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PubMed code 26155854

Compile data set for download or QSAR
Found 125 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))
BDBM50096314
PNG
(CHEMBL3586722)
Show SMILES Cc1cc2c(cnc(NC3CCNCC3)c2[nH]c1=O)-c1cccc2[nH]ncc12
Show InChI InChI=1S/C23H15ClFN3O3/c1-31-23(30)19-7-4-5-15(26-19)10-12-21-27-18-11-9-14(25)13-16(18)22(29)28(21)20-8-3-2-6-17(20)24/h2-13H,1H3/b12-10+
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n/an/a 126n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of I-BET762 from 6His-Thr-BRD4 (1 to 477) BD1 (unknown origin) harboring BD2 Y390A mutant after 30 mins by TR-FRET analysis


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50096320
PNG
(CHEMBL3586721)
Show SMILES Cc1cc2c(cnc(NC3CCNCC3)c2[nH]c1=O)-c1cccc(O)c1
Show InChI InChI=1S/C25H22ClFN4O/c1-16(2)28-15-19-7-5-6-18(29-19)11-13-24-30-22-12-10-17(27)14-20(22)25(32)31(24)23-9-4-3-8-21(23)26/h3-14,16,28H,15H2,1-2H3/b13-11+
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n/an/a 631n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of I-BET762 from 6His-Thr-BRD4 (1 to 477) BD1 (unknown origin) harboring BD2 Y390A mutant after 30 mins by TR-FRET analysis


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50096281
PNG
(CHEMBL3585460)
Show SMILES Cc1cc2c(cnc(NC3CCNCC3)c2[nH]c1=O)-c1cncc(NS(C)(=O)=O)c1
Show InChI InChI=1S/C22H16N4O6S/c27-18(25-33(31,32)13-6-2-1-3-7-13)9-12-5-4-8-14-15(12)10-17-19(14)24-21(28)20-23-16(22(29)30)11-26(17)20/h1-8,11H,9-10H2,(H,24,28)(H,25,27)(H,29,30)
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n/an/a 794n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of I-BET762 from 6His-Thr-BRD4 (1 to 477) BD1 (unknown origin) harboring BD2 Y390A mutant after 30 mins by TR-FRET analysis


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50096317
PNG
(CHEMBL3586724)
Show SMILES Cc1cc2c(cnc(NC3CCNCC3)c2[nH]c1=O)-c1cn[nH]c1
Show InChI InChI=1S/C27H27ClFN5O/c1-32(2)15-16-33(3)18-21-8-6-7-20(30-21)12-14-26-31-24-13-11-19(29)17-22(24)27(35)34(26)25-10-5-4-9-23(25)28/h4-14,17H,15-16,18H2,1-3H3/b14-12+
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n/an/a 794n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of I-BET762 from 6His-Thr-BRD4 (1 to 477) BD1 (unknown origin) harboring BD2 Y390A mutant after 30 mins by TR-FRET analysis


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50096318
PNG
(CHEMBL3586719)
Show SMILES Cc1cc2c(cnc(NC3CCNCC3)c2[nH]c1=O)-c1ccccc1
Show InChI InChI=1S/C22H15Cl2N3O/c1-14-6-2-3-8-19(14)27-20(10-9-16-7-4-5-11-25-16)26-21-17(22(27)28)12-15(23)13-18(21)24/h2-13H,1H3/b10-9+
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n/an/a 794n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of I-BET762 from 6His-Thr-BRD4 (1 to 477) BD1 (unknown origin) harboring BD2 Y390A mutant after 30 mins by TR-FRET analysis


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50096280
PNG
(CHEMBL3585459)
Show SMILES Cc1cc2c(cnc(NC3CCNCC3)c2[nH]c1=O)-c1cncc(N)c1
Show InChI InChI=1S/C16H11N7O3/c24-15-14-17-10(16(25)26)6-23(14)11-5-9-7(4-12-19-21-22-20-12)2-1-3-8(9)13(11)18-15/h1-3,6H,4-5H2,(H,18,24)(H,25,26)(H,19,20,21,22)
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n/an/a 794n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of histone H4 peptide from FLAG-6His-Tev-ATAD2 (981 to 1121) (unknown origin) expressed in Escherichia coli BL21 (DE3) after 30 mins by ...


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50096299
PNG
(CHEMBL3585451)
Show SMILES Cc1ccc(cn1)-c1cnc(NC2CCNCC2)c2[nH]c(=O)c(C)cc12
Show InChI InChI=1S/C20H23N5O/c1-12-9-16-17(14-4-3-13(2)22-10-14)11-23-19(18(16)25-20(12)26)24-15-5-7-21-8-6-15/h3-4,9-11,15,21H,5-8H2,1-2H3,(H,23,24)(H,25,26)
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n/an/a 1.00E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of I-BET762 from 6His-Thr-BRD4 (1 to 477) BD1 (unknown origin) harboring BD2 Y390A mutant after 30 mins by TR-FRET analysis


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50096321
PNG
(CHEMBL3586720)
Show SMILES CC(=O)N1CCc2cc(ccc12)-c1cnc(NC2CCNCC2)c2[nH]c(=O)c(C)cc12
Show InChI InChI=1S/C22H15ClFN3O2/c1-29-21-8-4-5-15(25-21)10-12-20-26-18-11-9-14(24)13-16(18)22(28)27(20)19-7-3-2-6-17(19)23/h2-13H,1H3/b12-10+
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n/an/a 1.00E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of I-BET762 from 6His-Thr-BRD4 (1 to 477) BD1 (unknown origin) harboring BD2 Y390A mutant after 30 mins by TR-FRET analysis


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50096282
PNG
(CHEMBL3585455)
Show SMILES COc1cncc(c1)-c1cnc(NC2CCNCC2)c2[nH]c(=O)c(C)cc12
Show InChI InChI=1S/C15H12N3O6P/c19-12(20)4-7-2-1-3-8-9(7)5-10-13(8)17-15(21)14-16-11(6-18(10)14)25(22,23)24/h1-3,6H,4-5H2,(H,17,21)(H,19,20)(H2,22,23,24)
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n/an/a 1.26E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of I-BET762 from 6His-Thr-BRD4 (1 to 477) BD1 (unknown origin) harboring BD2 Y390A mutant after 30 mins by TR-FRET analysis


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50096312
PNG
(CHEMBL3586723)
Show SMILES Cc1cc2c(cnc(NC3CCNCC3)c2[nH]c1=O)-c1cccnc1
Show InChI InChI=1S/C21H13Cl2N3O/c22-16-8-5-9-17(23)20(16)26-19(12-11-14-6-3-4-13-24-14)25-18-10-2-1-7-15(18)21(26)27/h1-13H/b12-11+
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n/an/a 1.26E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of histone H4 peptide from FLAG-6His-Tev-ATAD2 (981 to 1121) (unknown origin) expressed in Escherichia coli BL21 (DE3) after 30 mins by ...


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50096301
PNG
(CHEMBL3585453)
Show SMILES Cc1ccncc1-c1cnc(NC2CCNCC2)c2[nH]c(=O)c(C)cc12
Show InChI InChI=1S/C20H23N5O/c1-12-3-6-22-10-16(12)17-11-23-19(24-14-4-7-21-8-5-14)18-15(17)9-13(2)20(26)25-18/h3,6,9-11,14,21H,4-5,7-8H2,1-2H3,(H,23,24)(H,25,26)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of histone H4 peptide from FLAG-6His-Tev-ATAD2 (981 to 1121) (unknown origin) expressed in Escherichia coli BL21 (DE3) after 30 mins by ...


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50096300
PNG
(CHEMBL3585452)
Show SMILES Cc1cncc(c1)-c1cnc(NC2CCNCC2)c2[nH]c(=O)c(C)cc12
Show InChI InChI=1S/C20H23N5O/c1-12-7-14(10-22-9-12)17-11-23-19(24-15-3-5-21-6-4-15)18-16(17)8-13(2)20(26)25-18/h7-11,15,21H,3-6H2,1-2H3,(H,23,24)(H,25,26)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of histone H4 peptide from FLAG-6His-Tev-ATAD2 (981 to 1121) (unknown origin) expressed in Escherichia coli BL21 (DE3) after 30 mins by ...


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50096296
PNG
(CHEMBL3585457)
Show SMILES Cc1cc2c(cnc(NC3CCNCC3)c2[nH]c1=O)-c1cncc(c1)C(N)=O
Show InChI InChI=1S/C20H22N6O2/c1-11-6-15-16(12-7-13(18(21)27)9-23-8-12)10-24-19(17(15)26-20(11)28)25-14-2-4-22-5-3-14/h6-10,14,22H,2-5H2,1H3,(H2,21,27)(H,24,25)(H,26,28)
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n/an/a 1.26E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of histone H4 peptide from FLAG-6His-Tev-ATAD2 (981 to 1121) (unknown origin) expressed in Escherichia coli BL21 (DE3) after 30 mins by ...


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50096302
PNG
(CHEMBL3585454)
Show SMILES COc1ccc(cn1)-c1cnc(NC2CCNCC2)c2[nH]c(=O)c(C)cc12
Show InChI InChI=1S/C20H23N5O2/c1-12-9-15-16(13-3-4-17(27-2)22-10-13)11-23-19(18(15)25-20(12)26)24-14-5-7-21-8-6-14/h3-4,9-11,14,21H,5-8H2,1-2H3,(H,23,24)(H,25,26)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of I-BET762 from 6His-Thr-BRD4 (1 to 477) BD1 (unknown origin) harboring BD2 Y390A mutant after 30 mins by TR-FRET analysis


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50096282
PNG
(CHEMBL3585455)
Show SMILES COc1cncc(c1)-c1cnc(NC2CCNCC2)c2[nH]c(=O)c(C)cc12
Show InChI InChI=1S/C15H12N3O6P/c19-12(20)4-7-2-1-3-8-9(7)5-10-13(8)17-15(21)14-16-11(6-18(10)14)25(22,23)24/h1-3,6H,4-5H2,(H,17,21)(H,19,20)(H2,22,23,24)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of histone H4 peptide from FLAG-6His-Tev-ATAD2 (981 to 1121) (unknown origin) expressed in Escherichia coli BL21 (DE3) after 30 mins by ...


