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Compile Data Set for Download or QSAR

Found 113 hits Enz. Inhib. hit(s) with all data for entry = 50006870   
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
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50504166
PNG
(CHEMBL4529901)
Show SMILES CN1CCN(CC1)c1nc(C(=O)c2ccccc2)c2cnn(C)c2n1
Show InChI InChI=1S/C18H20N6O/c1-22-8-10-24(11-9-22)18-20-15(14-12-19-23(2)17(14)21-18)16(25)13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3
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n/an/a 30n/an/an/an/an/an/a



Cellzome

Curated by ChEMBL


Assay Description
Displacement of biotinylated H4 peptide from His6/FLAG-tagged TEV fused ATAD2 bromodomain (950 to 1148 residues) (unknown origin) expressed in Escher...


J Med Chem 62: 7506-7525 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00673
BindingDB Entry DOI: 10.7270/Q22R3VZV
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50504159
PNG
(CHEMBL4583297)
Show SMILES CC1(NC(=O)N(CC(=O)Nc2ccc(Br)c(c2)S(=O)(=O)N2CCCCC2)C1=O)C1CC1
Show InChI InChI=1S/C20H25BrN4O5S/c1-20(13-5-6-13)18(27)25(19(28)23-20)12-17(26)22-14-7-8-15(21)16(11-14)31(29,30)24-9-3-2-4-10-24/h7-8,11,13H,2-6,9-10,12H2,1H3,(H,22,26)(H,23,28)
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n/an/a 316n/an/an/an/an/an/a



Cellzome

Curated by ChEMBL


Assay Description
Displacement of SGRG-K(Ac)-GG-K(Ac)-GLG-K(Ac)-GGAKRHRKV-biotin) from His6/FLAG-tagged TEV fused ATAD2 bromodomain (981 to 1121 residues) (unknown ori...


J Med Chem 62: 7506-7525 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00673
BindingDB Entry DOI: 10.7270/Q22R3VZV
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2B


(Homo sapiens (Human))
BDBM50504159
PNG
(CHEMBL4583297)
Show SMILES CC1(NC(=O)N(CC(=O)Nc2ccc(Br)c(c2)S(=O)(=O)N2CCCCC2)C1=O)C1CC1
Show InChI InChI=1S/C20H25BrN4O5S/c1-20(13-5-6-13)18(27)25(19(28)23-20)12-17(26)22-14-7-8-15(21)16(11-14)31(29,30)24-9-3-2-4-10-24/h7-8,11,13H,2-6,9-10,12H2,1H3,(H,22,26)(H,23,28)
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n/an/a 501n/an/an/an/an/an/a



Cellzome

Curated by ChEMBL


Assay Description
Displacement of biotinylated H4 peptide from ATAD2B bromodomain (unknown origin) by TR-FRET assay


J Med Chem 62: 7506-7525 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00673
BindingDB Entry DOI: 10.7270/Q22R3VZV
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50504158
PNG
(CHEMBL4522533)
Show SMILES CC1CCCN(C1)S(=O)(=O)c1cc(NC(=O)CN2C(=O)CNC2=O)ccc1Br
Show InChI InChI=1S/C17H21BrN4O5S/c1-11-3-2-6-21(9-11)28(26,27)14-7-12(4-5-13(14)18)20-15(23)10-22-16(24)8-19-17(22)25/h4-5,7,11H,2-3,6,8-10H2,1H3,(H,19,25)(H,20,23)
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n/an/a 631n/an/an/an/an/an/a



Cellzome

Curated by ChEMBL


Assay Description
Displacement of Alexa Fluor 488 labelled ligand from ATAD2 bromodomain (981 to 1121 residues) (unknown origin) expressed in Escherichia coli BL21(DE3...


J Med Chem 62: 7506-7525 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00673
BindingDB Entry DOI: 10.7270/Q22R3VZV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50504137
PNG
(CHEMBL4473637)
Show SMILES CC1(NC(=O)N(CC(=O)Nc2ccc(Cl)c(c2)S(=O)(=O)N2CCCCC2)C1=O)C1CC1
Show InChI InChI=1S/C20H25ClN4O5S/c1-20(13-5-6-13)18(27)25(19(28)23-20)12-17(26)22-14-7-8-15(21)16(11-14)31(29,30)24-9-3-2-4-10-24/h7-8,11,13H,2-6,9-10,12H2,1H3,(H,22,26)(H,23,28)
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Cellzome

Curated by ChEMBL


Assay Description
Displacement of SGRG-K(Ac)-GG-K(Ac)-GLG-K(Ac)-GGAKRHRKV-biotin) from His6/FLAG-tagged TEV fused ATAD2 bromodomain (981 to 1121 residues) (unknown ori...


J Med Chem 62: 7506-7525 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00673
BindingDB Entry DOI: 10.7270/Q22R3VZV
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50504137
PNG
(CHEMBL4473637)
Show SMILES CC1(NC(=O)N(CC(=O)Nc2ccc(Cl)c(c2)S(=O)(=O)N2CCCCC2)C1=O)C1CC1
Show InChI InChI=1S/C20H25ClN4O5S/c1-20(13-5-6-13)18(27)25(19(28)23-20)12-17(26)22-14-7-8-15(21)16(11-14)31(29,30)24-9-3-2-4-10-24/h7-8,11,13H,2-6,9-10,12H2,1H3,(H,22,26)(H,23,28)
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Cellzome

Curated by ChEMBL


Assay Description
Displacement of SGRG-K(Ac)-GG-K(Ac)-GLG-K(Ac)-GGAKRHRKV-biotin) from His6/FLAG-tagged TEV fused ATAD2 bromodomain (981 to 1121 residues) (unknown ori...


