20/h4-15,26H,1-3H3
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n/an/a 2.76E+3n/an/an/an/an/an/a



Dana-Farber Institute

Curated by ChEMBL


Assay Description
Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay


J Med Chem 57: 9019-27 (2014)


Article DOI: 10.1021/jm501120z
BindingDB Entry DOI: 10.7270/Q2FN17T7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50030915
PNG
(CHEMBL3356552)
Show SMILES C[C@H](Nc1c(nc2cnccn12)-c1ccc(cc1)-c1c(C)noc1C)c1ccccc1
Show InChI InChI=1S/C25H23N5O/c1-16(19-7-5-4-6-8-19)27-25-24(28-22-15-26-13-14-30(22)25)21-11-9-20(10-12-21)23-17(2)29-31-18(23)3/h4-16,27H,1-3H3/t16-/m0/s1
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n/an/a 2.86E+3n/an/an/an/an/an/a



Dana-Farber Institute

Curated by ChEMBL


Assay Description
Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay


J Med Chem 57: 9019-27 (2014)


Article DOI: 10.1021/jm501120z
BindingDB Entry DOI: 10.7270/Q2FN17T7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50030917
PNG
(CHEMBL3356550)
Show SMILES COc1ccc(Nc2c(nc3cc(OC)ncn23)-c2ccc(cc2)-c2c(C)noc2C)cc1
Show InChI InChI=1S/C25H23N5O3/c1-15-23(16(2)33-29-15)17-5-7-18(8-6-17)24-25(27-19-9-11-20(31-3)12-10-19)30-14-26-22(32-4)13-21(30)28-24/h5-14,27H,1-4H3
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n/an/a 2.89E+3n/an/an/an/an/an/a



Dana-Farber Institute

Curated by ChEMBL


Assay Description
Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay


J Med Chem 57: 9019-27 (2014)


Article DOI: 10.1021/jm501120z
BindingDB Entry DOI: 10.7270/Q2FN17T7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50030905
PNG
(CHEMBL3352858)
Show SMILES Cc1noc(C)c1-c1ccc(cc1)-c1nc2ccc(C)cn2c1NC(C)(C)C
Show InChI InChI=1S/C23H26N4O/c1-14-7-12-19-24-21(22(27(19)13-14)25-23(4,5)6)18-10-8-17(9-11-18)20-15(2)26-28-16(20)3/h7-13,25H,1-6H3
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n/an/a 3.17E+3n/an/an/an/an/an/a



Dana-Farber Institute

Curated by ChEMBL


Assay Description
Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay


J Med Chem 57: 9019-27 (2014)


Article DOI: 10.1021/jm501120z
BindingDB Entry DOI: 10.7270/Q2FN17T7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50030924
PNG
(CHEMBL3356543)
Show SMILES Cc1noc(C)c1-c1ccc(cc1)-c1nc2ccccn2c1N
Show InChI InChI=1S/C18H16N4O/c1-11-16(12(2)23-21-11)13-6-8-14(9-7-13)17-18(19)22-10-4-3-5-15(22)20-17/h3-10H,19H2,1-2H3
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n/an/a 3.89E+3n/an/an/an/an/an/a



Dana-Farber Institute

Curated by ChEMBL


Assay Description
Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay


J Med Chem 57: 9019-27 (2014)


Article DOI: 10.1021/jm501120z
BindingDB Entry DOI: 10.7270/Q2FN17T7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50030913
PNG
(CHEMBL3356554)
Show SMILES CCOC(=O)CNc1c(nc2cnccn12)-c1ccc(cc1)-c1c(C)noc1C
Show InChI InChI=1S/C21H21N5O3/c1-4-28-18(27)12-23-21-20(24-17-11-22-9-10-26(17)21)16-7-5-15(6-8-16)19-13(2)25-29-14(19)3/h5-11,23H,4,12H2,1-3H3
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n/an/a 4.53E+3n/an/an/an/an/an/a



Dana-Farber Institute

Curated by ChEMBL


Assay Description
Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay


J Med Chem 57: 9019-27 (2014)


Article DOI: 10.1021/jm501120z
BindingDB Entry DOI: 10.7270/Q2FN17T7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50030911
PNG
(CHEMBL3356555)
Show SMILES Cc1noc(C)c1-c1ccc(cc1)-c1nc2cnccn2c1NCC(=O)OC(C)(C)C
Show InChI InChI=1S/C23H25N5O3/c1-14-20(15(2)31-27-14)16-6-8-17(9-7-16)21-22(25-13-19(29)30-23(3,4)5)28-11-10-24-12-18(28)26-21/h6-12,25H,13H2,1-5H3
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n/an/a 4.96E+3n/an/an/an/an/an/a