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50096281
PNG
(CHEMBL3585460)
Show SMILES Cc1cc2c(cnc(NC3CCNCC3)c2[nH]c1=O)-c1cncc(NS(C)(=O)=O)c1
Show InChI InChI=1S/C22H16N4O6S/c27-18(25-33(31,32)13-6-2-1-3-7-13)9-12-5-4-8-14-15(12)10-17-19(14)24-21(28)20-23-16(22(29)30)11-26(17)20/h1-8,11H,9-10H2,(H,24,28)(H,25,27)(H,29,30)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of histone H4 peptide from FLAG-6His-Tev-ATAD2 (981 to 1121) (unknown origin) expressed in Escherichia coli BL21 (DE3) after 30 mins by ...


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50096314
PNG
(CHEMBL3586722)
Show SMILES Cc1cc2c(cnc(NC3CCNCC3)c2[nH]c1=O)-c1cccc2[nH]ncc12
Show InChI InChI=1S/C23H15ClFN3O3/c1-31-23(30)19-7-4-5-15(26-19)10-12-21-27-18-11-9-14(25)13-16(18)22(29)28(21)20-8-3-2-6-17(20)24/h2-13H,1H3/b12-10+
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of histone H4 peptide from FLAG-6His-Tev-ATAD2 (981 to 1121) (unknown origin) expressed in Escherichia coli BL21 (DE3) after 30 mins by ...


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50096308
PNG
(CHEMBL3585461)
Show SMILES Cc1cc2c(cnc(NC3CCNCC3)c2[nH]c1=O)-c1cncc(COC(N)=O)c1
Show InChI InChI=1S/C22H13ClFN3O2/c23-18-6-1-2-7-20(18)27-21(11-9-15-4-3-5-16(13-28)25-15)26-19-10-8-14(24)12-17(19)22(27)29/h1-13H/b11-9+
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n/an/a 1.26E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of I-BET762 from 6His-Thr-BRD4 (1 to 477) BD1 (unknown origin) harboring BD2 Y390A mutant after 30 mins by TR-FRET analysis


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50096313
PNG
(CHEMBL3585449)
Show SMILES Cc1cc2c(cnc(NC3CCNCC3)c2[nH]c1=O)-c1cc[nH]n1
Show InChI InChI=1S/C23H17ClFN3O2/c1-30-14-17-6-4-5-16(26-17)10-12-22-27-20-11-9-15(25)13-18(20)23(29)28(22)21-8-3-2-7-19(21)24/h2-13H,14H2,1H3/b12-10+
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of I-BET762 from 6His-Thr-BRD4 (1 to 477) BD1 (unknown origin) harboring BD2 Y390A mutant after 30 mins by TR-FRET analysis


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50096308
PNG
(CHEMBL3585461)
Show SMILES Cc1cc2c(cnc(NC3CCNCC3)c2[nH]c1=O)-c1cncc(COC(N)=O)c1
Show InChI InChI=1S/C22H13ClFN3O2/c23-18-6-1-2-7-20(18)27-21(11-9-15-4-3-5-16(13-28)25-15)26-19-10-8-14(24)12-17(19)22(27)29/h1-13H/b11-9+
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of histone H4 peptide from FLAG-6His-Tev-ATAD2 (981 to 1121) (unknown origin) expressed in Escherichia coli BL21 (DE3) after 30 mins by ...


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50096298
PNG
(CHEMBL3585458)
Show SMILES Cc1cncc(c1C)-c1cnc(NC2CCNCC2)c2[nH]c(=O)c(C)cc12
Show InChI InChI=1S/C21H25N5O/c1-12-8-16-18(17-10-23-9-13(2)14(17)3)11-24-20(19(16)26-21(12)27)25-15-4-6-22-7-5-15/h8-11,15,22H,4-7H2,1-3H3,(H,24,25)(H,26,27)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of histone H4 peptide from FLAG-6His-Tev-ATAD2 (981 to 1121) (unknown origin) expressed in Escherichia coli BL21 (DE3) after 30 mins by ...


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50096312
PNG
(CHEMBL3586723)
Show SMILES Cc1cc2c(cnc(NC3CCNCC3)c2[nH]c1=O)-c1cccnc1
Show InChI InChI=1S/C21H13Cl2N3O/c22-16-8-5-9-17(23)20(16)26-19(12-11-14-6-3-4-13-24-14)25-18-10-2-1-7-15(18)21(26)27/h1-13H/b12-11+
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of I-BET762 from 6His-Thr-BRD4 (1 to 477) BD1 (unknown origin) harboring BD2 Y390A mutant after 30 mins by TR-FRET analysis


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50096283
PNG
(CHEMBL3585456)
Show SMILES Cc1cc2c(cnc(NC3CCNCC3)c2[nH]c1=O)-c1cncc(Cl)c1
Show InChI InChI=1S/C18H15N3O5/c22-14(23)5-4-10-8-21-13-7-12-9(6-15(24)25)2-1-3-11(12)16(13)20-18(26)17(21)19-10/h1-3,8H,4-7H2,(H,20,26)(H,22,23)(H,24,25)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of histone H4 peptide from FLAG-6His-Tev-ATAD2 (981 to 1121) (unknown origin) expressed in Escherichia coli BL21 (DE3) after 30 mins by ...


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50096280
PNG
(CHEMBL3585459)
Show SMILES Cc1cc2c(cnc(NC3CCNCC3)c2[nH]c1=O)-c1cncc(N)c1
Show InChI InChI=1S/C16H11N7O3/c24-15-14-17-10(16(25)26)6-23(14)11-5-9-7(4-12-19-21-22-20-12)2-1-3-8(9)13(11)18-15/h1-3,6H,4-5H2,(H,18,24)(H,25,26)(H,19,20,21,22)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of I-BET762 from 6His-Thr-BRD4 (1 to 477) BD1 (unknown origin) harboring BD2 Y390A mutant after 30 mins by TR-FRET analysis


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50096300
PNG
(CHEMBL3585452)
Show SMILES Cc1cncc(c1)-c1cnc(NC2CCNCC2)c2[nH]c(=O)c(C)cc12
Show InChI InChI=1S/C20H23N5O/c1-12-7-14(10-22-9-12)17-11-23-19(24-15-3-5-21-6-4-15)18-16(17)8-13(2)20(26)25-18/h7-11,15,21H,3-6H2,1-2H3,(H,23,24)(H,25,26)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of I-BET762 from 6His-Thr-BRD4 (1 to 477) BD1 (unknown origin) harboring BD2 Y390A mutant after 30 mins by TR-FRET analysis


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50096320
PNG
(CHEMBL3586721)
Show SMILES Cc1cc2c(cnc(NC3CCNCC3)c2[nH]c1=O)-c1cccc(O)c1
Show InChI InChI=1S/C25H22ClFN4O/c1-16(2)28-15-19-7-5-6-18(29-19)11-13-24-30-22-12-10-17(27)14-20(22)25(32)31(24)23-9-4-3-8-21(23)26/h3-14,16,28H,15H2,1-2H3/b13-11+
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of histone H4 peptide from FLAG-6His-Tev-ATAD2 (981 to 1121) (unknown origin) expressed in Escherichia coli BL21 (DE3) after 30 mins by ...


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50096301
PNG
(CHEMBL3585453)
Show SMILES Cc1ccncc1-c1cnc(NC2CCNCC2)c2[nH]c(=O)c(C)cc12
Show InChI InChI=1S/C20H23N5O/c1-12-3-6-22-10-16(12)17-11-23-19(24-14-4-7-21-8-5-14)18-15(17)9-13(2)20(26)25-18/h3,6,9-11,14,21H,4-5,7-8H2,1-2H3,(H,23,24)(H,25,26)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of I-BET762 from 6His-Thr-BRD4 (1 to 477) BD1 (unknown origin) harboring BD2 Y390A mutant after 30 mins by TR-FRET analysis


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50093460
PNG
(CHEMBL3586713)
Show SMILES CN1CCC(CC1)Nc1nccc2cc(C)c(=O)[nH]c12
Show InChI InChI=1S/C26H30N6O5/c33-14-19-21(35)22(36)25(37-19)32-15-29-20-23(27-12-10-17-6-8-18(34)9-7-17)30-26(31-24(20)32)28-13-11-16-4-2-1-3-5-16/h1-9,15,19,21-22,25,33-36H,10-14H2,(H2,27,28,30,31)/t19?,21-,22-,25?/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of I-BET762 from 6His-Thr-BRD4 (1 to 477) BD1 (unknown origin) harboring BD2 Y390A mutant after 30 mins by TR-FRET analysis


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50096315
PNG
(CHEMBL3586725)
Show SMILES Cc1cc2c(cnc(NC3CCNCC3)c2[nH]c1=O)-c1ccncc1
Show InChI InChI=1S/C23H19N3O/c1-16-10-12-20-19(15-16)23(27)26(21-9-4-3-7-17(21)2)22(25-20)13-11-18-8-5-6-14-24-18/h3-15H,1-2H3/b13-11+
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of I-BET762 from 6His-Thr-BRD4 (1 to 477) BD1 (unknown origin) harboring BD2 Y390A mutant after 30 mins by TR-FRET analysis


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50096311
PNG
(CHEMBL3586717)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)Nc1nccc3cc(C)c(=O)[nH]c13)N2C |r|
Show InChI InChI=1S/C21H15N3O/c25-21-18-11-4-5-12-19(18)23-20(14-13-16-8-6-7-15-22-16)24(21)17-9-2-1-3-10-17/h1-15H/b14-13+
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of I-BET762 from 6His-Thr-BRD4 (1 to 477) BD1 (unknown origin) harboring BD2 Y390A mutant after 30 mins by TR-FRET analysis


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50096321
PNG
(CHEMBL3586720)
Show SMILES CC(=O)N1CCc2cc(ccc12)-c1cnc(NC2CCNCC2)c2[nH]c(=O)c(C)cc12
Show InChI InChI=1S/C22H15ClFN3O2/c1-29-21-8-4-5-15(25-21)10-12-20-26-18-11-9-14(24)13-16(18)22(28)27(20)19-7-3-2-6-17(19)23/h2-13H,1H3/b12-10+
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of histone H4 peptide from FLAG-6His-Tev-ATAD2 (981 to 1121) (unknown origin) expressed in Escherichia coli BL21 (DE3) after 30 mins by ...


