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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 256.3
BDBM50200385
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Wt: 256.7
BDBM50234944
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Wt: 235.6
BDBM50234924
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Wt: 155.1
BDBM50239563
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Wt: 228.6
BDBM50573183
Wt: 228.6
BDBM50573184
Wt: 214.6
BDBM50573185
Wt: 256.7
BDBM50573186
Wt: 250.6
BDBM50573187
Wt: 253.6
BDBM50573188
Wt: 264.7
BDBM50573189
Wt: 264.7
BDBM50573190
Wt: 264.7
BDBM50573195
Wt: 230.6
BDBM50573199
Wt: 263.3
BDBM50573834
Displayed 1 to 15 (of 80 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 38 hits in this display   
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
Histone acetyltransferase KAT2B


(Homo sapiens (Human))
BDBM50234944
PNG
(CHEMBL4072538 | US10239861, Example 60)
Show SMILES CN1CCC[C@H](C1)Nc1cnn(C)c(=O)c1Cl |r|
Show InChI InChI=1S/C11H17ClN4O/c1-15-5-3-4-8(7-15)14-9-6-13-16(2)11(17)10(9)12/h6,8,14H,3-5,7H2,1-2H3/t8-/m1/s1
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US Patent
n/an/a 235n/an/an/an/an/an/a



GLSynthesis Inc.



Assay Description
His/Flag epitope tagged PCAF719-832 bromodomain was cloned, expressed and purified to homogeneity in-house. PCAF bromodomain binding and inhibition o...


J Med Chem 48: 3919-29 (2005)


BindingDB Entry DOI: 10.7270/Q2X06991
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nucleosome-remodeling factor subunit BPTF


(Homo sapiens (Human))
BDBM50573190
PNG
(CHEMBL4866748)
Show SMILES Cn1ncc(Nc2ccc(CN)cc2)c(Cl)c1=O
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n/an/a 290n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HIS9-tagged BPTF (unknown origin) expressed in Escherichia coli BL21 (DE3) cells incubated for 30 mins by AlphaScreen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01294
BindingDB Entry DOI: 10.7270/Q2HM5D7G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone acetyltransferase KAT2B


(Homo sapiens (Human))
BDBM50234944
PNG
(CHEMBL4072538 | US10239861, Example 60)
Show SMILES CN1CCC[C@H](C1)Nc1cnn(C)c(=O)c1Cl |r|
Show InChI InChI=1S/C11H17ClN4O/c1-15-5-3-4-8(7-15)14-9-6-13-16(2)11(17)10(9)12/h6,8,14H,3-5,7H2,1-2H3/t8-/m1/s1
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n/an/a 501n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of GSK3103956A from FLAG-6 His-Halo tagged human PCAF bromodomain (715 to 831 residues) incubated for 30 mins in dark by TR-FRET assay


J Med Chem 60: 695-709 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01566
BindingDB Entry DOI: 10.7270/Q2W09863
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CREB-binding protein/Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM50200385
PNG
(CHEMBL3959584)
Show SMILES CC(=O)N1CCc2[nH]nc(Nc3ccccc3)c2C1
Show InChI InChI=1S/C14H16N4O/c1-10(19)18-8-7-13-12(9-18)14(17-16-13)15-11-5-3-2-4-6-11/h2-6H,7-9H2,1H3,(H2,15,16,17)
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n/an/a 620n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Displacement of biotinylated ligand from recombinant His-tagged CBP/EP300 (unknown origin) measured after 10 mins by TR-FRET assay


J Med Chem 59: 10549-10563 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01022
BindingDB Entry DOI: 10.7270/Q27083DF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nucleosome-remodeling factor subunit BPTF


(Homo sapiens (Human))
BDBM50573188
PNG
(CHEMBL4850913)
Show SMILES Cn1ncc(Nc2ccc(F)cc2)c(Cl)c1=O
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n/an/a 700n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HIS9-tagged BPTF (unknown origin) expressed in Escherichia coli BL21 (DE3) cells incubated for 30 mins by AlphaScreen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01294
BindingDB Entry DOI: 10.7270/Q2HM5D7G
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50200385
PNG
(CHEMBL3959584)
Show SMILES CC(=O)N1CCc2[nH]nc(Nc3ccccc3)c2C1
Show InChI InChI=1S/C14H16N4O/c1-10(19)18-8-7-13-12(9-18)14(17-16-13)15-11-5-3-2-4-6-11/h2-6H,7-9H2,1H3,(H2,15,16,17)
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n/an/a 740n/an/an/an/an/an/a