J Med Chem 62: 7506-7525 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00673
BindingDB Entry DOI: 10.7270/Q22R3VZV
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50504137
PNG
(CHEMBL4473637)
Show SMILES CC1(NC(=O)N(CC(=O)Nc2ccc(Cl)c(c2)S(=O)(=O)N2CCCCC2)C1=O)C1CC1
Show InChI InChI=1S/C20H25ClN4O5S/c1-20(13-5-6-13)18(27)25(19(28)23-20)12-17(26)22-14-7-8-15(21)16(11-14)31(29,30)24-9-3-2-4-10-24/h7-8,11,13H,2-6,9-10,12H2,1H3,(H,22,26)(H,23,28)
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Cellzome

Curated by ChEMBL


Assay Description
Displacement of SGRG-K(Ac)-GG-K(Ac)-GLG-K(Ac)-GGAKRHRKV-biotin) from His6/FLAG-tagged TEV fused ATAD2 bromodomain (981 to 1121 residues) (unknown ori...


J Med Chem 62: 7506-7525 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00673
BindingDB Entry DOI: 10.7270/Q22R3VZV
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50504151
PNG
(CHEMBL4519291)
Show SMILES Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(Cl)c(c1)S(=O)(=O)N1CCCCC1
Show InChI InChI=1S/C22H25ClN4O4S/c1-14-17(15(2)25-22(29)18(14)13-24)7-9-21(28)26-16-6-8-19(23)20(12-16)32(30,31)27-10-4-3-5-11-27/h6,8,12H,3-5,7,9-11H2,1-2H3,(H,25,29)(H,26,28)
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Cellzome

Curated by ChEMBL


Assay Description
Displacement of SGRG-K(Ac)-GG-K(Ac)-GLG-K(Ac)-GGAKRHRKV-biotin) from His6/FLAG-tagged TEV fused ATAD2 bromodomain (981 to 1121 residues) (unknown ori...


J Med Chem 62: 7506-7525 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00673
BindingDB Entry DOI: 10.7270/Q22R3VZV
More data for this
Ligand-Target Pair
Chromatin remodeling regulator CECR2


(Homo sapiens (Human))
BDBM50504159
PNG
(CHEMBL4583297)
Show SMILES CC1(NC(=O)N(CC(=O)Nc2ccc(Br)c(c2)S(=O)(=O)N2CCCCC2)C1=O)C1CC1
Show InChI InChI=1S/C20H25BrN4O5S/c1-20(13-5-6-13)18(27)25(19(28)23-20)12-17(26)22-14-7-8-15(21)16(11-14)31(29,30)24-9-3-2-4-10-24/h7-8,11,13H,2-6,9-10,12H2,1H3,(H,22,26)(H,23,28)
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n/an/a 2.51E+3n/an/an/an/an/an/a



Cellzome

Curated by ChEMBL


Assay Description
Inhibition of CECR2 (unknown origin) by TR-FRET assay


J Med Chem 62: 7506-7525 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00673
BindingDB Entry DOI: 10.7270/Q22R3VZV
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50504140
PNG
(CHEMBL4444016)
Show SMILES Clc1ccc(NC(=O)CN2C(=O)NC(CCc3ccccc3)C2=O)cc1S(=O)(=O)N1CCCCC1
Show InChI InChI=1S/C24H27ClN4O5S/c25-19-11-10-18(15-21(19)35(33,34)28-13-5-2-6-14-28)26-22(30)16-29-23(31)20(27-24(29)32)12-9-17-7-3-1-4-8-17/h1,3-4,7-8,10-11,15,20H,2,5-6,9,12-14,16H2,(H,26,30)(H,27,32)
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n/an/a 3.16E+3n/an/an/an/an/an/a



Cellzome

Curated by ChEMBL


Assay Description
Displacement of SGRG-K(Ac)-GG-K(Ac)-GLG-K(Ac)-GGAKRHRKV-biotin) from His6/FLAG-tagged TEV fused ATAD2 bromodomain (981 to 1121 residues) (unknown ori...


J Med Chem 62: 7506-7525 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00673
BindingDB Entry DOI: 10.7270/Q22R3VZV
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50504159
PNG
(CHEMBL4583297)
Show SMILES CC1(NC(=O)N(CC(=O)Nc2ccc(Br)c(c2)S(=O)(=O)N2CCCCC2)C1=O)C1CC1
Show InChI InChI=1S/C20H25BrN4O5S/c1-20(13-5-6-13)18(27)25(19(28)23-20)12-17(26)22-14-7-8-15(21)16(11-14)31(29,30)24-9-3-2-4-10-24/h7-8,11,13H,2-6,9-10,12H2,1H3,(H,22,26)(H,23,28)
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n/an/a 3.98E+3n/an/an/an/an/an/a



Cellzome

Curated by ChEMBL


Assay Description
Inhibition of ATAD2 bromodomain in human HUT78 chromatin lysate after 2 hrs by bromosphere competition binding assay


J Med Chem 62: 7506-7525 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00673
BindingDB Entry DOI: 10.7270/Q22R3VZV
More data for this
Ligand-Target Pair
Transcription initiation factor TFIID subunit 1


(Homo sapiens (Human))
BDBM50504159
PNG
(CHEMBL4583297)
Show SMILES CC1(NC(=O)N(CC(=O)Nc2ccc(Br)c(c2)S(=O)(=O)N2CCCCC2)C1=O)C1CC1
Show InChI InChI=1S/C20H25BrN4O5S/c1-20(13-5-6-13)18(27)25(19(28)23-20)12-17(26)22-14-7-8-15(21)16(11-14)31(29,30)24-9-3-2-4-10-24/h7-8,11,13H,2-6,9-10,12H2,1H3,(H,22,26)(H,23,28)
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n/an/a 3.98E+3n/an/an/an/an/an/a



Cellzome

Curated by ChEMBL


Assay Description
Inhibition of TAF1 BD2 (unknown origin) by TR-FRET assay


J Med Chem 62: 7506-7525 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00673
BindingDB Entry DOI: 10.7270/Q22R3VZV
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50504152
PNG
(CHEMBL4594076)
Show SMILES Cc1ccc(cc1)C1(C)NC(=O)N(CC(=O)Nc2ccc(C)c(c2)S(=O)(=O)N2CCCCC2)C1=O
Show InChI InChI=1S/C25H30N4O5S/c1-17-7-10-19(11-8-17)25(3)23(31)29(24(32)27-25)16-22(30)26-20-12-9-18(2)21(15-20)35(33,34)28-13-5-4-6-14-28/h7-12,15H,4-6,13-14,16H2,1-3H3,(H,26,30)(H,27,32)
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n/an/a 5.01E+3n/an/an/an/an/an/a



Cellzome

Curated by ChEMBL


Assay Description
Displacement of Alexa Fluor 647 labelled ligand from His6-tagged BRD4 BD1 (1 to 477 residues)/BD2 Y390A mutant (unknown origin) after 30 mins by TR-F...