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50096317
PNG
(CHEMBL3586724)
Show SMILES Cc1cc2c(cnc(NC3CCNCC3)c2[nH]c1=O)-c1cn[nH]c1
Show InChI InChI=1S/C27H27ClFN5O/c1-32(2)15-16-33(3)18-21-8-6-7-20(30-21)12-14-26-31-24-13-11-19(29)17-22(24)27(35)34(26)25-10-5-4-9-23(25)28/h4-14,17H,15-16,18H2,1-3H3/b14-12+
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of histone H4 peptide from FLAG-6His-Tev-ATAD2 (981 to 1121) (unknown origin) expressed in Escherichia coli BL21 (DE3) after 30 mins by ...


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50096309
PNG
(CHEMBL3586716)
Show SMILES COCCCN1CCC(CC1)Nc1nccc2cc(C)c(=O)[nH]c12
Show InChI InChI=1S/C22H14ClF2N3O/c23-18-6-1-2-7-20(18)28-21(11-9-15-4-3-5-16(13-24)26-15)27-19-10-8-14(25)12-17(19)22(28)29/h1-12H,13H2/b11-9+
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of I-BET762 from 6His-Thr-BRD4 (1 to 477) BD1 (unknown origin) harboring BD2 Y390A mutant after 30 mins by TR-FRET analysis


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50096296
PNG
(CHEMBL3585457)
Show SMILES Cc1cc2c(cnc(NC3CCNCC3)c2[nH]c1=O)-c1cncc(c1)C(N)=O
Show InChI InChI=1S/C20H22N6O2/c1-11-6-15-16(12-7-13(18(21)27)9-23-8-12)10-24-19(17(15)26-20(11)28)25-14-2-4-22-5-3-14/h6-10,14,22H,2-5H2,1H3,(H2,21,27)(H,24,25)(H,26,28)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of I-BET762 from 6His-Thr-BRD4 (1 to 477) BD1 (unknown origin) harboring BD2 Y390A mutant after 30 mins by TR-FRET analysis


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50096282
PNG
(CHEMBL3585455)
Show SMILES COc1cncc(c1)-c1cnc(NC2CCNCC2)c2[nH]c(=O)c(C)cc12
Show InChI InChI=1S/C15H12N3O6P/c19-12(20)4-7-2-1-3-8-9(7)5-10-13(8)17-15(21)14-16-11(6-18(10)14)25(22,23)24/h1-3,6H,4-5H2,(H,17,21)(H,19,20)(H2,22,23,24)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to 6-His-Thr BRD2 (1 to 473) BD1 (unknown origin) harboring BD2 Y386A mutant


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50096319
PNG
(CHEMBL3586718)
Show SMILES [H][C@]12CC[C@]([H])(C[C@H](C1)Nc1nccc3cc(C)c(=O)[nH]c13)N2C |r|
Show InChI InChI=1S/C23H19N3O/c1-16-8-7-9-17(2)22(16)26-21(14-13-18-10-5-6-15-24-18)25-20-12-4-3-11-19(20)23(26)27/h3-15H,1-2H3/b14-13+
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of I-BET762 from 6His-Thr-BRD4 (1 to 477) BD1 (unknown origin) harboring BD2 Y390A mutant after 30 mins by TR-FRET analysis


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50096299
PNG
(CHEMBL3585451)
Show SMILES Cc1ccc(cn1)-c1cnc(NC2CCNCC2)c2[nH]c(=O)c(C)cc12
Show InChI InChI=1S/C20H23N5O/c1-12-9-16-17(14-4-3-13(2)22-10-14)11-23-19(18(16)25-20(12)26)24-15-5-7-21-8-6-15/h3-4,9-11,15,21H,5-8H2,1-2H3,(H,23,24)(H,25,26)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of histone H4 peptide from FLAG-6His-Tev-ATAD2 (981 to 1121) (unknown origin) expressed in Escherichia coli BL21 (DE3) after 30 mins by ...


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50096282
PNG
(CHEMBL3585455)
Show SMILES COc1cncc(c1)-c1cnc(NC2CCNCC2)c2[nH]c(=O)c(C)cc12
Show InChI InChI=1S/C15H12N3O6P/c19-12(20)4-7-2-1-3-8-9(7)5-10-13(8)17-15(21)14-16-11(6-18(10)14)25(22,23)24/h1-3,6H,4-5H2,(H,17,21)(H,19,20)(H2,22,23,24)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of ATAD2 in human PBMC assessed as inhibition of LPS-stimulated IL-6 release after 18 to 24 hrs


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50096307
PNG
(CHEMBL3585462)
Show SMILES Cc1cc2c(cnc(NC3CCNCC3)c2[nH]c1=O)-c1cncnc1
Show InChI InChI=1S/C21H14FN3O/c22-17-9-2-4-11-19(17)25-20(13-12-15-7-5-6-14-23-15)24-18-10-3-1-8-16(18)21(25)26/h1-14H/b13-12+
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of histone H4 peptide from FLAG-6His-Tev-ATAD2 (981 to 1121) (unknown origin) expressed in Escherichia coli BL21 (DE3) after 30 mins by ...


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50096300
PNG
(CHEMBL3585452)
Show SMILES Cc1cncc(c1)-c1cnc(NC2CCNCC2)c2[nH]c(=O)c(C)cc12
Show InChI InChI=1S/C20H23N5O/c1-12-7-14(10-22-9-12)17-11-23-19(24-15-3-5-21-6-4-15)18-16(17)8-13(2)20(26)25-18/h7-11,15,21H,3-6H2,1-2H3,(H,23,24)(H,25,26)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of ATAD2 in human PBMC assessed as inhibition of LPS-stimulated IL-6 release after 18 to 24 hrs


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50093447
PNG
(CHEMBL3586700)
Show SMILES Cc1cc2ccnc(NC3CCNCC3)c2[nH]c1=O
Show InChI InChI=1S/C21H34O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h13-18,22-23H,3-12H2,1-2H3/t13?,14-,15?,16?,17?,18-,20+,21+/m1/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of I-BET762 from 6His-Thr-BRD4 (1 to 477) BD1 (unknown origin) harboring BD2 Y390A mutant after 30 mins by TR-FRET analysis


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50093461
PNG
(CHEMBL3586714)
Show SMILES Cc1cc2ccnc(NC3CCN(CC3)C3CC3)c2[nH]c1=O
Show InChI InChI=1S/C17H19ClN6O4/c18-9-4-2-1-3-8(9)5-20-17-22-14(19)11-15(23-17)24(7-21-11)16-13(27)12(26)10(6-25)28-16/h1-4,7,10,12-13,16,25-27H,5-6H2,(H3,19,20,22,23)/t10?,12-,13-,16?/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of histone H4 peptide from FLAG-6His-Tev-ATAD2 (981 to 1121) (unknown origin) expressed in Escherichia coli BL21 (DE3) after 30 mins by ...


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50096302
PNG
(CHEMBL3585454)
Show SMILES COc1ccc(cn1)-c1cnc(NC2CCNCC2)c2[nH]c(=O)c(C)cc12
Show InChI InChI=1S/C20H23N5O2/c1-12-9-15-16(13-3-4-17(27-2)22-10-13)11-23-19(18(15)25-20(12)26)24-14-5-7-21-8-6-14/h3-4,9-11,14,21H,5-8H2,1-2H3,(H,23,24)(H,25,26)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of histone H4 peptide from FLAG-6His-Tev-ATAD2 (981 to 1121) (unknown origin) expressed in Escherichia coli BL21 (DE3) after 30 mins by ...


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50096322
PNG
(CHEMBL3586726)
Show SMILES Cc1cc2c(cnc(NC3CCNCC3)c2[nH]c1=O)-c1ccccn1
Show InChI InChI=1S/C21H13ClFN3O/c22-17-6-1-2-7-19(17)26-20(11-9-15-5-3-4-12-24-15)25-18-10-8-14(23)13-16(18)21(26)27/h1-13H/b11-9+
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of I-BET762 from 6His-Thr-BRD4 (1 to 477) BD1 (unknown origin) harboring BD2 Y390A mutant after 30 mins by TR-FRET analysis


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50093465
PNG
(CHEMBL3586692)
Show SMILES Cc1cc2cccc(NCCCO)c2[nH]c1=O
Show InChI InChI=1S/C19H24N6O4/c1-10(11-5-3-2-4-6-11)7-21-19-23-16(20)13-17(24-19)25(9-22-13)18-15(28)14(27)12(8-26)29-18/h2-6,9-10,12,14-15,18,26-28H,7-8H2,1H3,(H3,20,21,23,24)/t10?,12?,14-,15-,18?/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of I-BET762 from 6His-Thr-BRD4 (1 to 477) BD1 (unknown origin) harboring BD2 Y390A mutant after 30 mins by TR-FRET analysis


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50093461
PNG
(CHEMBL3586714)
Show SMILES Cc1cc2ccnc(NC3CCN(CC3)C3CC3)c2[nH]c1=O
Show InChI InChI=1S/C17H19ClN6O4/c18-9-4-2-1-3-8(9)5-20-17-22-14(19)11-15(23-17)24(7-21-11)16-13(27)12(26)10(6-25)28-16/h1-4,7,10,12-13,16,25-27H,5-6H2,(H3,19,20,22,23)/t10?,12-,13-,16?/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of I-BET762 from 6His-Thr-BRD4 (1 to 477) BD1 (unknown origin) harboring BD2 Y390A mutant after 30 mins by TR-FRET analysis


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50093459
PNG
(CHEMBL3586712)
Show SMILES Cc1cc2ccnc(NCC3CCCNC3)c2[nH]c1=O
Show InChI InChI=1S/C21H22N6O4/c22-21-25-18(23-8-12-6-3-5-11-4-1-2-7-13(11)12)15-19(26-21)27(10-24-15)20-17(30)16(29)14(9-28)31-20/h1-7,10,14,16-17,20,28-30H,8-9H2,(H3,22,23,25,26)/t14?,16-,17-,20?/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of I-BET762 from 6His-Thr-BRD4 (1 to 477) BD1 (unknown origin) harboring BD2 Y390A mutant after 30 mins by TR-FRET analysis