WuXi AppTec Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged CBP (unknown origin) by TR-FRET assay


Bioorg Med Chem Lett 28: 15-23 (2018)


Article DOI: 10.1016/j.bmcl.2017.11.025
BindingDB Entry DOI: 10.7270/Q2ZG6VVZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nucleosome-remodeling factor subunit BPTF


(Homo sapiens (Human))
BDBM50573195
PNG
(CHEMBL4855881)
Show SMILES Cn1ncc(Nc2cccc(CN)c2)c(Cl)c1=O
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n/an/a 800n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HIS9-tagged BPTF (unknown origin) expressed in Escherichia coli BL21 (DE3) cells incubated for 30 mins by AlphaScreen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01294
BindingDB Entry DOI: 10.7270/Q2HM5D7G
More data for this
Ligand-Target Pair
Nucleosome-remodeling factor subunit BPTF


(Homo sapiens (Human))
BDBM50234924
PNG
(CHEMBL4065579)
Show SMILES Cn1ncc(Nc2ccccc2)c(Cl)c1=O
Show InChI InChI=1S/C11H10ClN3O/c1-15-11(16)10(12)9(7-13-15)14-8-5-3-2-4-6-8/h2-7,14H,1H3
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n/an/a 950n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HIS9-tagged BPTF (unknown origin) expressed in Escherichia coli BL21 (DE3) cells incubated for 30 mins by AlphaScreen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01294
BindingDB Entry DOI: 10.7270/Q2HM5D7G
More data for this
Ligand-Target Pair
Bromodomain-containing protein 9


(Homo sapiens (Human))
BDBM50234924
PNG
(CHEMBL4065579)
Show SMILES Cn1ncc(Nc2ccccc2)c(Cl)c1=O
Show InChI InChI=1S/C11H10ClN3O/c1-15-11(16)10(12)9(7-13-15)14-8-5-3-2-4-6-8/h2-7,14H,1H3
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n/an/a 2.51E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of GSK2833930A from human BRD9 incubated for 30 mins in dark by TR-FRET assay


J Med Chem 60: 695-709 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01566
BindingDB Entry DOI: 10.7270/Q2W09863
More data for this
Ligand-Target Pair
Nucleosome-remodeling factor subunit BPTF


(Homo sapiens (Human))
BDBM50573187
PNG
(CHEMBL4861822)
Show SMILES Cn1ncc(Nc2ccc(N)cc2)c(Cl)c1=O
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n/an/a 3.20E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HIS9-tagged BPTF (unknown origin) expressed in Escherichia coli BL21 (DE3) cells incubated for 30 mins by AlphaScreen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01294
BindingDB Entry DOI: 10.7270/Q2HM5D7G
More data for this
Ligand-Target Pair
Nucleosome-remodeling factor subunit BPTF


(Homo sapiens (Human))
BDBM50573186
PNG
(CHEMBL4872107)
Show SMILES Cn1ncc(NC2CCCCNC2)c(Cl)c1=O
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n/an/a 7.70E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HIS9-tagged BPTF (unknown origin) expressed in Escherichia coli BL21 (DE3) cells incubated for 30 mins by AlphaScreen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01294
BindingDB Entry DOI: 10.7270/Q2HM5D7G
More data for this
Ligand-Target Pair
Nucleosome-remodeling factor subunit BPTF


(Homo sapiens (Human))
BDBM50573834
PNG
(CHEMBL4863800)
Show SMILES CNc1cc(nc(n1)S(C)(=O)=O)-c1ccccc1
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n/an/a 7.80E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal GST-tagged human BPTF (2914 to 3037 residues) expressed in Escherichia coli BL21-CodonPlus (DE3) cells by HTRF assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00721
BindingDB Entry DOI: 10.7270/Q2M61Q27
More data for this
Ligand-Target Pair
Nucleosome-remodeling factor subunit BPTF


(Homo sapiens (Human))
BDBM50573185
PNG
(CHEMBL4853420)
Show SMILES Cn1ncc(NC2CNC2)c(Cl)c1=O
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n/an/a 8.70E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HIS9-tagged BPTF (unknown origin) expressed in Escherichia coli BL21 (DE3) cells incubated for 30 mins by AlphaScreen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01294
BindingDB Entry DOI: 10.7270/Q2HM5D7G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nucleosome-remodeling factor subunit BPTF