J Med Chem 62: 7506-7525 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00673
BindingDB Entry DOI: 10.7270/Q22R3VZV
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50504142
PNG
(CHEMBL1608898)
Show SMILES CN(C)S(=O)(=O)c1cc(NC(=O)CN2C(=O)NC3(CCCc4ccccc34)C2=O)ccc1Cl
Show InChI InChI=1S/C22H23ClN4O5S/c1-26(2)33(31,32)18-12-15(9-10-17(18)23)24-19(28)13-27-20(29)22(25-21(27)30)11-5-7-14-6-3-4-8-16(14)22/h3-4,6,8-10,12H,5,7,11,13H2,1-2H3,(H,24,28)(H,25,30)
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n/an/a 5.01E+3n/an/an/an/an/an/a



Cellzome

Curated by ChEMBL


Assay Description
Displacement of SGRG-K(Ac)-GG-K(Ac)-GLG-K(Ac)-GGAKRHRKV-biotin) from His6/FLAG-tagged TEV fused ATAD2 bromodomain (981 to 1121 residues) (unknown ori...


J Med Chem 62: 7506-7525 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00673
BindingDB Entry DOI: 10.7270/Q22R3VZV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50504156
PNG
(CHEMBL1324835)
Show SMILES Cc1ccc(NC(=O)CN2C(=O)NC3(CCc4ccccc34)C2=O)cc1S(=O)(=O)N1CCCCC1
Show InChI InChI=1S/C25H28N4O5S/c1-17-9-10-19(15-21(17)35(33,34)28-13-5-2-6-14-28)26-22(30)16-29-23(31)25(27-24(29)32)12-11-18-7-3-4-8-20(18)25/h3-4,7-10,15H,2,5-6,11-14,16H2,1H3,(H,26,30)(H,27,32)
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n/an/a 7.94E+3n/an/an/an/an/an/a



Cellzome

Curated by ChEMBL


Assay Description
Displacement of SGRG-K(Ac)-GG-K(Ac)-GLG-K(Ac)-GGAKRHRKV-biotin) from His6/FLAG-tagged TEV fused ATAD2 bromodomain (981 to 1121 residues) (unknown ori...


J Med Chem 62: 7506-7525 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00673
BindingDB Entry DOI: 10.7270/Q22R3VZV
More data for this
Ligand-Target Pair
Bromodomain and PHD finger-containing protein 3


(Homo sapiens (Human))
BDBM50504159
PNG
(CHEMBL4583297)
Show SMILES CC1(NC(=O)N(CC(=O)Nc2ccc(Br)c(c2)S(=O)(=O)N2CCCCC2)C1=O)C1CC1
Show InChI InChI=1S/C20H25BrN4O5S/c1-20(13-5-6-13)18(27)25(19(28)23-20)12-17(26)22-14-7-8-15(21)16(11-14)31(29,30)24-9-3-2-4-10-24/h7-8,11,13H,2-6,9-10,12H2,1H3,(H,22,26)(H,23,28)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Cellzome

Curated by ChEMBL


Assay Description
Inhibition of BRPF3 (unknown origin) by TR-FRET assay


J Med Chem 62: 7506-7525 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00673
BindingDB Entry DOI: 10.7270/Q22R3VZV
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50504141
PNG
(CHEMBL1875673)
Show SMILES CSCCC1NC(=O)N(CC(=O)Nc2ccc(Cl)c(c2)S(=O)(=O)N2CCOCC2)C1=O
Show InChI InChI=1S/C18H23ClN4O6S2/c1-30-9-4-14-17(25)23(18(26)21-14)11-16(24)20-12-2-3-13(19)15(10-12)31(27,28)22-5-7-29-8-6-22/h2-3,10,14H,4-9,11H2,1H3,(H,20,24)(H,21,26)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Cellzome

Curated by ChEMBL


Assay Description
Displacement of SGRG-K(Ac)-GG-K(Ac)-GLG-K(Ac)-GGAKRHRKV-biotin) from His6/FLAG-tagged TEV fused ATAD2 bromodomain (981 to 1121 residues) (unknown ori...


J Med Chem 62: 7506-7525 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00673
BindingDB Entry DOI: 10.7270/Q22R3VZV
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50504162
PNG
(CHEMBL4467887)
Show SMILES Clc1ccc(NC(=O)CCNC2=NS(=O)(=O)c3ccccc23)cc1S(=O)(=O)N1CCCC1 |t:11|
Show InChI InChI=1S/C20H21ClN4O5S2/c21-16-8-7-14(13-18(16)32(29,30)25-11-3-4-12-25)23-19(26)9-10-22-20-15-5-1-2-6-17(15)31(27,28)24-20/h1-2,5-8,13H,3-4,9-12H2,(H,22,24)(H,23,26)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Cellzome

Curated by ChEMBL


Assay Description
Displacement of SGRG-K(Ac)-GG-K(Ac)-GLG-K(Ac)-GGAKRHRKV-biotin) from His6/FLAG-tagged TEV fused ATAD2 bromodomain (981 to 1121 residues) (unknown ori...