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50096300
PNG
(CHEMBL3585452)
Show SMILES Cc1cncc(c1)-c1cnc(NC2CCNCC2)c2[nH]c(=O)c(C)cc12
Show InChI InChI=1S/C20H23N5O/c1-12-7-14(10-22-9-12)17-11-23-19(24-15-3-5-21-6-4-15)18-16(17)8-13(2)20(26)25-18/h7-11,15,21H,3-6H2,1-2H3,(H,23,24)(H,25,26)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to 6-His-Thr BRD2 (1 to 473) BD1 (unknown origin) harboring BD2 Y386A mutant


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50096283
PNG
(CHEMBL3585456)
Show SMILES Cc1cc2c(cnc(NC3CCNCC3)c2[nH]c1=O)-c1cncc(Cl)c1
Show InChI InChI=1S/C18H15N3O5/c22-14(23)5-4-10-8-21-13-7-12-9(6-15(24)25)2-1-3-11(12)16(13)20-18(26)17(21)19-10/h1-3,8H,4-7H2,(H,20,26)(H,22,23)(H,24,25)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of I-BET762 from 6His-Thr-BRD4 (1 to 477) BD1 (unknown origin) harboring BD2 Y390A mutant after 30 mins by TR-FRET analysis


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50096309
PNG
(CHEMBL3586716)
Show SMILES COCCCN1CCC(CC1)Nc1nccc2cc(C)c(=O)[nH]c12
Show InChI InChI=1S/C22H14ClF2N3O/c23-18-6-1-2-7-20(18)28-21(11-9-15-4-3-5-16(13-24)26-15)27-19-10-8-14(25)12-17(19)22(28)29/h1-12H,13H2/b11-9+
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of histone H4 peptide from FLAG-6His-Tev-ATAD2 (981 to 1121) (unknown origin) expressed in Escherichia coli BL21 (DE3) after 30 mins by ...


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
More data for this
Ligand-Target Pair
Bromodomain testis-specific protein


(Homo sapiens (Human))
BDBM50096282
PNG
(CHEMBL3585455)
Show SMILES COc1cncc(c1)-c1cnc(NC2CCNCC2)c2[nH]c(=O)c(C)cc12
Show InChI InChI=1S/C15H12N3O6P/c19-12(20)4-7-2-1-3-8-9(7)5-10-13(8)17-15(21)14-16-11(6-18(10)14)25(22,23)24/h1-3,6H,4-5H2,(H,17,21)(H,19,20)(H2,22,23,24)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to 6-His-FLAG-Tev-BRDT BD1 (1 to 397) (unknown origin) harboring BD2 Y309A mutant


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50093446
PNG
(CHEMBL3586699)
Show SMILES Cc1cc2cccc(NC3CCNCC3)c2[nH]c1=O
Show InChI InChI=1S/C19H30O2/c1-18-7-6-16-15(17(18)10-14(21)11-18)4-3-12-9-13(20)5-8-19(12,16)2/h12-13,15-17,20H,3-11H2,1-2H3/t12-,13?,15+,16-,17-,18+,19-/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of I-BET762 from 6His-Thr-BRD4 (1 to 477) BD1 (unknown origin) harboring BD2 Y390A mutant after 30 mins by TR-FRET analysis


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50093448
PNG
(CHEMBL3586701)
Show SMILES Cc1cc2cccc(N[C@@H]3CCNC3)c2[nH]c1=O |r|
Show InChI InChI=1S/C20H34O2/c1-19-10-8-14(21)12-13(19)4-5-15-16-6-7-18(22-3)20(16,2)11-9-17(15)19/h13-18,21H,4-12H2,1-3H3/t13-,14+,15-,16-,17-,18-,19-,20-/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of I-BET762 from 6His-Thr-BRD4 (1 to 477) BD1 (unknown origin) harboring BD2 Y390A mutant after 30 mins by TR-FRET analysis


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50096316
PNG
(CHEMBL3585450)
Show SMILES Cc1cc2c(cnc(NC3CCNCC3)c2[nH]c1=O)-c1cccnc1C
Show InChI InChI=1S/C24H19ClFN3O2/c1-2-31-15-18-7-5-6-17(27-18)11-13-23-28-21-12-10-16(26)14-19(21)24(30)29(23)22-9-4-3-8-20(22)25/h3-14H,2,15H2,1H3/b13-11+
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of I-BET762 from 6His-Thr-BRD4 (1 to 477) BD1 (unknown origin) harboring BD2 Y390A mutant after 30 mins by TR-FRET analysis


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50096282
PNG
(CHEMBL3585455)
Show SMILES COc1cncc(c1)-c1cnc(NC2CCNCC2)c2[nH]c(=O)c(C)cc12
Show InChI InChI=1S/C15H12N3O6P/c19-12(20)4-7-2-1-3-8-9(7)5-10-13(8)17-15(21)14-16-11(6-18(10)14)25(22,23)24/h1-3,6H,4-5H2,(H,17,21)(H,19,20)(H2,22,23,24)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to 6-His-Thr BRD3 (1 to 435) BD1 (unknown origin) harboring BD2 Y348A mutant


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50096310
PNG
(CHEMBL3586715)
Show SMILES COCCN1CCC(CC1)Nc1nccc2cc(C)c(=O)[nH]c12
Show InChI InChI=1S/C22H16ClFN4O/c23-18-6-1-2-7-20(18)28-21(11-9-15-4-3-5-16(13-25)26-15)27-19-10-8-14(24)12-17(19)22(28)29/h1-12H,13,25H2/b11-9+
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of I-BET762 from 6His-Thr-BRD4 (1 to 477) BD1 (unknown origin) harboring BD2 Y390A mutant after 30 mins by TR-FRET analysis


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50096298
PNG
(CHEMBL3585458)
Show SMILES Cc1cncc(c1C)-c1cnc(NC2CCNCC2)c2[nH]c(=O)c(C)cc12
Show InChI InChI=1S/C21H25N5O/c1-12-8-16-18(17-10-23-9-13(2)14(17)3)11-24-20(19(16)26-21(12)27)25-15-4-6-22-7-5-15/h8-11,15,22H,4-7H2,1-3H3,(H,24,25)(H,26,27)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of I-BET762 from 6His-Thr-BRD4 (1 to 477) BD1 (unknown origin) harboring BD2 Y390A mutant after 30 mins by TR-FRET analysis


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50093460
PNG
(CHEMBL3586713)
Show SMILES CN1CCC(CC1)Nc1nccc2cc(C)c(=O)[nH]c12
Show InChI InChI=1S/C26H30N6O5/c33-14-19-21(35)22(36)25(37-19)32-15-29-20-23(27-12-10-17-6-8-18(34)9-7-17)30-26(31-24(20)32)28-13-11-16-4-2-1-3-5-16/h1-9,15,19,21-22,25,33-36H,10-14H2,(H2,27,28,30,31)/t19?,21-,22-,25?/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of histone H4 peptide from FLAG-6His-Tev-ATAD2 (981 to 1121) (unknown origin) expressed in Escherichia coli BL21 (DE3) after 30 mins by ...


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
More data for this
Ligand-Target Pair
Bromodomain testis-specific protein


(Homo sapiens (Human))
BDBM50096300
PNG
(CHEMBL3585452)
Show SMILES Cc1cncc(c1)-c1cnc(NC2CCNCC2)c2[nH]c(=O)c(C)cc12
Show InChI InChI=1S/C20H23N5O/c1-12-7-14(10-22-9-12)17-11-23-19(24-15-3-5-21-6-4-15)18-16(17)8-13(2)20(26)25-18/h7-11,15,21H,3-6H2,1-2H3,(H,23,24)(H,25,26)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to 6-His-FLAG-Tev-BRDT BD1 (1 to 397) (unknown origin) harboring BD2 Y309A mutant


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50096300
PNG
(CHEMBL3585452)
Show SMILES Cc1cncc(c1)-c1cnc(NC2CCNCC2)c2[nH]c(=O)c(C)cc12
Show InChI InChI=1S/C20H23N5O/c1-12-7-14(10-22-9-12)17-11-23-19(24-15-3-5-21-6-4-15)18-16(17)8-13(2)20(26)25-18/h7-11,15,21H,3-6H2,1-2H3,(H,23,24)(H,25,26)
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n/an/a 7.94E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to 6-His-Thr BRD3 (1 to 435) BD1 (unknown origin) harboring BD2 Y348A mutant


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50096318
PNG
(CHEMBL3586719)
Show SMILES Cc1cc2c(cnc(NC3CCNCC3)c2[nH]c1=O)-c1ccccc1
Show InChI InChI=1S/C22H15Cl2N3O/c1-14-6-2-3-8-19(14)27-20(10-9-16-7-4-5-11-25-16)26-21-17(22(27)28)12-15(23)13-18(21)24/h2-13H,1H3/b10-9+
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of histone H4 peptide from FLAG-6His-Tev-ATAD2 (981 to 1121) (unknown origin) expressed in Escherichia coli BL21 (DE3) after 30 mins by ...