Dana-Farber Institute

Curated by ChEMBL


Assay Description
Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay


J Med Chem 57: 9019-27 (2014)


Article DOI: 10.1021/jm501120z
BindingDB Entry DOI: 10.7270/Q2FN17T7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50030916
PNG
(CHEMBL3356551)
Show SMILES COc1ccc(Nc2c(nn3ccncc23)-c2ccc(cc2)-c2c(C)noc2C)cc1
Show InChI InChI=1S/C24H21N5O2/c1-15-22(16(2)31-28-15)17-4-6-18(7-5-17)23-24(21-14-25-12-13-29(21)27-23)26-19-8-10-20(30-3)11-9-19/h4-14,26H,1-3H3
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n/an/a 7.86E+3n/an/an/an/an/an/a



Dana-Farber Institute

Curated by ChEMBL


Assay Description
Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay


J Med Chem 57: 9019-27 (2014)


Article DOI: 10.1021/jm501120z
BindingDB Entry DOI: 10.7270/Q2FN17T7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50030933
PNG
(CHEMBL3356131)
Show SMILES Cc1noc(C)c1-c1cccc(C=O)c1
Show InChI InChI=1S/C12H11NO2/c1-8-12(9(2)15-13-8)11-5-3-4-10(6-11)7-14/h3-7H,1-2H3
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n/an/a 1.01E+4n/an/an/an/an/an/a



Dana-Farber Institute

Curated by ChEMBL


Assay Description
Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay


J Med Chem 57: 9019-27 (2014)


Article DOI: 10.1021/jm501120z
BindingDB Entry DOI: 10.7270/Q2FN17T7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50030929
PNG
(CHEMBL3356135)
Show SMILES Cc1noc(C)c1-c1ccc(cc1)-c1nc2ccccn2c1NCc1ccccc1
Show InChI InChI=1S/C25H22N4O/c1-17-23(18(2)30-28-17)20-11-13-21(14-12-20)24-25(26-16-19-8-4-3-5-9-19)29-15-7-6-10-22(29)27-24/h3-15,26H,16H2,1-2H3
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n/an/a 1.10E+4n/an/an/an/an/an/a



Dana-Farber Institute

Curated by ChEMBL


Assay Description
Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay


J Med Chem 57: 9019-27 (2014)


Article DOI: 10.1021/jm501120z
BindingDB Entry DOI: 10.7270/Q2FN17T7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50030922
PNG
(CHEMBL3356545)
Show SMILES Cc1noc(C)c1-c1ccc(cc1)-c1nc2ccc(Cl)cn2c1NCc1ccccc1
Show InChI InChI=1S/C25H21ClN4O/c1-16-23(17(2)31-29-16)19-8-10-20(11-9-19)24-25(27-14-18-6-4-3-5-7-18)30-15-21(26)12-13-22(30)28-24/h3-13,15,27H,14H2,1-2H3
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n/an/a 1.18E+4n/an/an/an/an/an/a



Dana-Farber Institute

Curated by ChEMBL


Assay Description
Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay


J Med Chem 57: 9019-27 (2014)


Article DOI: 10.1021/jm501120z
BindingDB Entry DOI: 10.7270/Q2FN17T7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50030904
PNG
(CHEMBL3356561)
Show SMILES Cc1noc(C)c1-c1ccc(cc1)-c1nc2c(cccn2c1NC(C)(C)C)C(F)(F)F
Show InChI InChI=1S/C23H23F3N4O/c1-13-18(14(2)31-29-13)15-8-10-16(11-9-15)19-21(28-22(3,4)5)30-12-6-7-17(20(30)27-19)23(24,25)26/h6-12,28H,1-5H3
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n/an/a 1.19E+4n/an/an/an/an/an/a



Dana-Farber Institute

Curated by ChEMBL


Assay Description
Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay


J Med Chem 57: 9019-27 (2014)