J Med Chem 62: 7506-7525 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00673
BindingDB Entry DOI: 10.7270/Q22R3VZV
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50504167
PNG
(CHEMBL2138220)
Show SMILES Cc1ccc(NC(=O)CN2C(=O)NC(C)(C)C2=O)cc1S(=O)(=O)N1CCCCCC1
Show InChI InChI=1S/C20H28N4O5S/c1-14-8-9-15(12-16(14)30(28,29)23-10-6-4-5-7-11-23)21-17(25)13-24-18(26)20(2,3)22-19(24)27/h8-9,12H,4-7,10-11,13H2,1-3H3,(H,21,25)(H,22,27)
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Cellzome

Curated by ChEMBL


Assay Description
Displacement of SGRG-K(Ac)-GG-K(Ac)-GLG-K(Ac)-GGAKRHRKV-biotin) from His6/FLAG-tagged TEV fused ATAD2 bromodomain (981 to 1121 residues) (unknown ori...


J Med Chem 62: 7506-7525 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00673
BindingDB Entry DOI: 10.7270/Q22R3VZV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50504137
PNG
(CHEMBL4473637)
Show SMILES CC1(NC(=O)N(CC(=O)Nc2ccc(Cl)c(c2)S(=O)(=O)N2CCCCC2)C1=O)C1CC1
Show InChI InChI=1S/C20H25ClN4O5S/c1-20(13-5-6-13)18(27)25(19(28)23-20)12-17(26)22-14-7-8-15(21)16(11-14)31(29,30)24-9-3-2-4-10-24/h7-8,11,13H,2-6,9-10,12H2,1H3,(H,22,26)(H,23,28)
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Cellzome

Curated by ChEMBL


Assay Description
Displacement of Alexa Fluor 647 labelled ligand from His6-tagged BRD4 BD1 (1 to 477 residues)/BD2 Y390A mutant (unknown origin) after 30 mins by TR-F...


J Med Chem 62: 7506-7525 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00673
BindingDB Entry DOI: 10.7270/Q22R3VZV
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50504153
PNG
(CHEMBL4568748)
Show SMILES CC1(NC(=O)N(CC(=O)Nc2ccc(c(c2)S(=O)(=O)N2CCCCC2)C(F)(F)F)C1=O)C1CC1
Show InChI InChI=1S/C21H25F3N4O5S/c1-20(13-5-6-13)18(30)28(19(31)26-20)12-17(29)25-14-7-8-15(21(22,23)24)16(11-14)34(32,33)27-9-3-2-4-10-27/h7-8,11,13H,2-6,9-10,12H2,1H3,(H,25,29)(H,26,31)
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Cellzome

Curated by ChEMBL


Assay Description
Displacement of SGRG-K(Ac)-GG-K(Ac)-GLG-K(Ac)-GGAKRHRKV-biotin) from His6/FLAG-tagged TEV fused ATAD2 bromodomain (981 to 1121 residues) (unknown ori...


J Med Chem 62: 7506-7525 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00673
BindingDB Entry DOI: 10.7270/Q22R3VZV
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50504152
PNG
(CHEMBL4594076)
Show SMILES Cc1ccc(cc1)C1(C)NC(=O)N(CC(=O)Nc2ccc(C)c(c2)S(=O)(=O)N2CCCCC2)C1=O
Show InChI InChI=1S/C25H30N4O5S/c1-17-7-10-19(11-8-17)25(3)23(31)29(24(32)27-25)16-22(30)26-20-12-9-18(2)21(15-20)35(33,34)28-13-5-4-6-14-28/h7-12,15H,4-6,13-14,16H2,1-3H3,(H,26,30)(H,27,32)
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Cellzome

Curated by ChEMBL


Assay Description
Displacement of SGRG-K(Ac)-GG-K(Ac)-GLG-K(Ac)-GGAKRHRKV-biotin) from His6/FLAG-tagged TEV fused ATAD2 bromodomain (981 to 1121 residues) (unknown ori...


J Med Chem 62: 7506-7525 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00673
BindingDB Entry DOI: 10.7270/Q22R3VZV
More data for this
Ligand-Target Pair
Bromodomain-containing protein 1


(Homo sapiens (Human))
BDBM50504159
PNG
(CHEMBL4583297)
Show SMILES CC1(NC(=O)N(CC(=O)Nc2ccc(Br)c(c2)S(=O)(=O)N2CCCCC2)C1=O)C1CC1
Show InChI InChI=1S/C20H25BrN4O5S/c1-20(13-5-6-13)18(27)25(19(28)23-20)12-17(26)22-14-7-8-15(21)16(11-14)31(29,30)24-9-3-2-4-10-24/h7-8,11,13H,2-6,9-10,12H2,1H3,(H,22,26)(H,23,28)
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Cellzome

Curated by ChEMBL


Assay Description
Inhibition of BRPF2 (unknown origin) by TR-FRET assay


J Med Chem 62: 7506-7525 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00673
BindingDB Entry DOI: 10.7270/Q22R3VZV
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50504145
PNG
(CHEMBL1711265)
Show SMILES Cc1ccccc1C(=O)NCC(=O)Nc1ccc(C)c(c1)S(=O)(=O)N1CCCCCC1
Show InChI InChI=1S/C23H29N3O4S/c1-17-9-5-6-10-20(17)23(28)24-16-22(27)25-19-12-11-18(2)21(15-19)31(29,30)26-13-7-3-4-8-14-26/h5-6,9-12,15H,3-4,7-8,13-14,16H2,1-2H3,(H,24,28)(H,25,27)
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Cellzome

Curated by ChEMBL


Assay Description
Displacement of SGRG-K(Ac)-GG-K(Ac)-GLG-K(Ac)-GGAKRHRKV-biotin) from His6/FLAG-tagged TEV fused ATAD2 bromodomain (981 to 1121 residues) (unknown ori...