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50093470
PNG
(CHEMBL3586697)
Show SMILES CN(C)CCCNc1cccc2cc(C)c(=O)[nH]c12
Show InChI InChI=1S/C18H22N6O5/c1-28-10-5-3-2-4-9(10)6-20-18-22-15(19)12-16(23-18)24(8-21-12)17-14(27)13(26)11(7-25)29-17/h2-5,8,11,13-14,17,25-27H,6-7H2,1H3,(H3,19,20,22,23)/t11?,13-,14-,17?/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of I-BET762 from 6His-Thr-BRD4 (1 to 477) BD1 (unknown origin) harboring BD2 Y390A mutant after 30 mins by TR-FRET analysis


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50093450
PNG
(CHEMBL3586703)
Show SMILES Cc1cc2cccc(N[C@H]3CCNC3)c2[nH]c1=O |r|
Show InChI InChI=1S/C19H24N6O4/c20-16-13-17(25(10-22-13)18-15(28)14(27)12(9-26)29-18)24-19(23-16)21-8-4-7-11-5-2-1-3-6-11/h1-3,5-6,10,12,14-15,18,26-28H,4,7-9H2,(H3,20,21,23,24)/t12?,14-,15-,18?/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of I-BET762 from 6His-Thr-BRD4 (1 to 477) BD1 (unknown origin) harboring BD2 Y390A mutant after 30 mins by TR-FRET analysis


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50093457
PNG
(CHEMBL3586710)
Show SMILES Cc1cc2ccnc(N[C@H]3CCC[C@H](N)C3)c2[nH]c1=O |r|
Show InChI InChI=1S/C18H23N7O4/c19-10-3-1-9(2-4-10)5-6-21-18-23-15(20)12-16(24-18)25(8-22-12)17-14(28)13(27)11(7-26)29-17/h1-4,8,11,13-14,17,26-28H,5-7,19H2,(H3,20,21,23,24)/t11?,13-,14-,17?/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of I-BET762 from 6His-Thr-BRD4 (1 to 477) BD1 (unknown origin) harboring BD2 Y390A mutant after 30 mins by TR-FRET analysis


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50093458
PNG
(CHEMBL3586711)
Show SMILES Cc1cc2ccnc(NC[C@H]3CCNC3)c2[nH]c1=O |r|
Show InChI InChI=1S/C26H30N6O5/c33-14-19-21(35)22(36)25(37-19)32-15-29-20-23(27-12-10-16-4-2-1-3-5-16)30-26(31-24(20)32)28-13-11-17-6-8-18(34)9-7-17/h1-9,15,19,21-22,25,33-36H,10-14H2,(H2,27,28,30,31)/t19?,21-,22-,25?/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of I-BET762 from 6His-Thr-BRD4 (1 to 477) BD1 (unknown origin) harboring BD2 Y390A mutant after 30 mins by TR-FRET analysis


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50093452
PNG
(CHEMBL3586705)
Show SMILES Cc1cc2ccnc(NCCC3CCNCC3)c2[nH]c1=O
Show InChI InChI=1S/C18H21ClN6O4/c19-10-4-2-1-3-9(10)5-6-21-18-23-15(20)12-16(24-18)25(8-22-12)17-14(28)13(27)11(7-26)29-17/h1-4,8,11,13-14,17,26-28H,5-7H2,(H3,20,21,23,24)/t11?,13-,14-,17?/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of I-BET762 from 6His-Thr-BRD4 (1 to 477) BD1 (unknown origin) harboring BD2 Y390A mutant after 30 mins by TR-FRET analysis


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50096311
PNG
(CHEMBL3586717)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)Nc1nccc3cc(C)c(=O)[nH]c13)N2C |r|
Show InChI InChI=1S/C21H15N3O/c25-21-18-11-4-5-12-19(18)23-20(14-13-16-8-6-7-15-22-16)24(21)17-9-2-1-3-10-17/h1-15H/b14-13+
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n/an/a 1.26E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of histone H4 peptide from FLAG-6His-Tev-ATAD2 (981 to 1121) (unknown origin) expressed in Escherichia coli BL21 (DE3) after 30 mins by ...


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50093450
PNG
(CHEMBL3586703)
Show SMILES Cc1cc2cccc(N[C@H]3CCNC3)c2[nH]c1=O |r|
Show InChI InChI=1S/C19H24N6O4/c20-16-13-17(25(10-22-13)18-15(28)14(27)12(9-26)29-18)24-19(23-16)21-8-4-7-11-5-2-1-3-6-11/h1-3,5-6,10,12,14-15,18,26-28H,4,7-9H2,(H3,20,21,23,24)/t12?,14-,15-,18?/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of histone H4 peptide from FLAG-6His-Tev-ATAD2 (981 to 1121) (unknown origin) expressed in Escherichia coli BL21 (DE3) after 30 mins by ...


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50093447
PNG
(CHEMBL3586700)
Show SMILES Cc1cc2ccnc(NC3CCNCC3)c2[nH]c1=O
Show InChI InChI=1S/C21H34O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h13-18,22-23H,3-12H2,1-2H3/t13?,14-,15?,16?,17?,18-,20+,21+/m1/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of histone H4 peptide from FLAG-6His-Tev-ATAD2 (981 to 1121) (unknown origin) expressed in Escherichia coli BL21 (DE3) after 30 mins by ...


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50096307
PNG
(CHEMBL3585462)
Show SMILES Cc1cc2c(cnc(NC3CCNCC3)c2[nH]c1=O)-c1cncnc1
Show InChI InChI=1S/C21H14FN3O/c22-17-9-2-4-11-19(17)25-20(13-12-15-7-5-6-14-23-15)24-18-10-3-1-8-16(18)21(25)26/h1-14H/b13-12+
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n/an/a 1.58E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of I-BET762 from 6His-Thr-BRD4 (1 to 477) BD1 (unknown origin) harboring BD2 Y390A mutant after 30 mins by TR-FRET analysis


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50096313
PNG
(CHEMBL3585449)
Show SMILES Cc1cc2c(cnc(NC3CCNCC3)c2[nH]c1=O)-c1cc[nH]n1
Show InChI InChI=1S/C23H17ClFN3O2/c1-30-14-17-6-4-5-16(26-17)10-12-22-27-20-11-9-15(25)13-18(20)23(29)28(22)21-8-3-2-7-19(21)24/h2-13H,14H2,1H3/b12-10+
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of histone H4 peptide from FLAG-6His-Tev-ATAD2 (981 to 1121) (unknown origin) expressed in Escherichia coli BL21 (DE3) after 30 mins by ...


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50096310
PNG
(CHEMBL3586715)
Show SMILES COCCN1CCC(CC1)Nc1nccc2cc(C)c(=O)[nH]c12
Show InChI InChI=1S/C22H16ClFN4O/c23-18-6-1-2-7-20(18)28-21(11-9-15-4-3-5-16(13-25)26-15)27-19-10-8-14(24)12-17(19)22(28)29/h1-12H,13,25H2/b11-9+
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of histone H4 peptide from FLAG-6His-Tev-ATAD2 (981 to 1121) (unknown origin) expressed in Escherichia coli BL21 (DE3) after 30 mins by ...


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50093449
PNG
(CHEMBL3586702)
Show SMILES Cc1cc2ccnc(N[C@@H]3CCNC3)c2[nH]c1=O |r|
Show InChI InChI=1S/C20H32O2/c1-18-8-5-14(21)11-13(18)3-4-15-16(18)6-9-19(2)17(15)7-10-20(19)12-22-20/h13-17,21H,3-12H2,1-2H3/t13?,14-,15-,16+,17+,18+,19+,20-/m1/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of I-BET762 from 6His-Thr-BRD4 (1 to 477) BD1 (unknown origin) harboring BD2 Y390A mutant after 30 mins by TR-FRET analysis


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50093451
PNG
(CHEMBL3586704)
Show SMILES Cc1cc2ccnc(N[C@H]3CCNC3)c2[nH]c1=O |r|
Show InChI InChI=1S/C18H22N6O4/c1-9-2-4-10(5-3-9)6-20-18-22-15(19)12-16(23-18)24(8-21-12)17-14(27)13(26)11(7-25)28-17/h2-5,8,11,13-14,17,25-27H,6-7H2,1H3,(H3,19,20,22,23)/t11?,13-,14-,17?/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of histone H4 peptide from FLAG-6His-Tev-ATAD2 (981 to 1121) (unknown origin) expressed in Escherichia coli BL21 (DE3) after 30 mins by ...


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50096282
PNG
(CHEMBL3585455)
Show SMILES COc1cncc(c1)-c1cnc(NC2CCNCC2)c2[nH]c(=O)c(C)cc12
Show InChI InChI=1S/C15H12N3O6P/c19-12(20)4-7-2-1-3-8-9(7)5-10-13(8)17-15(21)14-16-11(6-18(10)14)25(22,23)24/h1-3,6H,4-5H2,(H,17,21)(H,19,20)(H2,22,23,24)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of I-BET762 from BRD4 (1 to 477) BD2 (unknown origin) harboring BD1 Y97A mutant after 30 mins by TR-FRET analysis


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50093456
PNG
(CHEMBL3586709)
Show SMILES Cc1cc2ccnc(N[C@@H]3CCCNC3)c2[nH]c1=O |r|
Show InChI InChI=1S/C18H21ClN6O4/c19-10-4-2-1-3-9(10)5-6-21-15-12-16(24-18(20)23-15)25(8-22-12)17-14(28)13(27)11(7-26)29-17/h1-4,8,11,13-14,17,26-28H,5-7H2,(H3,20,21,23,24)/t11?,13-,14-,17?/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of I-BET762 from 6His-Thr-BRD4 (1 to 477) BD1 (unknown origin) harboring BD2 Y390A mutant after 30 mins by TR-FRET analysis


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50096300
PNG
(CHEMBL3585452)
Show SMILES Cc1cncc(c1)-c1cnc(NC2CCNCC2)c2[nH]c(=O)c(C)cc12
Show InChI InChI=1S/C20H23N5O/c1-12-7-14(10-22-9-12)17-11-23-19(24-15-3-5-21-6-4-15)18-16(17)8-13(2)20(26)25-18/h7-11,15,21H,3-6H2,1-2H3,(H,23,24)(H,25,26)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of I-BET762 from BRD4 (1 to 477) BD2 (unknown origin) harboring BD1 Y97A mutant after 30 mins by TR-FRET analysis


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50096282
PNG
(CHEMBL3585455)
Show SMILES COc1cncc(c1)-c1cnc(NC2CCNCC2)c2[nH]c(=O)c(C)cc12
Show InChI InChI=1S/C15H12N3O6P/c19-12(20)4-7-2-1-3-8-9(7)5-10-13(8)17-15(21)14-16-11(6-18(10)14)25(22,23)24/h1-3,6H,4-5H2,(H,17,21)(H,19,20)(H2,22,23,24)
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n/an/a 2.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to BRD3 6-His-Thr BRD3 (1 to 435) BD2 (unknown origin) harboring BD1 Y37A mutant


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50096282
PNG
(CHEMBL3585455)
Show SMILES COc1cncc(c1)-c1cnc(NC2CCNCC2)c2[nH]c(=O)c(C)cc12
Show InChI InChI=1S/C15H12N3O6P/c19-12(20)4-7-2-1-3-8-9(7)5-10-13(8)17-15(21)14-16-11(6-18(10)14)25(22,23)24/h1-3,6H,4-5H2,(H,17,21)(H,19,20)(H2,22,23,24)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to 6-His-Thr BRD2 (1 to 473) BD2 (unknown origin) harboring BD1 Y113A mutant


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50096315
PNG
(CHEMBL3586725)
Show SMILES Cc1cc2c(cnc(NC3CCNCC3)c2[nH]c1=O)-c1ccncc1
Show InChI InChI=1S/C23H19N3O/c1-16-10-12-20-19(15-16)23(27)26(21-9-4-3-7-17(21)2)22(25-20)13-11-18-8-5-6-14-24-18/h3-15H,1-2H3/b13-11+
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of histone H4 peptide from FLAG-6His-Tev-ATAD2 (981 to 1121) (unknown origin) expressed in Escherichia coli BL21 (DE3) after 30 mins by ...