(Homo sapiens (Human))
BDBM50573199
PNG
(CHEMBL4849136)
Show SMILES CN(C)CCNc1c(Cl)cnn(C)c1=O
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n/an/a 1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HIS9-tagged BPTF (unknown origin) expressed in Escherichia coli BL21 (DE3) cells incubated for 30 mins by AlphaScreen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01294
BindingDB Entry DOI: 10.7270/Q2HM5D7G
More data for this
Ligand-Target Pair
Nucleosome-remodeling factor subunit BPTF


(Homo sapiens (Human))
BDBM50573183
PNG
(CHEMBL4867912)
Show SMILES Cn1ncc(N[C@@H]2CCNC2)c(Cl)c1=O |r|
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n/an/a 1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HIS9-tagged BPTF (unknown origin) expressed in Escherichia coli BL21 (DE3) cells incubated for 30 mins by AlphaScreen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01294
BindingDB Entry DOI: 10.7270/Q2HM5D7G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone acetyltransferase KAT2B


(Homo sapiens (Human))
BDBM50234924
PNG
(CHEMBL4065579)
Show SMILES Cn1ncc(Nc2ccccc2)c(Cl)c1=O
Show InChI InChI=1S/C11H10ClN3O/c1-15-11(16)10(12)9(7-13-15)14-8-5-3-2-4-6-8/h2-7,14H,1H3
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n/an/a 1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of GSK3103956A from FLAG-6 His-Halo tagged human PCAF bromodomain (715 to 831 residues) incubated for 30 mins in dark by TR-FRET assay


J Med Chem 60: 695-709 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01566
BindingDB Entry DOI: 10.7270/Q2W09863
More data for this
Ligand-Target Pair
Nucleosome-remodeling factor subunit BPTF


(Homo sapiens (Human))
BDBM50573189
PNG
(CHEMBL4857332)
Show SMILES Cn1ncc(NCc2cccc(N)c2)c(Cl)c1=O
PDB
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n/an/a 1.10E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HIS9-tagged BPTF (unknown origin) expressed in Escherichia coli BL21 (DE3) cells incubated for 30 mins by AlphaScreen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01294
BindingDB Entry DOI: 10.7270/Q2HM5D7G
More data for this
Ligand-Target Pair
Nucleosome-remodeling factor subunit BPTF


(Homo sapiens (Human))
BDBM50234944
PNG
(CHEMBL4072538 | US10239861, Example 60)
Show SMILES CN1CCC[C@H](C1)Nc1cnn(C)c(=O)c1Cl |r|
Show InChI InChI=1S/C11H17ClN4O/c1-15-5-3-4-8(7-15)14-9-6-13-16(2)11(17)10(9)12/h6,8,14H,3-5,7H2,1-2H3/t8-/m1/s1
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n/an/a 1.90E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HIS9-tagged BPTF (unknown origin) expressed in Escherichia coli BL21 (DE3) cells incubated for 30 mins by AlphaScreen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01294
BindingDB Entry DOI: 10.7270/Q2HM5D7G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain adjacent to zinc finger domain protein 2B


(Homo sapiens (Human))
BDBM50200385
PNG
(CHEMBL3959584)
Show SMILES CC(=O)N1CCc2[nH]nc(Nc3ccccc3)c2C1
Show InChI InChI=1S/C14H16N4O/c1-10(19)18-8-7-13-12(9-18)14(17-16-13)15-11-5-3-2-4-6-11/h2-6H,7-9H2,1H3,(H2,15,16,17)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Displacement of biotinylated ligand from recombinant His-tagged BAZ2B (unknown origin) measured after 10 mins by TR-FRET assay


J Med Chem 59: 10549-10563 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01022
BindingDB Entry DOI: 10.7270/Q27083DF
More data for this
Ligand-Target Pair
Transcription initiation factor TFIID subunit 1