J Med Chem 62: 7506-7525 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00673
BindingDB Entry DOI: 10.7270/Q22R3VZV
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50504143
PNG
(CHEMBL1602822)
Show SMILES Cc1ccc(NC(=O)CN2C(=O)NC(C)(C3CC3)C2=O)cc1S(=O)(=O)N1CCCCC1
Show InChI InChI=1S/C21H28N4O5S/c1-14-6-9-16(12-17(14)31(29,30)24-10-4-3-5-11-24)22-18(26)13-25-19(27)21(2,15-7-8-15)23-20(25)28/h6,9,12,15H,3-5,7-8,10-11,13H2,1-2H3,(H,22,26)(H,23,28)
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Cellzome

Curated by ChEMBL


Assay Description
Displacement of SGRG-K(Ac)-GG-K(Ac)-GLG-K(Ac)-GGAKRHRKV-biotin) from His6/FLAG-tagged TEV fused ATAD2 bromodomain (981 to 1121 residues) (unknown ori...


J Med Chem 62: 7506-7525 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00673
BindingDB Entry DOI: 10.7270/Q22R3VZV
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50504137
PNG
(CHEMBL4473637)
Show SMILES CC1(NC(=O)N(CC(=O)Nc2ccc(Cl)c(c2)S(=O)(=O)N2CCCCC2)C1=O)C1CC1
Show InChI InChI=1S/C20H25ClN4O5S/c1-20(13-5-6-13)18(27)25(19(28)23-20)12-17(26)22-14-7-8-15(21)16(11-14)31(29,30)24-9-3-2-4-10-24/h7-8,11,13H,2-6,9-10,12H2,1H3,(H,22,26)(H,23,28)
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Cellzome

Curated by ChEMBL


Assay Description
Inhibition of ATAD2 bromodomain in human HUT78 chromatin lysate after 2 hrs by bromosphere competition binding assay


J Med Chem 62: 7506-7525 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00673
BindingDB Entry DOI: 10.7270/Q22R3VZV
More data for this
Ligand-Target Pair
Bromodomain testis-specific protein


(Homo sapiens (Human))
BDBM50504159
PNG
(CHEMBL4583297)
Show SMILES CC1(NC(=O)N(CC(=O)Nc2ccc(Br)c(c2)S(=O)(=O)N2CCCCC2)C1=O)C1CC1
Show InChI InChI=1S/C20H25BrN4O5S/c1-20(13-5-6-13)18(27)25(19(28)23-20)12-17(26)22-14-7-8-15(21)16(11-14)31(29,30)24-9-3-2-4-10-24/h7-8,11,13H,2-6,9-10,12H2,1H3,(H,22,26)(H,23,28)
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Cellzome

Curated by ChEMBL


Assay Description
Displacement of Alexa Fluor 647 labelled ligand from His6/FLAG-tagged TEV fused BRDT BD2(1 to 397 residues)/BD2 Y66A mutant (unknown origin) after 30...


J Med Chem 62: 7506-7525 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00673
BindingDB Entry DOI: 10.7270/Q22R3VZV
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50504151
PNG
(CHEMBL4519291)
Show SMILES Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(Cl)c(c1)S(=O)(=O)N1CCCCC1
Show InChI InChI=1S/C22H25ClN4O4S/c1-14-17(15(2)25-22(29)18(14)13-24)7-9-21(28)26-16-6-8-19(23)20(12-16)32(30,31)27-10-4-3-5-11-27/h6,8,12H,3-5,7,9-11H2,1-2H3,(H,25,29)(H,26,28)
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Cellzome

Curated by ChEMBL


Assay Description
Inhibition of ATAD2 bromodomain in human HUT78 chromatin lysate after 2 hrs by bromosphere competition binding assay


J Med Chem 62: 7506-7525 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00673
BindingDB Entry DOI: 10.7270/Q22R3VZV
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50504150
PNG
(CHEMBL4514656)
Show SMILES CCC(=O)Nc1ccc(Br)c(c1)S(=O)(=O)N1CCCCC1
Show InChI InChI=1S/C14H19BrN2O3S/c1-2-14(18)16-11-6-7-12(15)13(10-11)21(19,20)17-8-4-3-5-9-17/h6-7,10H,2-5,8-9H2,1H3,(H,16,18)
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Cellzome

Curated by ChEMBL


Assay Description
Displacement of SGRG-K(Ac)-GG-K(Ac)-GLG-K(Ac)-GGAKRHRKV-biotin) from His6/FLAG-tagged TEV fused ATAD2 bromodomain (981 to 1121 residues) (unknown ori...


J Med Chem 62: 7506-7525 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00673
BindingDB Entry DOI: 10.7270/Q22R3VZV
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50504159
PNG
(CHEMBL4583297)
Show SMILES CC1(NC(=O)N(CC(=O)Nc2ccc(Br)c(c2)S(=O)(=O)N2CCCCC2)C1=O)C1CC1
Show InChI InChI=1S/C20H25BrN4O5S/c1-20(13-5-6-13)18(27)25(19(28)23-20)12-17(26)22-14-7-8-15(21)16(11-14)31(29,30)24-9-3-2-4-10-24/h7-8,11,13H,2-6,9-10,12H2,1H3,(H,22,26)(H,23,28)
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Cellzome

Curated by ChEMBL


Assay Description
Displacement of Alexa Fluor 647 labelled ligand from His6-tagged BRD4 BD2 (1 to 477 residues)/BD1 Y97A mutant (unknown origin) after 30 mins by TR-FR...


J Med Chem 62: 7506-7525 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00673
BindingDB Entry DOI: 10.7270/Q22R3VZV
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50504159
PNG
(CHEMBL4583297)
Show SMILES CC1(NC(=O)N(CC(=O)Nc2ccc(Br)c(c2)S(=O)(=O)N2CCCCC2)C1=O)C1CC1
Show InChI InChI=1S/C20H25BrN4O5S/c1-20(13-5-6-13)18(27)25(19(28)23-20)12-17(26)22-14-7-8-15(21)16(11-14)31(29,30)24-9-3-2-4-10-24/h7-8,11,13H,2-6,9-10,12H2,1H3,(H,22,26)(H,23,28)
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Cellzome

Curated by ChEMBL


Assay Description
Displacement of Alexa Fluor 647 labelled ligand from His6-tagged BRD2 BD2 (1 to 473 residues)/BD1 Y113A mutant (unknown origin) after 30 mins by TR-F...