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50096300
PNG
(CHEMBL3585452)
Show SMILES Cc1cncc(c1)-c1cnc(NC2CCNCC2)c2[nH]c(=O)c(C)cc12
Show InChI InChI=1S/C20H23N5O/c1-12-7-14(10-22-9-12)17-11-23-19(24-15-3-5-21-6-4-15)18-16(17)8-13(2)20(26)25-18/h7-11,15,21H,3-6H2,1-2H3,(H,23,24)(H,25,26)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to BRD3 6-His-Thr BRD3 (1 to 435) BD2 (unknown origin) harboring BD1 Y37A mutant


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50096300
PNG
(CHEMBL3585452)
Show SMILES Cc1cncc(c1)-c1cnc(NC2CCNCC2)c2[nH]c(=O)c(C)cc12
Show InChI InChI=1S/C20H23N5O/c1-12-7-14(10-22-9-12)17-11-23-19(24-15-3-5-21-6-4-15)18-16(17)8-13(2)20(26)25-18/h7-11,15,21H,3-6H2,1-2H3,(H,23,24)(H,25,26)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to 6-His-Thr BRD2 (1 to 473) BD2 (unknown origin) harboring BD1 Y113A mutant


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50093446
PNG
(CHEMBL3586699)
Show SMILES Cc1cc2cccc(NC3CCNCC3)c2[nH]c1=O
Show InChI InChI=1S/C19H30O2/c1-18-7-6-16-15(17(18)10-14(21)11-18)4-3-12-9-13(20)5-8-19(12,16)2/h12-13,15-17,20H,3-11H2,1-2H3/t12-,13?,15+,16-,17-,18+,19-/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of histone H4 peptide from FLAG-6His-Tev-ATAD2 (981 to 1121) (unknown origin) expressed in Escherichia coli BL21 (DE3) after 30 mins by ...


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50093444
PNG
(CHEMBL3586698)
Show SMILES CN(C)CCCNc1nccc2cc(C)c(=O)[nH]c12
Show InChI InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14?,15-,16?,17-,18?,19?,20+,21-/m1/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of I-BET762 from 6His-Thr-BRD4 (1 to 477) BD1 (unknown origin) harboring BD2 Y390A mutant after 30 mins by TR-FRET analysis


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50093470
PNG
(CHEMBL3586697)
Show SMILES CN(C)CCCNc1cccc2cc(C)c(=O)[nH]c12
Show InChI InChI=1S/C18H22N6O5/c1-28-10-5-3-2-4-9(10)6-20-18-22-15(19)12-16(23-18)24(8-21-12)17-14(27)13(26)11(7-25)29-17/h2-5,8,11,13-14,17,25-27H,6-7H2,1H3,(H3,19,20,22,23)/t11?,13-,14-,17?/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of histone H4 peptide from FLAG-6His-Tev-ATAD2 (981 to 1121) (unknown origin) expressed in Escherichia coli BL21 (DE3) after 30 mins by ...


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50093462
PNG
(CHEMBL3586689)
Show SMILES CN(C)CCNc1cccc2cc(C)c(=O)[nH]c12
Show InChI InChI=1S/C18H22N6O5/c19-18-22-15(20-5-4-9-2-1-3-10(26)6-9)12-16(23-18)24(8-21-12)17-14(28)13(27)11(7-25)29-17/h1-3,6,8,11,13-14,17,25-28H,4-5,7H2,(H3,19,20,22,23)/t11?,13-,14-,17?/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of I-BET762 from 6His-Thr-BRD4 (1 to 477) BD1 (unknown origin) harboring BD2 Y390A mutant after 30 mins by TR-FRET analysis


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
More data for this
Ligand-Target Pair
Bromodomain testis-specific protein


(Homo sapiens (Human))
BDBM50096282
PNG
(CHEMBL3585455)
Show SMILES COc1cncc(c1)-c1cnc(NC2CCNCC2)c2[nH]c(=O)c(C)cc12
Show InChI InChI=1S/C15H12N3O6P/c19-12(20)4-7-2-1-3-8-9(7)5-10-13(8)17-15(21)14-16-11(6-18(10)14)25(22,23)24/h1-3,6H,4-5H2,(H,17,21)(H,19,20)(H2,22,23,24)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to 6-His-FLAG-Tev-BRDT BD2 (1 to 397) (unknown origin) harboring BD1 Y66A mutant


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50093453
PNG
(CHEMBL3586706)
Show SMILES Cc1cc2ccnc(NCCC3CCCNC3)c2[nH]c1=O
Show InChI InChI=1S/C17H20N6O4/c18-14-11-15(22-17(21-14)19-6-9-4-2-1-3-5-9)23(8-20-11)16-13(26)12(25)10(7-24)27-16/h1-5,8,10,12-13,16,24-26H,6-7H2,(H3,18,19,21,22)/t10?,12-,13-,16?/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of I-BET762 from 6His-Thr-BRD4 (1 to 477) BD1 (unknown origin) harboring BD2 Y390A mutant after 30 mins by TR-FRET analysis


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50093454
PNG
(CHEMBL3586707)
Show SMILES Cc1cc2ccnc(NCC3CCNCC3)c2[nH]c1=O
Show InChI InChI=1S/C19H24N6O4/c1-10(11-5-3-2-4-6-11)7-21-16-13-17(24-19(20)23-16)25(9-22-13)18-15(28)14(27)12(8-26)29-18/h2-6,9-10,12,14-15,18,26-28H,7-8H2,1H3,(H3,20,21,23,24)/t10?,12?,14-,15-,18?/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of I-BET762 from 6His-Thr-BRD4 (1 to 477) BD1 (unknown origin) harboring BD2 Y390A mutant after 30 mins by TR-FRET analysis


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50096319
PNG
(CHEMBL3586718)
Show SMILES [H][C@]12CC[C@]([H])(C[C@H](C1)Nc1nccc3cc(C)c(=O)[nH]c13)N2C |r|
Show InChI InChI=1S/C23H19N3O/c1-16-8-7-9-17(2)22(16)26-21(14-13-18-10-5-6-15-24-18)25-20-12-4-3-11-19(20)23(26)27/h3-15H,1-2H3/b14-13+
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of histone H4 peptide from FLAG-6His-Tev-ATAD2 (981 to 1121) (unknown origin) expressed in Escherichia coli BL21 (DE3) after 30 mins by ...


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50093448
PNG
(CHEMBL3586701)
Show SMILES Cc1cc2cccc(N[C@@H]3CCNC3)c2[nH]c1=O |r|
Show InChI InChI=1S/C20H34O2/c1-19-10-8-14(21)12-13(19)4-5-15-16-6-7-18(22-3)20(16,2)11-9-17(15)19/h13-18,21H,4-12H2,1-3H3/t13-,14+,15-,16-,17-,18-,19-,20-/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of histone H4 peptide from FLAG-6His-Tev-ATAD2 (981 to 1121) (unknown origin) expressed in Escherichia coli BL21 (DE3) after 30 mins by ...


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50093458
PNG
(CHEMBL3586711)
Show SMILES Cc1cc2ccnc(NC[C@H]3CCNC3)c2[nH]c1=O |r|
Show InChI InChI=1S/C26H30N6O5/c33-14-19-21(35)22(36)25(37-19)32-15-29-20-23(27-12-10-16-4-2-1-3-5-16)30-26(31-24(20)32)28-13-11-17-6-8-18(34)9-7-17/h1-9,15,19,21-22,25,33-36H,10-14H2,(H2,27,28,30,31)/t19?,21-,22-,25?/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of histone H4 peptide from FLAG-6His-Tev-ATAD2 (981 to 1121) (unknown origin) expressed in Escherichia coli BL21 (DE3) after 30 mins by ...