(Homo sapiens (Human))
BDBM50200385
PNG
(CHEMBL3959584)
Show SMILES CC(=O)N1CCc2[nH]nc(Nc3ccccc3)c2C1
Show InChI InChI=1S/C14H16N4O/c1-10(19)18-8-7-13-12(9-18)14(17-16-13)15-11-5-3-2-4-6-11/h2-6H,7-9H2,1H3,(H2,15,16,17)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Displacement of biotinylated ligand from recombinant His-tagged TAF1 bromodomain 1 (unknown origin) measured after 10 mins by TR-FRET assay


J Med Chem 59: 10549-10563 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01022
BindingDB Entry DOI: 10.7270/Q27083DF
More data for this
Ligand-Target Pair
Bromodomain-containing protein 9


(Homo sapiens (Human))
BDBM50200385
PNG
(CHEMBL3959584)
Show SMILES CC(=O)N1CCc2[nH]nc(Nc3ccccc3)c2C1
Show InChI InChI=1S/C14H16N4O/c1-10(19)18-8-7-13-12(9-18)14(17-16-13)15-11-5-3-2-4-6-11/h2-6H,7-9H2,1H3,(H2,15,16,17)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Displacement of biotinylated ligand from recombinant His-tagged BRD9 (unknown origin) measured after 10 mins by TR-FRET assay


J Med Chem 59: 10549-10563 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01022
BindingDB Entry DOI: 10.7270/Q27083DF
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2A


(Homo sapiens (Human))
BDBM50200385
PNG
(CHEMBL3959584)
Show SMILES CC(=O)N1CCc2[nH]nc(Nc3ccccc3)c2C1
Show InChI InChI=1S/C14H16N4O/c1-10(19)18-8-7-13-12(9-18)14(17-16-13)15-11-5-3-2-4-6-11/h2-6H,7-9H2,1H3,(H2,15,16,17)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Displacement of biotinylated ligand from recombinant His-tagged GCN5 long isoform (unknown origin) measured after 10 mins by TR-FRET assay


J Med Chem 59: 10549-10563 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01022
BindingDB Entry DOI: 10.7270/Q27083DF
More data for this
Ligand-Target Pair
Nucleosome-remodeling factor subunit BPTF


(Homo sapiens (Human))
BDBM50200385
PNG
(CHEMBL3959584)
Show SMILES CC(=O)N1CCc2[nH]nc(Nc3ccccc3)c2C1
Show InChI InChI=1S/C14H16N4O/c1-10(19)18-8-7-13-12(9-18)14(17-16-13)15-11-5-3-2-4-6-11/h2-6H,7-9H2,1H3,(H2,15,16,17)
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Genentech

Curated by ChEMBL


Assay Description
Displacement of biotinylated ligand from recombinant His-tagged BPTF (unknown origin) measured after 10 mins by TR-FRET assay


J Med Chem 59: 10549-10563 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01022
BindingDB Entry DOI: 10.7270/Q27083DF
More data for this
Ligand-Target Pair
Peregrin


(Homo sapiens (Human))
BDBM50200385
PNG
(CHEMBL3959584)
Show SMILES CC(=O)N1CCc2[nH]nc(Nc3ccccc3)c2C1
Show InChI InChI=1S/C14H16N4O/c1-10(19)18-8-7-13-12(9-18)14(17-16-13)15-11-5-3-2-4-6-11/h2-6H,7-9H2,1H3,(H2,15,16,17)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Displacement of biotinylated ligand from recombinant His-tagged BRPF1 (unknown origin) measured after 10 mins by TR-FRET assay


J Med Chem 59: 10549-10563 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01022
BindingDB Entry DOI: 10.7270/Q27083DF
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2B


(Homo sapiens (Human))
BDBM50200385
PNG
(CHEMBL3959584)
Show SMILES CC(=O)N1CCc2[nH]nc(Nc3ccccc3)c2C1
Show InChI InChI=1S/C14H16N4O/c1-10(19)18-8-7-13-12(9-18)14(17-16-13)15-11-5-3-2-4-6-11/h2-6H,7-9H2,1H3,(H2,15,16,17)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Displacement of biotinylated ligand from recombinant His-tagged PCAF (unknown origin) measured after 10 mins by TR-FRET assay


J Med Chem 59: 10549-10563 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01022
BindingDB Entry DOI: 10.7270/Q27083DF
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50200385
PNG
(CHEMBL3959584)
Show SMILES CC(=O)N1CCc2[nH]nc(Nc3ccccc3)c2C1
Show InChI InChI=1S/C14H16N4O/c1-10(19)18-8-7-13-12(9-18)14(17-16-13)15-11-5-3-2-4-6-11/h2-6H,7-9H2,1H3,(H2,15,16,17)
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Genentech