J Med Chem 62: 7506-7525 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00673
BindingDB Entry DOI: 10.7270/Q22R3VZV
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50504153
PNG
(CHEMBL4568748)
Show SMILES CC1(NC(=O)N(CC(=O)Nc2ccc(c(c2)S(=O)(=O)N2CCCCC2)C(F)(F)F)C1=O)C1CC1
Show InChI InChI=1S/C21H25F3N4O5S/c1-20(13-5-6-13)18(30)28(19(31)26-20)12-17(29)25-14-7-8-15(21(22,23)24)16(11-14)34(32,33)27-9-3-2-4-10-27/h7-8,11,13H,2-6,9-10,12H2,1H3,(H,25,29)(H,26,31)
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Cellzome

Curated by ChEMBL


Assay Description
Displacement of Alexa Fluor 647 labelled ligand from His6-tagged BRD4 BD2 (1 to 477 residues)/BD1 Y97A mutant (unknown origin) after 30 mins by TR-FR...


J Med Chem 62: 7506-7525 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00673
BindingDB Entry DOI: 10.7270/Q22R3VZV
More data for this
Ligand-Target Pair
Bromodomain testis-specific protein


(Homo sapiens (Human))
BDBM50504159
PNG
(CHEMBL4583297)
Show SMILES CC1(NC(=O)N(CC(=O)Nc2ccc(Br)c(c2)S(=O)(=O)N2CCCCC2)C1=O)C1CC1
Show InChI InChI=1S/C20H25BrN4O5S/c1-20(13-5-6-13)18(27)25(19(28)23-20)12-17(26)22-14-7-8-15(21)16(11-14)31(29,30)24-9-3-2-4-10-24/h7-8,11,13H,2-6,9-10,12H2,1H3,(H,22,26)(H,23,28)
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Cellzome

Curated by ChEMBL


Assay Description
Displacement of Alexa Fluor 647 labelled ligand from His6/FLAG-tagged TEV fused BRDT BD1(1 to 397 residues)/BD2 Y309A mutant (unknown origin) after 3...


J Med Chem 62: 7506-7525 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00673
BindingDB Entry DOI: 10.7270/Q22R3VZV
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50504146
PNG
(CHEMBL4439026)
Show SMILES CC1(NC(=O)N(CC(=O)Nc2cccc(c2)S(=O)(=O)N2CCCCC2)C1=O)C1CC1
Show InChI InChI=1S/C20H26N4O5S/c1-20(14-8-9-14)18(26)24(19(27)22-20)13-17(25)21-15-6-5-7-16(12-15)30(28,29)23-10-3-2-4-11-23/h5-7,12,14H,2-4,8-11,13H2,1H3,(H,21,25)(H,22,27)
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Cellzome

Curated by ChEMBL


Assay Description
Displacement of Alexa Fluor 647 labelled ligand from His6-tagged BRD4 BD2 (1 to 477 residues)/BD1 Y97A mutant (unknown origin) after 30 mins by TR-FR...


J Med Chem 62: 7506-7525 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00673
BindingDB Entry DOI: 10.7270/Q22R3VZV
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50504159
PNG
(CHEMBL4583297)
Show SMILES CC1(NC(=O)N(CC(=O)Nc2ccc(Br)c(c2)S(=O)(=O)N2CCCCC2)C1=O)C1CC1
Show InChI InChI=1S/C20H25BrN4O5S/c1-20(13-5-6-13)18(27)25(19(28)23-20)12-17(26)22-14-7-8-15(21)16(11-14)31(29,30)24-9-3-2-4-10-24/h7-8,11,13H,2-6,9-10,12H2,1H3,(H,22,26)(H,23,28)
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Cellzome

Curated by ChEMBL


Assay Description
Displacement of Alexa Fluor 647 labelled ligand from His6-tagged BRD3 BD2(1 to 435 residues)/BD1 Y73A mutant (unknown origin) after 30 mins by TR-FRE...


J Med Chem 62: 7506-7525 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00673
BindingDB Entry DOI: 10.7270/Q22R3VZV
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50504138
PNG
(CHEMBL1424006)
Show SMILES CCN(CC)S(=O)(=O)c1cc(NC(=O)CN2C(=O)NC(C)(C2=O)c2ccccc2)ccc1C
Show InChI InChI=1S/C23H28N4O5S/c1-5-26(6-2)33(31,32)19-14-18(13-12-16(19)3)24-20(28)15-27-21(29)23(4,25-22(27)30)17-10-8-7-9-11-17/h7-14H,5-6,15H2,1-4H3,(H,24,28)(H,25,30)
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Cellzome

Curated by ChEMBL


Assay Description
Displacement of SGRG-K(Ac)-GG-K(Ac)-GLG-K(Ac)-GGAKRHRKV-biotin) from His6/FLAG-tagged TEV fused ATAD2 bromodomain (981 to 1121 residues) (unknown ori...


J Med Chem 62: 7506-7525 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00673
BindingDB Entry DOI: 10.7270/Q22R3VZV
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50504158
PNG
(CHEMBL4522533)
Show SMILES CC1CCCN(C1)S(=O)(=O)c1cc(NC(=O)CN2C(=O)CNC2=O)ccc1Br
Show InChI InChI=1S/C17H21BrN4O5S/c1-11-3-2-6-21(9-11)28(26,27)14-7-12(4-5-13(14)18)20-15(23)10-22-16(24)8-19-17(22)25/h4-5,7,11H,2-3,6,8-10H2,1H3,(H,19,25)(H,20,23)
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Cellzome

Curated by ChEMBL


Assay Description
Displacement of Alexa Fluor 647 labelled ligand from His6-tagged BRD4 BD2 (1 to 477 residues)/BD1 Y97A mutant (unknown origin) after 30 mins by TR-FR...