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
More data for this
Ligand-Target Pair
Bromodomain testis-specific protein


(Homo sapiens (Human))
BDBM50096300
PNG
(CHEMBL3585452)
Show SMILES Cc1cncc(c1)-c1cnc(NC2CCNCC2)c2[nH]c(=O)c(C)cc12
Show InChI InChI=1S/C20H23N5O/c1-12-7-14(10-22-9-12)17-11-23-19(24-15-3-5-21-6-4-15)18-16(17)8-13(2)20(26)25-18/h7-11,15,21H,3-6H2,1-2H3,(H,23,24)(H,25,26)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to 6-His-FLAG-Tev-BRDT BD2 (1 to 397) (unknown origin) harboring BD1 Y66A mutant


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50093464
PNG
(CHEMBL3586691)
Show SMILES Cc1cc2cccc(NCCO)c2[nH]c1=O
Show InChI InChI=1S/C17H20N6O4/c18-17-21-14(19-6-9-4-2-1-3-5-9)11-15(22-17)23(8-20-11)16-13(26)12(25)10(7-24)27-16/h1-5,8,10,12-13,16,24-26H,6-7H2,(H3,18,19,21,22)/t10?,12-,13-,16?/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of I-BET762 from 6His-Thr-BRD4 (1 to 477) BD1 (unknown origin) harboring BD2 Y390A mutant after 30 mins by TR-FRET analysis


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50096297
PNG
(CHEMBL3586688)
Show SMILES Cc1cc2ccccc2[nH]c1=O
Show InChI InChI=1S/C10H9NO/c1-7-6-8-4-2-3-5-9(8)11-10(7)12/h2-6H,1H3,(H,11,12)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of I-BET762 from 6His-Thr-BRD4 (1 to 477) BD1 (unknown origin) harboring BD2 Y390A mutant after 30 mins by TR-FRET analysis


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50093459
PNG
(CHEMBL3586712)
Show SMILES Cc1cc2ccnc(NCC3CCCNC3)c2[nH]c1=O
Show InChI InChI=1S/C21H22N6O4/c22-21-25-18(23-8-12-6-3-5-11-4-1-2-7-13(11)12)15-19(26-21)27(10-24-15)20-17(30)16(29)14(9-28)31-20/h1-7,10,14,16-17,20,28-30H,8-9H2,(H3,22,23,25,26)/t14?,16-,17-,20?/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of histone H4 peptide from FLAG-6His-Tev-ATAD2 (981 to 1121) (unknown origin) expressed in Escherichia coli BL21 (DE3) after 30 mins by ...


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50096322
PNG
(CHEMBL3586726)
Show SMILES Cc1cc2c(cnc(NC3CCNCC3)c2[nH]c1=O)-c1ccccn1
Show InChI InChI=1S/C21H13ClFN3O/c22-17-6-1-2-7-19(17)26-20(11-9-15-5-3-4-12-24-15)25-18-10-8-14(23)13-16(18)21(26)27/h1-13H/b11-9+
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of histone H4 peptide from FLAG-6His-Tev-ATAD2 (981 to 1121) (unknown origin) expressed in Escherichia coli BL21 (DE3) after 30 mins by ...


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50093451
PNG
(CHEMBL3586704)
Show SMILES Cc1cc2ccnc(N[C@H]3CCNC3)c2[nH]c1=O |r|
Show InChI InChI=1S/C18H22N6O4/c1-9-2-4-10(5-3-9)6-20-18-22-15(19)12-16(23-18)24(8-21-12)17-14(27)13(26)11(7-25)28-17/h2-5,8,11,13-14,17,25-27H,6-7H2,1H3,(H3,19,20,22,23)/t11?,13-,14-,17?/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of I-BET762 from 6His-Thr-BRD4 (1 to 477) BD1 (unknown origin) harboring BD2 Y390A mutant after 30 mins by TR-FRET analysis


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50093454
PNG
(CHEMBL3586707)
Show SMILES Cc1cc2ccnc(NCC3CCNCC3)c2[nH]c1=O
Show InChI InChI=1S/C19H24N6O4/c1-10(11-5-3-2-4-6-11)7-21-16-13-17(24-19(20)23-16)25(9-22-13)18-15(28)14(27)12(8-26)29-18/h2-6,9-10,12,14-15,18,26-28H,7-8H2,1H3,(H3,20,21,23,24)/t10?,12?,14-,15-,18?/m0/s1
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n/an/a 5.01E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of histone H4 peptide from FLAG-6His-Tev-ATAD2 (981 to 1121) (unknown origin) expressed in Escherichia coli BL21 (DE3) after 30 mins by ...


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50093467
PNG
(CHEMBL3586694)
Show SMILES COCCNc1cccc2cc(C)c(=O)[nH]c12
Show InChI InChI=1S/C18H22N6O5/c19-15-12-16(24(8-21-12)17-14(28)13(27)11(7-25)29-17)23-18(22-15)20-6-10(26)9-4-2-1-3-5-9/h1-5,8,10-11,13-14,17,25-28H,6-7H2,(H3,19,20,22,23)/t10?,11?,13-,14-,17?/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of I-BET762 from 6His-Thr-BRD4 (1 to 477) BD1 (unknown origin) harboring BD2 Y390A mutant after 30 mins by TR-FRET analysis


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50093468
PNG
(CHEMBL3586695)
Show SMILES Cc1cc2cccc(NCCC(O)=O)c2[nH]c1=O
Show InChI InChI=1S/C15H24N6O4/c1-2-3-4-5-17-12-9-13(20-15(16)19-12)21(7-18-9)14-11(24)10(23)8(6-22)25-14/h7-8,10-11,14,22-24H,2-6H2,1H3,(H3,16,17,19,20)/t8?,10-,11-,14?/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of I-BET762 from 6His-Thr-BRD4 (1 to 477) BD1 (unknown origin) harboring BD2 Y390A mutant after 30 mins by TR-FRET analysis


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50093463
PNG
(CHEMBL3586690)
Show SMILES CCCNc1cccc2cc(C)c(=O)[nH]c12
Show InChI InChI=1S/C16H24N6O4/c17-13-10-14(21-16(20-13)19-8-4-2-1-3-5-8)22(7-18-10)15-12(25)11(24)9(6-23)26-15/h7-9,11-12,15,23-25H,1-6H2,(H3,17,19,20,21)/t9?,11-,12-,15?/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of I-BET762 from 6His-Thr-BRD4 (1 to 477) BD1 (unknown origin) harboring BD2 Y390A mutant after 30 mins by TR-FRET analysis


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50093457
PNG
(CHEMBL3586710)
Show SMILES Cc1cc2ccnc(N[C@H]3CCC[C@H](N)C3)c2[nH]c1=O |r|
Show InChI InChI=1S/C18H23N7O4/c19-10-3-1-9(2-4-10)5-6-21-18-23-15(20)12-16(24-18)25(8-22-12)17-14(28)13(27)11(7-26)29-17/h1-4,8,11,13-14,17,26-28H,5-7,19H2,(H3,20,21,23,24)/t11?,13-,14-,17?/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of histone H4 peptide from FLAG-6His-Tev-ATAD2 (981 to 1121) (unknown origin) expressed in Escherichia coli BL21 (DE3) after 30 mins by ...


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50093466
PNG
(CHEMBL3586693)
Show SMILES Cc1cc2cccc(NCc3ncc[nH]3)c2[nH]c1=O
Show InChI InChI=1S/C18H22N6O5/c19-18-22-15(20-6-5-9-1-3-10(26)4-2-9)12-16(23-18)24(8-21-12)17-14(28)13(27)11(7-25)29-17/h1-4,8,11,13-14,17,25-28H,5-7H2,(H3,19,20,22,23)/t11?,13-,14-,17?/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of I-BET762 from 6His-Thr-BRD4 (1 to 477) BD1 (unknown origin) harboring BD2 Y390A mutant after 30 mins by TR-FRET analysis


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50096316
PNG
(CHEMBL3585450)
Show SMILES Cc1cc2c(cnc(NC3CCNCC3)c2[nH]c1=O)-c1cccnc1C
Show InChI InChI=1S/C24H19ClFN3O2/c1-2-31-15-18-7-5-6-17(27-18)11-13-23-28-21-12-10-16(26)14-19(21)24(30)29(23)22-9-4-3-8-20(22)25/h3-14H,2,15H2,1H3/b13-11+
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of histone H4 peptide from FLAG-6His-Tev-ATAD2 (981 to 1121) (unknown origin) expressed in Escherichia coli BL21 (DE3) after 30 mins by ...


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50093444
PNG
(CHEMBL3586698)
Show SMILES CN(C)CCCNc1nccc2cc(C)c(=O)[nH]c12
Show InChI InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14?,15-,16?,17-,18?,19?,20+,21-/m1/s1
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n/an/a 6.31E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of histone H4 peptide from FLAG-6His-Tev-ATAD2 (981 to 1121) (unknown origin) expressed in Escherichia coli BL21 (DE3) after 30 mins by ...


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50093449
PNG
(CHEMBL3586702)
Show SMILES Cc1cc2ccnc(N[C@@H]3CCNC3)c2[nH]c1=O |r|
Show InChI InChI=1S/C20H32O2/c1-18-8-5-14(21)11-13(18)3-4-15-16(18)6-9-19(2)17(15)7-10-20(19)12-22-20/h13-17,21H,3-12H2,1-2H3/t13?,14-,15-,16+,17+,18+,19+,20-/m1/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of histone H4 peptide from FLAG-6His-Tev-ATAD2 (981 to 1121) (unknown origin) expressed in Escherichia coli BL21 (DE3) after 30 mins by ...


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50093467
PNG
(CHEMBL3586694)
Show SMILES COCCNc1cccc2cc(C)c(=O)[nH]c12
Show InChI InChI=1S/C18H22N6O5/c19-15-12-16(24(8-21-12)17-14(28)13(27)11(7-25)29-17)23-18(22-15)20-6-10(26)9-4-2-1-3-5-9/h1-5,8,10-11,13-14,17,25-28H,6-7H2,(H3,19,20,22,23)/t10?,11?,13-,14-,17?/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of histone H4 peptide from FLAG-6His-Tev-ATAD2 (981 to 1121) (unknown origin) expressed in Escherichia coli BL21 (DE3) after 30 mins by ...


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50093468
PNG
(CHEMBL3586695)
Show SMILES Cc1cc2cccc(NCCC(O)=O)c2[nH]c1=O
Show InChI InChI=1S/C15H24N6O4/c1-2-3-4-5-17-12-9-13(20-15(16)19-12)21(7-18-9)14-11(24)10(23)8(6-22)25-14/h7-8,10-11,14,22-24H,2-6H2,1H3,(H3,16,17,19,20)/t8?,10-,11-,14?/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of histone H4 peptide from FLAG-6His-Tev-ATAD2 (981 to 1121) (unknown origin) expressed in Escherichia coli BL21 (DE3) after 30 mins by ...


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50093463
PNG
(CHEMBL3586690)
Show SMILES CCCNc1cccc2cc(C)c(=O)[nH]c12
Show InChI InChI=1S/C16H24N6O4/c17-13-10-14(21-16(20-13)19-8-4-2-1-3-5-8)22(7-18-10)15-12(25)11(24)9(6-23)26-15/h7-9,11-12,15,23-25H,1-6H2,(H3,17,19,20,21)/t9?,11-,12-,15?/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of histone H4 peptide from FLAG-6His-Tev-ATAD2 (981 to 1121) (unknown origin) expressed in Escherichia coli BL21 (DE3) after 30 mins by ...