Article DOI: 10.1021/jm501120z
BindingDB Entry DOI: 10.7270/Q2FN17T7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50030898
PNG
(CHEMBL3356567)
Show SMILES Cc1noc(C)c1-c1ccc(nc1)-c1nc2cnccn2c1NC(C)(C)C
Show InChI InChI=1S/C20H22N6O/c1-12-17(13(2)27-25-12)14-6-7-15(22-10-14)18-19(24-20(3,4)5)26-9-8-21-11-16(26)23-18/h6-11,24H,1-5H3
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n/an/a 1.29E+4n/an/an/an/an/an/a



Dana-Farber Institute

Curated by ChEMBL


Assay Description
Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay


J Med Chem 57: 9019-27 (2014)


Article DOI: 10.1021/jm501120z
BindingDB Entry DOI: 10.7270/Q2FN17T7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50030927
PNG
(CHEMBL3356137)
Show SMILES CCCCN1C(c2ccc(-c3c(C)noc3C)c(OC)c2)C(=O)Nc2ccccc2C1=O
Show InChI InChI=1S/C25H27N3O4/c1-5-6-13-28-23(24(29)26-20-10-8-7-9-18(20)25(28)30)17-11-12-19(21(14-17)31-4)22-15(2)27-32-16(22)3/h7-12,14,23H,5-6,13H2,1-4H3,(H,26,29)
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n/an/a 1.30E+4n/an/an/an/an/an/a



Dana-Farber Institute

Curated by ChEMBL


Assay Description
Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay


J Med Chem 57: 9019-27 (2014)


Article DOI: 10.1021/jm501120z
BindingDB Entry DOI: 10.7270/Q2FN17T7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50030897
PNG
(CHEMBL3356568)
Show SMILES Cc1noc(C)c1-c1ccc(cc1F)-c1nc2cnccn2c1NC(C)(C)C
Show InChI InChI=1S/C21H22FN5O/c1-12-18(13(2)28-26-12)15-7-6-14(10-16(15)22)19-20(25-21(3,4)5)27-9-8-23-11-17(27)24-19/h6-11,25H,1-5H3
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n/an/a 1.30E+4n/an/an/an/an/an/a



Dana-Farber Institute

Curated by ChEMBL


Assay Description
Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay


J Med Chem 57: 9019-27 (2014)


Article DOI: 10.1021/jm501120z
BindingDB Entry DOI: 10.7270/Q2FN17T7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50030930
PNG
(CHEMBL3356134)
Show SMILES CCOC(=O)C(C)N(Cc1ccc(cc1)-c1c(C)noc1C)C(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C25H28N2O5/c1-6-31-25(29)17(3)27(24(28)21-11-13-22(30-5)14-12-21)15-19-7-9-20(10-8-19)23-16(2)26-32-18(23)4/h7-14,17H,6,15H2,1-5H3
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n/an/a 1.63E+4n/an/an/an/an/an/a



Dana-Farber Institute

Curated by ChEMBL


Assay Description
Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay


J Med Chem 57: 9019-27 (2014)


Article DOI: 10.1021/jm501120z
BindingDB Entry DOI: 10.7270/Q2FN17T7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50030921
PNG
(CHEMBL3356546)
Show SMILES Cc1noc(C)c1-c1ccc(cc1)-c1nc2cnccn2c1NCc1ccccc1
Show InChI InChI=1S/C24H21N5O/c1-16-22(17(2)30-28-16)19-8-10-20(11-9-19)23-24(26-14-18-6-4-3-5-7-18)29-13-12-25-15-21(29)27-23/h3-13,15,26H,14H2,1-2H3
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n/an/a 1.88E+4n/an/an/an/an/an/a



Dana-Farber Institute

Curated by ChEMBL


Assay Description
Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay


J Med Chem 57: 9019-27 (2014)


Article DOI: 10.1021/jm501120z
BindingDB Entry DOI: 10.7270/Q2FN17T7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50030909
PNG
(CHEMBL3356557)
Show SMILES Cc1noc(C)c1-c1ccc(cc1)-c1nc2ccncn2c1NC(C)(C)C
Show InChI InChI=1S/C21H23N5O/c1-13-18(14(2)27-25-13)15-6-8-16(9-7-15)19-20(24-21(3,4)5)26-12-22-11-10-17(26)23-19/h6-12,24H,1-5H3
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n/an/a 2.07E+4n/an/an/an/an/an/a



Dana-Farber Institute

Curated by ChEMBL


Assay Description
Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay


J Med Chem 57: 9019-27 (2014)