Curated by ChEMBL


Assay Description
Displacement of biotinylated ligand from recombinant His-tagged BRD4 bromodomain-2 (unknown origin) measured after 10 mins by TR-FRET assay


J Med Chem 59: 10549-10563 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01022
BindingDB Entry DOI: 10.7270/Q27083DF
More data for this
Ligand-Target Pair
Transcription initiation factor TFIID subunit 1


(Homo sapiens (Human))
BDBM50200385
PNG
(CHEMBL3959584)
Show SMILES CC(=O)N1CCc2[nH]nc(Nc3ccccc3)c2C1
Show InChI InChI=1S/C14H16N4O/c1-10(19)18-8-7-13-12(9-18)14(17-16-13)15-11-5-3-2-4-6-11/h2-6H,7-9H2,1H3,(H2,15,16,17)
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Genentech

Curated by ChEMBL


Assay Description
Displacement of biotinylated ligand from recombinant His-tagged TAF1 bromodomain 2 (unknown origin) measured after 10 mins by TR-FRET assay


J Med Chem 59: 10549-10563 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01022
BindingDB Entry DOI: 10.7270/Q27083DF
More data for this
Ligand-Target Pair
Bromodomain-containing protein 8


(Homo sapiens (Human))
BDBM50200385
PNG
(CHEMBL3959584)
Show SMILES CC(=O)N1CCc2[nH]nc(Nc3ccccc3)c2C1
Show InChI InChI=1S/C14H16N4O/c1-10(19)18-8-7-13-12(9-18)14(17-16-13)15-11-5-3-2-4-6-11/h2-6H,7-9H2,1H3,(H2,15,16,17)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Displacement of biotinylated ligand from recombinant His-tagged BRD8 bromodomain-1 (unknown origin) measured after 10 mins by TR-FRET assay


J Med Chem 59: 10549-10563 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01022
BindingDB Entry DOI: 10.7270/Q27083DF
More data for this
Ligand-Target Pair
Chromatin remodeling regulator CECR2


(Homo sapiens (Human))
BDBM50200385
PNG
(CHEMBL3959584)
Show SMILES CC(=O)N1CCc2[nH]nc(Nc3ccccc3)c2C1
Show InChI InChI=1S/C14H16N4O/c1-10(19)18-8-7-13-12(9-18)14(17-16-13)15-11-5-3-2-4-6-11/h2-6H,7-9H2,1H3,(H2,15,16,17)
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Genentech

Curated by ChEMBL


Assay Description
Displacement of biotinylated ligand from recombinant His-tagged CECR2 (unknown origin) measured after 10 mins by TR-FRET assay


J Med Chem 59: 10549-10563 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01022
BindingDB Entry DOI: 10.7270/Q27083DF
More data for this
Ligand-Target Pair
Nucleosome-remodeling factor subunit BPTF


(Homo sapiens (Human))
BDBM50573184
PNG
(CHEMBL4871852)
Show SMILES Cn1ncc(N[C@H]2CCNC2)c(Cl)c1=O |r|
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n/an/a 3.10E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HIS9-tagged BPTF (unknown origin) expressed in Escherichia coli BL21 (DE3) cells incubated for 30 mins by AlphaScreen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01294
BindingDB Entry DOI: 10.7270/Q2HM5D7G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50573190
PNG
(CHEMBL4866748)
Show SMILES Cn1ncc(Nc2ccc(CN)cc2)c(Cl)c1=O
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n/an/a 4.20E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HIS9-tagged BRD4 (unknown origin) expressed in Escherichia coli BL21 (DE3) cells incubated for 30 mins by AlphaScreen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01294
BindingDB Entry DOI: 10.7270/Q2HM5D7G
More data for this
Ligand-Target Pair
Bromodomain-containing protein 9


(Homo sapiens (Human))
BDBM50234944
PNG
(CHEMBL4072538 | US10239861, Example 60)
Show SMILES CN1CCC[C@H](C1)Nc1cnn(C)c(=O)c1Cl |r|
Show InChI InChI=1S/C11H17ClN4O/c1-15-5-3-4-8(7-15)14-9-6-13-16(2)11(17)10(9)12/h6,8,14H,3-5,7H2,1-2H3/t8-/m1/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of GSK2833930A from human BRD9 incubated for 30 mins in dark by TR-FRET assay