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50093462
PNG
(CHEMBL3586689)
Show SMILES CN(C)CCNc1cccc2cc(C)c(=O)[nH]c12
Show InChI InChI=1S/C18H22N6O5/c19-18-22-15(20-5-4-9-2-1-3-10(26)6-9)12-16(23-18)24(8-21-12)17-14(28)13(27)11(7-25)29-17/h1-3,6,8,11,13-14,17,25-28H,4-5,7H2,(H3,19,20,22,23)/t11?,13-,14-,17?/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of histone H4 peptide from FLAG-6His-Tev-ATAD2 (981 to 1121) (unknown origin) expressed in Escherichia coli BL21 (DE3) after 30 mins by ...


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50093455
PNG
(CHEMBL3586708)
Show SMILES CN(C)CC(C)(C)CNc1nccc2cc(C)c(=O)[nH]c12
Show InChI InChI=1S/C13H16N6O4/c1-2-3-15-10-7-11(18-13(14)17-10)19(5-16-7)12-9(22)8(21)6(4-20)23-12/h1,5-6,8-9,12,20-22H,3-4H2,(H3,14,15,17,18)/t6?,8-,9-,12?/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of histone H4 peptide from FLAG-6His-Tev-ATAD2 (981 to 1121) (unknown origin) expressed in Escherichia coli BL21 (DE3) after 30 mins by ...


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50093466
PNG
(CHEMBL3586693)
Show SMILES Cc1cc2cccc(NCc3ncc[nH]3)c2[nH]c1=O
Show InChI InChI=1S/C18H22N6O5/c19-18-22-15(20-6-5-9-1-3-10(26)4-2-9)12-16(23-18)24(8-21-12)17-14(28)13(27)11(7-25)29-17/h1-4,8,11,13-14,17,25-28H,5-7H2,(H3,19,20,22,23)/t11?,13-,14-,17?/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of histone H4 peptide from FLAG-6His-Tev-ATAD2 (981 to 1121) (unknown origin) expressed in Escherichia coli BL21 (DE3) after 30 mins by ...


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50093464
PNG
(CHEMBL3586691)
Show SMILES Cc1cc2cccc(NCCO)c2[nH]c1=O
Show InChI InChI=1S/C17H20N6O4/c18-17-21-14(19-6-9-4-2-1-3-5-9)11-15(22-17)23(8-20-11)16-13(26)12(25)10(7-24)27-16/h1-5,8,10,12-13,16,24-26H,6-7H2,(H3,18,19,21,22)/t10?,12-,13-,16?/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of histone H4 peptide from FLAG-6His-Tev-ATAD2 (981 to 1121) (unknown origin) expressed in Escherichia coli BL21 (DE3) after 30 mins by ...


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50093456
PNG
(CHEMBL3586709)
Show SMILES Cc1cc2ccnc(N[C@@H]3CCCNC3)c2[nH]c1=O |r|
Show InChI InChI=1S/C18H21ClN6O4/c19-10-4-2-1-3-9(10)5-6-21-15-12-16(24-18(20)23-15)25(8-22-12)17-14(28)13(27)11(7-26)29-17/h1-4,8,11,13-14,17,26-28H,5-7H2,(H3,20,21,23,24)/t11?,13-,14-,17?/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of histone H4 peptide from FLAG-6His-Tev-ATAD2 (981 to 1121) (unknown origin) expressed in Escherichia coli BL21 (DE3) after 30 mins by ...


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50093452
PNG
(CHEMBL3586705)
Show SMILES Cc1cc2ccnc(NCCC3CCNCC3)c2[nH]c1=O
Show InChI InChI=1S/C18H21ClN6O4/c19-10-4-2-1-3-9(10)5-6-21-18-23-15(20)12-16(24-18)25(8-22-12)17-14(28)13(27)11(7-26)29-17/h1-4,8,11,13-14,17,26-28H,5-7H2,(H3,20,21,23,24)/t11?,13-,14-,17?/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of histone H4 peptide from FLAG-6His-Tev-ATAD2 (981 to 1121) (unknown origin) expressed in Escherichia coli BL21 (DE3) after 30 mins by ...


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50093453
PNG
(CHEMBL3586706)
Show SMILES Cc1cc2ccnc(NCCC3CCCNC3)c2[nH]c1=O
Show InChI InChI=1S/C17H20N6O4/c18-14-11-15(22-17(21-14)19-6-9-4-2-1-3-5-9)23(8-20-11)16-13(26)12(25)10(7-24)27-16/h1-5,8,10,12-13,16,24-26H,6-7H2,(H3,18,19,21,22)/t10?,12-,13-,16?/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of histone H4 peptide from FLAG-6His-Tev-ATAD2 (981 to 1121) (unknown origin) expressed in Escherichia coli BL21 (DE3) after 30 mins by ...


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50093465
PNG
(CHEMBL3586692)
Show SMILES Cc1cc2cccc(NCCCO)c2[nH]c1=O
Show InChI InChI=1S/C19H24N6O4/c1-10(11-5-3-2-4-6-11)7-21-19-23-16(20)13-17(24-19)25(9-22-13)18-15(28)14(27)12(8-26)29-18/h2-6,9-10,12,14-15,18,26-28H,7-8H2,1H3,(H3,20,21,23,24)/t10?,12?,14-,15-,18?/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of histone H4 peptide from FLAG-6His-Tev-ATAD2 (981 to 1121) (unknown origin) expressed in Escherichia coli BL21 (DE3) after 30 mins by ...


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50093455
PNG
(CHEMBL3586708)
Show SMILES CN(C)CC(C)(C)CNc1nccc2cc(C)c(=O)[nH]c12
Show InChI InChI=1S/C13H16N6O4/c1-2-3-15-10-7-11(18-13(14)17-10)19(5-16-7)12-9(22)8(21)6(4-20)23-12/h1,5-6,8-9,12,20-22H,3-4H2,(H3,14,15,17,18)/t6?,8-,9-,12?/m0/s1
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n/an/a 1.58E+5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of I-BET762 from 6His-Thr-BRD4 (1 to 477) BD1 (unknown origin) harboring BD2 Y390A mutant after 30 mins by TR-FRET analysis


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50093469
PNG
(CHEMBL3586696)
Show SMILES CN(C)CCNc1nccc2cc(C)c(=O)[nH]c12
Show InChI InChI=1S/C18H21ClN6O4/c19-10-3-1-9(2-4-10)5-6-21-15-12-16(24-18(20)23-15)25(8-22-12)17-14(28)13(27)11(7-26)29-17/h1-4,8,11,13-14,17,26-28H,5-7H2,(H3,20,21,23,24)/t11?,13-,14-,17?/m0/s1
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n/an/a<5.01E+5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of I-BET762 from 6His-Thr-BRD4 (1 to 477) BD1 (unknown origin) harboring BD2 Y390A mutant after 30 mins by TR-FRET analysis


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50093469
PNG
(CHEMBL3586696)
Show SMILES CN(C)CCNc1nccc2cc(C)c(=O)[nH]c12
Show InChI InChI=1S/C18H21ClN6O4/c19-10-3-1-9(2-4-10)5-6-21-15-12-16(24-18(20)23-15)25(8-22-12)17-14(28)13(27)11(7-26)29-17/h1-4,8,11,13-14,17,26-28H,5-7H2,(H3,20,21,23,24)/t11?,13-,14-,17?/m0/s1
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n/an/a 5.01E+5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of histone H4 peptide from FLAG-6His-Tev-ATAD2 (981 to 1121) (unknown origin) expressed in Escherichia coli BL21 (DE3) after 30 mins by ...


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50096297
PNG
(CHEMBL3586688)
Show SMILES Cc1cc2ccccc2[nH]c1=O
Show InChI InChI=1S/C10H9NO/c1-7-6-8-4-2-3-5-9(8)11-10(7)12/h2-6H,1H3,(H,11,12)
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n/an/a<1.00E+6n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of histone H4 peptide from FLAG-6His-Tev-ATAD2 (981 to 1121) (unknown origin) expressed in Escherichia coli BL21 (DE3) after 30 mins by ...


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50096300
PNG
(CHEMBL3585452)
Show SMILES Cc1cncc(c1)-c1cnc(NC2CCNCC2)c2[nH]c(=O)c(C)cc12
Show InChI InChI=1S/C20H23N5O/c1-12-7-14(10-22-9-12)17-11-23-19(24-15-3-5-21-6-4-15)18-16(17)8-13(2)20(26)25-18/h7-11,15,21H,3-6H2,1-2H3,(H,23,24)(H,25,26)
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n/an/an/a 2.50E+3n/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to FLAG-6His-Tev-ATAD2 (950 to 1148) (unknown origin) expressed in Escherichia coli BL21 (DE3) by SPR analysis


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50096280
PNG
(CHEMBL3585459)
Show SMILES Cc1cc2c(cnc(NC3CCNCC3)c2[nH]c1=O)-c1cncc(N)c1
Show InChI InChI=1S/C16H11N7O3/c24-15-14-17-10(16(25)26)6-23(14)11-5-9-7(4-12-19-21-22-20-12)2-1-3-8(9)13(11)18-15/h1-3,6H,4-5H2,(H,18,24)(H,25,26)(H,19,20,21,22)
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n/an/an/a 1.50E+3n/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to FLAG-6His-Tev-ATAD2 (950 to 1148) (unknown origin) expressed in Escherichia coli BL21 (DE3) by SPR analysis


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50093447
PNG
(CHEMBL3586700)
Show SMILES Cc1cc2ccnc(NC3CCNCC3)c2[nH]c1=O
Show InChI InChI=1S/C21H34O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h13-18,22-23H,3-12H2,1-2H3/t13?,14-,15?,16?,17?,18-,20+,21+/m1/s1
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n/an/an/a 2.10E+4n/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to FLAG-6His-Tev-ATAD2 (950 to 1148) (unknown origin) expressed in Escherichia coli BL21 (DE3) by SPR analysis


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
* indicates data uncertainty>20%