J Med Chem 62: 7506-7525 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00673
BindingDB Entry DOI: 10.7270/Q22R3VZV
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50504155
PNG
(CHEMBL1731756)
Show SMILES Clc1ccc(NC(=O)CCNC(=O)c2ccccc2)cc1S(=O)(=O)N1CCCCC1
Show InChI InChI=1S/C21H24ClN3O4S/c22-18-10-9-17(15-19(18)30(28,29)25-13-5-2-6-14-25)24-20(26)11-12-23-21(27)16-7-3-1-4-8-16/h1,3-4,7-10,15H,2,5-6,11-14H2,(H,23,27)(H,24,26)
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Cellzome

Curated by ChEMBL


Assay Description
Displacement of Alexa Fluor 647 labelled ligand from His6-tagged BRD4 BD2 (1 to 477 residues)/BD1 Y97A mutant (unknown origin) after 30 mins by TR-FR...


J Med Chem 62: 7506-7525 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00673
BindingDB Entry DOI: 10.7270/Q22R3VZV
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50504145
PNG
(CHEMBL1711265)
Show SMILES Cc1ccccc1C(=O)NCC(=O)Nc1ccc(C)c(c1)S(=O)(=O)N1CCCCCC1
Show InChI InChI=1S/C23H29N3O4S/c1-17-9-5-6-10-20(17)23(28)24-16-22(27)25-19-12-11-18(2)21(15-19)31(29,30)26-13-7-3-4-8-14-26/h5-6,9-12,15H,3-4,7-8,13-14,16H2,1-2H3,(H,24,28)(H,25,27)
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Cellzome

Curated by ChEMBL


Assay Description
Inhibition of ATAD2 bromodomain in human HUT78 chromatin lysate after 2 hrs by bromosphere competition binding assay


J Med Chem 62: 7506-7525 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00673
BindingDB Entry DOI: 10.7270/Q22R3VZV
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50504138
PNG
(CHEMBL1424006)
Show SMILES CCN(CC)S(=O)(=O)c1cc(NC(=O)CN2C(=O)NC(C)(C2=O)c2ccccc2)ccc1C
Show InChI InChI=1S/C23H28N4O5S/c1-5-26(6-2)33(31,32)19-14-18(13-12-16(19)3)24-20(28)15-27-21(29)23(4,25-22(27)30)17-10-8-7-9-11-17/h7-14H,5-6,15H2,1-4H3,(H,24,28)(H,25,30)
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Cellzome

Curated by ChEMBL


Assay Description
Displacement of Alexa Fluor 647 labelled ligand from His6-tagged BRD4 BD2 (1 to 477 residues)/BD1 Y97A mutant (unknown origin) after 30 mins by TR-FR...


J Med Chem 62: 7506-7525 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00673
BindingDB Entry DOI: 10.7270/Q22R3VZV
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50504137
PNG
(CHEMBL4473637)
Show SMILES CC1(NC(=O)N(CC(=O)Nc2ccc(Cl)c(c2)S(=O)(=O)N2CCCCC2)C1=O)C1CC1
Show InChI InChI=1S/C20H25ClN4O5S/c1-20(13-5-6-13)18(27)25(19(28)23-20)12-17(26)22-14-7-8-15(21)16(11-14)31(29,30)24-9-3-2-4-10-24/h7-8,11,13H,2-6,9-10,12H2,1H3,(H,22,26)(H,23,28)
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Cellzome

Curated by ChEMBL


Assay Description
Displacement of Alexa Fluor 647 labelled ligand from His6-tagged BRD4 BD2 (1 to 477 residues)/BD1 Y97A mutant (unknown origin) after 30 mins by TR-FR...


J Med Chem 62: 7506-7525 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00673
BindingDB Entry DOI: 10.7270/Q22R3VZV
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50504137
PNG
(CHEMBL4473637)
Show SMILES CC1(NC(=O)N(CC(=O)Nc2ccc(Cl)c(c2)S(=O)(=O)N2CCCCC2)C1=O)C1CC1
Show InChI InChI=1S/C20H25ClN4O5S/c1-20(13-5-6-13)18(27)25(19(28)23-20)12-17(26)22-14-7-8-15(21)16(11-14)31(29,30)24-9-3-2-4-10-24/h7-8,11,13H,2-6,9-10,12H2,1H3,(H,22,26)(H,23,28)
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Cellzome

Curated by ChEMBL


Assay Description
Displacement of Alexa Fluor 647 labelled ligand from His6-tagged BRD4 BD2 (1 to 477 residues)/BD1 Y97A mutant (unknown origin) after 30 mins by TR-FR...


J Med Chem 62: 7506-7525 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00673
BindingDB Entry DOI: 10.7270/Q22R3VZV
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50504139
PNG
(CHEMBL4469720)
Show SMILES Clc1ccc(NC(=O)CNC(=O)C2CCCCC2)cc1S(=O)(=O)N1CCCCC1
Show InChI InChI=1S/C20H28ClN3O4S/c21-17-10-9-16(13-18(17)29(27,28)24-11-5-2-6-12-24)23-19(25)14-22-20(26)15-7-3-1-4-8-15/h9-10,13,15H,1-8,11-12,14H2,(H,22,26)(H,23,25)
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Cellzome

Curated by ChEMBL


Assay Description
Displacement of Alexa Fluor 647 labelled ligand from His6-tagged BRD4 BD1 (1 to 477 residues)/BD2 Y390A mutant (unknown origin) after 30 mins by TR-F...


J Med Chem 62: 7506-7525 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00673
BindingDB Entry DOI: 10.7270/Q22R3VZV
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50504137
PNG
(CHEMBL4473637)
Show SMILES CC1(NC(=O)N(CC(=O)Nc2ccc(Cl)c(c2)S(=O)(=O)N2CCCCC2)C1=O)C1CC1
Show InChI InChI=1S/C20H25ClN4O5S/c1-20(13-5-6-13)18(27)25(19(28)23-20)12-17(26)22-14-7-8-15(21)16(11-14)31(29,30)24-9-3-2-4-10-24/h7-8,11,13H,2-6,9-10,12H2,1H3,(H,22,26)(H,23,28)
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Cellzome

Curated by ChEMBL


Assay Description
Displacement of Alexa Fluor 647 labelled ligand from His6-tagged BRD4 BD2 (1 to 477 residues)/BD1 Y97A mutant (unknown origin) after 30 mins by TR-FR...