Article DOI: 10.1021/jm501120z
BindingDB Entry DOI: 10.7270/Q2FN17T7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50030918
PNG
(CHEMBL3356549)
Show SMILES COc1ccc(Nc2c(nc3ccc(Cl)cn23)-c2ccc(cc2)-c2c(C)noc2C)cc1
Show InChI InChI=1S/C25H21ClN4O2/c1-15-23(16(2)32-29-15)17-4-6-18(7-5-17)24-25(27-20-9-11-21(31-3)12-10-20)30-14-19(26)8-13-22(30)28-24/h4-14,27H,1-3H3
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n/an/a 3.15E+4n/an/an/an/an/an/a



Dana-Farber Institute

Curated by ChEMBL


Assay Description
Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay


J Med Chem 57: 9019-27 (2014)


Article DOI: 10.1021/jm501120z
BindingDB Entry DOI: 10.7270/Q2FN17T7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50030899
PNG
(CHEMBL3356566)
Show SMILES Cc1noc(C)c1-c1ccc(cn1)-c1nc2cnccn2c1NC(C)(C)C
Show InChI InChI=1S/C20H22N6O/c1-12-17(13(2)27-25-12)15-7-6-14(10-22-15)18-19(24-20(3,4)5)26-9-8-21-11-16(26)23-18/h6-11,24H,1-5H3
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n/an/a 5.19E+4n/an/an/an/an/an/a



Dana-Farber Institute

Curated by ChEMBL


Assay Description
Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay


J Med Chem 57: 9019-27 (2014)


Article DOI: 10.1021/jm501120z
BindingDB Entry DOI: 10.7270/Q2FN17T7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50353589
PNG
(CHEMBL1828979)
Show SMILES Cc1noc(C)c1-c1ccccc1
Show InChI InChI=1S/C11H11NO/c1-8-11(9(2)13-12-8)10-6-4-3-5-7-10/h3-7H,1-2H3
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n/an/a 6.50E+4n/an/an/an/an/an/a



Dana-Farber Institute

Curated by ChEMBL


Assay Description
Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay


J Med Chem 57: 9019-27 (2014)


Article DOI: 10.1021/jm501120z
BindingDB Entry DOI: 10.7270/Q2FN17T7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50030925
PNG
(CHEMBL3356542)
Show SMILES COc1ccc(cc1)-c1cc(nc(n1)-c1ccccc1)-c1ccc(cc1)-c1c(C)noc1C
Show InChI InChI=1S/C28H23N3O2/c1-18-27(19(2)33-31-18)22-11-9-20(10-12-22)25-17-26(21-13-15-24(32-3)16-14-21)30-28(29-25)23-7-5-4-6-8-23/h4-17H,1-3H3
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n/an/a 6.99E+4n/an/an/an/an/an/a



Dana-Farber Institute

Curated by ChEMBL


Assay Description
Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay


J Med Chem 57: 9019-27 (2014)


Article DOI: 10.1021/jm501120z
BindingDB Entry DOI: 10.7270/Q2FN17T7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50365262
PNG
( (S)-JQ1 (1) | CHEMBL1957266 | JQ1 | US9320741, (S...)
Show SMILES Cc1nnc2[C@H](CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1
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 8.15E+4n/an/an/an/an/an/a



Dana-Farber Institute

Curated by ChEMBL


Assay Description
Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay


J Med Chem 57: 9019-27 (2014)


Article DOI: 10.1021/jm501120z
BindingDB Entry DOI: 10.7270/Q2FN17T7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50030928
PNG
(CHEMBL3356136)
Show SMILES CCN1C(C2C(C(=O)N(CC)C2=O)[C@]1(C)C(O)=O)c1ccc(cc1)-c1c(C)noc1C
Show InChI InChI=1S/C23H27N3O5/c1-6-25-20(27)17-18(21(25)28)23(5,22(29)30)26(7-2)19(17)15-10-8-14(9-11-15)16-12(3)24-31-13(16)4/h8-11,17-19H,6-7H2,1-5H3,(H,29,30)/t17?,18?,19?,23-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Dana-Farber Institute

Curated by ChEMBL


Assay Description
Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay


J Med Chem 57: 9019-27 (2014)


Article DOI: 10.1021/jm501120z
BindingDB Entry DOI: 10.7270/Q2FN17T7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50030923
PNG
(CHEMBL3356544)
Show SMILES Cc1noc(C)c1-c1ccc(cc1)-c1nc2ccc(C)cn2c1NCc1ccccc1
Show InChI InChI=1S/C26H24N4O/c1-17-9-14-23-28-25(26(30(23)16-17)27-15-20-7-5-4-6-8-20)22-12-10-21(11-13-22)24-18(2)29-31-19(24)3/h4-14,16,27H,15H2,1-3H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Dana-Farber Institute