J Med Chem 60: 695-709 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01566
BindingDB Entry DOI: 10.7270/Q2W09863
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50200385
PNG
(CHEMBL3959584)
Show SMILES CC(=O)N1CCc2[nH]nc(Nc3ccccc3)c2C1
Show InChI InChI=1S/C14H16N4O/c1-10(19)18-8-7-13-12(9-18)14(17-16-13)15-11-5-3-2-4-6-11/h2-6H,7-9H2,1H3,(H2,15,16,17)
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n/an/a 6.00E+4n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Displacement of biotinylated ligand from recombinant His-tagged BRD4 bromodomain-1 (unknown origin) measured after 10 mins by TR-FRET assay


J Med Chem 59: 10549-10563 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01022
BindingDB Entry DOI: 10.7270/Q27083DF
More data for this
Ligand-Target Pair
Bromodomain testis-specific protein


(Homo sapiens (Human))
BDBM50239563
PNG
(CHEMBL4095390)
Show SMILES CCn1c(N)cc(=O)[nH]c1=O
Show InChI InChI=1S/C6H9N3O2/c1-2-9-4(7)3-5(10)8-6(9)11/h3H,2,7H2,1H3,(H,8,10,11)
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n/an/an/a 1.50E+6n/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity to 5FW-labeled BRDT bromodomain 1 W81 residue (unknown origin) expressed in Escherichia coli BL21(DE3) by PrOF NMR spectroscopic ana...


J Med Chem 60: 4805-4817 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01336
BindingDB Entry DOI: 10.7270/Q2PC34JK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50239563
PNG
(CHEMBL4095390)
Show SMILES CCn1c(N)cc(=O)[nH]c1=O
Show InChI InChI=1S/C6H9N3O2/c1-2-9-4(7)3-5(10)8-6(9)11/h3H,2,7H2,1H3,(H,8,10,11)
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n/an/an/a 6.60E+5n/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of acetylated histone4 (1 to 21 residues) binding to His-tagged BRD4 bromodomain 1 (42 to 168 residues) (unknown origin) expressed in Esch...


J Med Chem 60: 4805-4817 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01336
BindingDB Entry DOI: 10.7270/Q2PC34JK
More data for this
Ligand-Target Pair
Bromodomain testis-specific protein


(Homo sapiens (Human))
BDBM50239563
PNG
(CHEMBL4095390)
Show SMILES CCn1c(N)cc(=O)[nH]c1=O
Show InChI InChI=1S/C6H9N3O2/c1-2-9-4(7)3-5(10)8-6(9)11/h3H,2,7H2,1H3,(H,8,10,11)
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n/an/an/a 1.50E+6n/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity to 5FW-labeled BRDT bromodomain 1 W50 residue (unknown origin) expressed in Escherichia coli BL21(DE3) by PrOF NMR spectroscopic ana...


J Med Chem 60: 4805-4817 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01336
BindingDB Entry DOI: 10.7270/Q2PC34JK
More data for this
Ligand-Target Pair
Nucleosome-remodeling factor subunit BPTF


(Homo sapiens (Human))
BDBM50573183
PNG
(CHEMBL4867912)
Show SMILES Cn1ncc(N[C@@H]2CCNC2)c(Cl)c1=O |r|
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TBA

Assay Description
Binding affinity to BPTF (unknown origin) expressed in Escherichia coli BL21 (DE3) cells by SPR analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00721
BindingDB Entry DOI: 10.7270/Q2M61Q27
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nucleosome-remodeling factor subunit BPTF


(Homo sapiens (Human))
BDBM50239563
PNG
(CHEMBL4095390)
Show SMILES CCn1c(N)cc(=O)[nH]c1=O
Show InChI InChI=1S/C6H9N3O2/c1-2-9-4(7)3-5(10)8-6(9)11/h3H,2,7H2,1H3,(H,8,10,11)
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n/an/an/a 6.80E+6n/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity to 5FW-labeled BPTF (unknown origin) by PrOF NMR spectroscopic analysis


J Med Chem 60: 4805-4817 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01336
BindingDB Entry DOI: 10.7270/Q2PC34JK
More data for this
Ligand-Target Pair