J Med Chem 62: 7506-7525 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00673
BindingDB Entry DOI: 10.7270/Q22R3VZV
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50504144
PNG
(CHEMBL1494739)
Show SMILES CN1CC(=O)N(CC(=O)Nc2ccc(C)c(c2)S(=O)(=O)N2CCCCC2)C1=O
Show InChI InChI=1S/C18H24N4O5S/c1-13-6-7-14(10-15(13)28(26,27)21-8-4-3-5-9-21)19-16(23)11-22-17(24)12-20(2)18(22)25/h6-7,10H,3-5,8-9,11-12H2,1-2H3,(H,19,23)
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Cellzome

Curated by ChEMBL


Assay Description
Displacement of SGRG-K(Ac)-GG-K(Ac)-GLG-K(Ac)-GGAKRHRKV-biotin) from His6/FLAG-tagged TEV fused ATAD2 bromodomain (981 to 1121 residues) (unknown ori...


J Med Chem 62: 7506-7525 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00673
BindingDB Entry DOI: 10.7270/Q22R3VZV
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50504151
PNG
(CHEMBL4519291)
Show SMILES Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(Cl)c(c1)S(=O)(=O)N1CCCCC1
Show InChI InChI=1S/C22H25ClN4O4S/c1-14-17(15(2)25-22(29)18(14)13-24)7-9-21(28)26-16-6-8-19(23)20(12-16)32(30,31)27-10-4-3-5-11-27/h6,8,12H,3-5,7,9-11H2,1-2H3,(H,25,29)(H,26,28)
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Cellzome

Curated by ChEMBL


Assay Description
Displacement of Alexa Fluor 647 labelled ligand from His6-tagged BRD4 BD1 (1 to 477 residues)/BD2 Y390A mutant (unknown origin) after 30 mins by TR-F...


J Med Chem 62: 7506-7525 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00673
BindingDB Entry DOI: 10.7270/Q22R3VZV
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50504141
PNG
(CHEMBL1875673)
Show SMILES CSCCC1NC(=O)N(CC(=O)Nc2ccc(Cl)c(c2)S(=O)(=O)N2CCOCC2)C1=O
Show InChI InChI=1S/C18H23ClN4O6S2/c1-30-9-4-14-17(25)23(18(26)21-14)11-16(24)20-12-2-3-13(19)15(10-12)31(27,28)22-5-7-29-8-6-22/h2-3,10,14H,4-9,11H2,1H3,(H,20,24)(H,21,26)
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Cellzome

Curated by ChEMBL


Assay Description
Displacement of Alexa Fluor 647 labelled ligand from His6-tagged BRD4 BD1 (1 to 477 residues)/BD2 Y390A mutant (unknown origin) after 30 mins by TR-F...


J Med Chem 62: 7506-7525 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00673
BindingDB Entry DOI: 10.7270/Q22R3VZV
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50504142
PNG
(CHEMBL1608898)
Show SMILES CN(C)S(=O)(=O)c1cc(NC(=O)CN2C(=O)NC3(CCCc4ccccc34)C2=O)ccc1Cl
Show InChI InChI=1S/C22H23ClN4O5S/c1-26(2)33(31,32)18-12-15(9-10-17(18)23)24-19(28)13-27-20(29)22(25-21(27)30)11-5-7-14-6-3-4-8-16(14)22/h3-4,6,8-10,12H,5,7,11,13H2,1-2H3,(H,24,28)(H,25,30)
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Cellzome

Curated by ChEMBL


Assay Description
Displacement of Alexa Fluor 647 labelled ligand from His6-tagged BRD4 BD1 (1 to 477 residues)/BD2 Y390A mutant (unknown origin) after 30 mins by TR-F...


J Med Chem 62: 7506-7525 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00673
BindingDB Entry DOI: 10.7270/Q22R3VZV
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50504153
PNG
(CHEMBL4568748)
Show SMILES CC1(NC(=O)N(CC(=O)Nc2ccc(c(c2)S(=O)(=O)N2CCCCC2)C(F)(F)F)C1=O)C1CC1
Show InChI InChI=1S/C21H25F3N4O5S/c1-20(13-5-6-13)18(30)28(19(31)26-20)12-17(29)25-14-7-8-15(21(22,23)24)16(11-14)34(32,33)27-9-3-2-4-10-27/h7-8,11,13H,2-6,9-10,12H2,1H3,(H,25,29)(H,26,31)
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Cellzome

Curated by ChEMBL


Assay Description
Displacement of Alexa Fluor 647 labelled ligand from His6-tagged BRD4 BD1 (1 to 477 residues)/BD2 Y390A mutant (unknown origin) after 30 mins by TR-F...


J Med Chem 62: 7506-7525 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00673
BindingDB Entry DOI: 10.7270/Q22R3VZV
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50504154
PNG
(CHEMBL1314546)
Show SMILES COc1ccc(NC(=O)CN2C(=O)NC(C)(C3CC3)C2=O)cc1S(=O)(=O)N1CCCCC1
Show InChI InChI=1S/C21H28N4O6S/c1-21(14-6-7-14)19(27)25(20(28)23-21)13-18(26)22-15-8-9-16(31-2)17(12-15)32(29,30)24-10-4-3-5-11-24/h8-9,12,14H,3-7,10-11,13H2,1-2H3,(H,22,26)(H,23,28)
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Cellzome

Curated by ChEMBL


Assay Description
Displacement of Alexa Fluor 647 labelled ligand from His6-tagged BRD4 BD1 (1 to 477 residues)/BD2 Y390A mutant (unknown origin) after 30 mins by TR-F...


J Med Chem 62: 7506-7525 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00673
BindingDB Entry DOI: 10.7270/Q22R3VZV
More data for this
Ligand-Target Pair
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