Curated by ChEMBL


Assay Description
Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay


J Med Chem 57: 9019-27 (2014)


Article DOI: 10.1021/jm501120z
BindingDB Entry DOI: 10.7270/Q2FN17T7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50030914
PNG
(CHEMBL3356553)
Show SMILES Cc1noc(C)c1-c1ccc(cc1)-c1nc2cnccn2c1NCC(O)=O
Show InChI InChI=1S/C19H17N5O3/c1-11-17(12(2)27-23-11)13-3-5-14(6-4-13)18-19(21-10-16(25)26)24-8-7-20-9-15(24)22-18/h3-9,21H,10H2,1-2H3,(H,25,26)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Dana-Farber Institute

Curated by ChEMBL


Assay Description
Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay


J Med Chem 57: 9019-27 (2014)


Article DOI: 10.1021/jm501120z
BindingDB Entry DOI: 10.7270/Q2FN17T7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50030934
PNG
(CHEMBL3356130)
Show SMILES Cc1noc(C)c1-c1ccccc1C=O
Show InChI InChI=1S/C12H11NO2/c1-8-12(9(2)15-13-8)11-6-4-3-5-10(11)7-14/h3-7H,1-2H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Dana-Farber Institute

Curated by ChEMBL


Assay Description
Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay


J Med Chem 57: 9019-27 (2014)


Article DOI: 10.1021/jm501120z
BindingDB Entry DOI: 10.7270/Q2FN17T7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50030894
PNG
(CHEMBL3356559)
Show SMILES Cc1noc(C)c1-c1ccc(cc1)-c1nc2cnccn2c1NC(C)(C)C
Show InChI InChI=1S/C21H23N5O/c1-13-18(14(2)27-25-13)15-6-8-16(9-7-15)19-20(24-21(3,4)5)26-11-10-22-12-17(26)23-19/h6-12,24H,1-5H3
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n/an/an/a 550n/an/an/an/an/a



Dana-Farber Institute

Curated by ChEMBL


Assay Description
Binding affinity to BRD4 (unknown origin) by isothermal titration colorimetry


J Med Chem 57: 9019-27 (2014)


Article DOI: 10.1021/jm501120z
BindingDB Entry DOI: 10.7270/Q2FN17T7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Transcription initiation factor TFIID subunit 1


(Homo sapiens)
BDBM50030894
PNG
(CHEMBL3356559)
Show SMILES Cc1noc(C)c1-c1ccc(cc1)-c1nc2cnccn2c1NC(C)(C)C
Show InChI InChI=1S/C21H23N5O/c1-13-18(14(2)27-25-13)15-6-8-16(9-7-15)19-20(24-21(3,4)5)26-11-10-22-12-17(26)23-19/h6-12,24H,1-5H3
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n/an/an/a 560n/an/an/an/an/a



Dana-Farber Institute

Curated by ChEMBL


Assay Description
Binding affinity to TAF1 (unknown origin) by bromodomain displacement assay


J Med Chem 57: 9019-27 (2014)


Article DOI: 10.1021/jm501120z
BindingDB Entry DOI: 10.7270/Q2FN17T7
More data for this
Ligand-Target Pair
Transcription initiation factor TFIID subunit 1-like


(Homo sapiens)
BDBM50030894
PNG
(CHEMBL3356559)
Show SMILES Cc1noc(C)c1-c1ccc(cc1)-c1nc2cnccn2c1NC(C)(C)C
Show InChI InChI=1S/C21H23N5O/c1-13-18(14(2)27-25-13)15-6-8-16(9-7-15)19-20(24-21(3,4)5)26-11-10-22-12-17(26)23-19/h6-12,24H,1-5H3
PDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
PDB
UniChem

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Article
PubMed
n/an/an/a 1.30E+3n/an/an/an/an/a



Dana-Farber Institute

Curated by ChEMBL


Assay Description
Binding affinity to TAF1L (unknown origin) by bromodomain displacement assay


J Med Chem 57: 9019-27 (2014)


Article DOI: 10.1021/jm501120z
BindingDB Entry DOI: 10.7270/Q2FN17T7
More data for this
Ligand-Target Pair