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Compile Data Set for Download or QSAR

Found 94 hits Enz. Inhib. hit(s) with all data for entry = 50014460   
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))
BDBM50576438
PNG
(CHEMBL4869149)
Show SMILES [H][C@@]12C[C@@H](O)C[C@]1([H])[C@H]2NC(=O)c1cc2c(OC[C@@]2(C)c2ccccc2)c(c1)C(=O)NC |r|
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n/an/a 1n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human BRD4 BD2 (333 to 460 residues) expressed in bacterial expression system by bromoscan assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00344
BindingDB Entry DOI: 10.7270/Q2S46WSG
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50576438
PNG
(CHEMBL4869149)
Show SMILES [H][C@@]12C[C@@H](O)C[C@]1([H])[C@H]2NC(=O)c1cc2c(OC[C@@]2(C)c2ccccc2)c(c1)C(=O)NC |r|
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n/an/a 1.30n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human BRD3 BD2 (306 to 416 residues) expressed in bacterial expression system by bromoscan assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00344
BindingDB Entry DOI: 10.7270/Q2S46WSG
More data for this
Ligand-Target Pair
Bromodomain testis-specific protein


(Homo sapiens (Human))
BDBM50576438
PNG
(CHEMBL4869149)
Show SMILES [H][C@@]12C[C@@H](O)C[C@]1([H])[C@H]2NC(=O)c1cc2c(OC[C@@]2(C)c2ccccc2)c(c1)C(=O)NC |r|
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n/an/a 1.60n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human BRDT BD2 (250 to 382 residues) expressed in bacterial expression system by bromoscan assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00344
BindingDB Entry DOI: 10.7270/Q2S46WSG
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50576438
PNG
(CHEMBL4869149)
Show SMILES [H][C@@]12C[C@@H](O)C[C@]1([H])[C@H]2NC(=O)c1cc2c(OC[C@@]2(C)c2ccccc2)c(c1)C(=O)NC |r|
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n/an/a 2.5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human BRD2 BD2 (348 to 455 residues) expressed in bacterial expression system by bromoscan assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00344
BindingDB Entry DOI: 10.7270/Q2S46WSG
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50576449
PNG
(CHEMBL4853098)
Show SMILES CNC(=O)c1cc(cc2[C@@H](COc12)c1ccccc1)C(=O)Nc1cnn(C)c1 |r|
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n/an/a 5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of 6His-Thr-BRD4 (1 to 477 residues) BD2 domain Y390A mutant (unknown origin) incubated for 30 mins by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00344
BindingDB Entry DOI: 10.7270/Q2S46WSG
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50576462
PNG
(CHEMBL4874566)
Show SMILES [H][C@@]12COC[C@]1([H])[C@H]2NC(=O)c1cc2[C@@H](COc2c(c1)C(=O)NC)c1cccc2[nH]ccc12 |r|
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n/an/a 6.30n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of 6His-Thr-BRD4 (1 to 477 residues) BD2 domain Y390A mutant (unknown origin) incubated for 30 mins by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00344
BindingDB Entry DOI: 10.7270/Q2S46WSG
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50576438
PNG
(CHEMBL4869149)
Show SMILES [H][C@@]12C[C@@H](O)C[C@]1([H])[C@H]2NC(=O)c1cc2c(OC[C@@]2(C)c2ccccc2)c(c1)C(=O)NC |r|
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n/an/a 6.30n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of 6His-Thr-BRD3 (1 to 435 residues) BD2 domain Y348A or Y73A mutant (unknown origin) incubated for 30 mins by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00344
BindingDB Entry DOI: 10.7270/Q2S46WSG
More data for this
Ligand-Target Pair
Bromodomain testis-specific protein


(Homo sapiens (Human))
BDBM50576438
PNG
(CHEMBL4869149)
Show SMILES [H][C@@]12C[C@@H](O)C[C@]1([H])[C@H]2NC(=O)c1cc2c(OC[C@@]2(C)c2ccccc2)c(c1)C(=O)NC |r|
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n/an/a 7.90n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of 6His-FLAG-Tev-BRDT (1 to 397 residues) BD2 domain Y309A or Y66A mutant (unknown origin) incubated for 30 mins by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00344
BindingDB Entry DOI: 10.7270/Q2S46WSG
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50576461
PNG
(CHEMBL4869239)
Show SMILES CNC(=O)c1cc(cc2[C@@H](COc12)c1cccc2[nH]ccc12)C(=O)NC1CC1 |r|
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TBA

Assay Description
Inhibition of 6His-Thr-BRD4 (1 to 477 residues) BD2 domain Y390A mutant (unknown origin) incubated for 30 mins by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00344
BindingDB Entry DOI: 10.7270/Q2S46WSG
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50576472
PNG
(CHEMBL4851227)
Show SMILES [H][C@@]12C[C@H](O)C[C@]1([H])[C@H]2NC(=O)c1cc2c(OC[C@@]2(C)c2ccccc2)c(c1)C(=O)NC |r|
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TBA

Assay Description
Inhibition of 6His-Thr-BRD4 (1 to 477 residues) BD2 domain Y390A mutant (unknown origin) incubated for 30 mins by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00344
BindingDB Entry DOI: 10.7270/Q2S46WSG
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50576438
PNG
(CHEMBL4869149)
Show SMILES [H][C@@]12C[C@@H](O)C[C@]1([H])[C@H]2NC(=O)c1cc2c(OC[C@@]2(C)c2ccccc2)c(c1)C(=O)NC |r|
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TBA

Assay Description
Inhibition of 6His-Thr-BRD2 (1 to 473 residues) BD2 domain Y386A or Y113A mutant (unknown origin) incubated for 30 mins by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00344
BindingDB Entry DOI: 10.7270/Q2S46WSG
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50576443
PNG
(CHEMBL4863270)
Show SMILES CNC(=O)c1cc(cc2[C@@H]([C@@H](CF)Oc12)c1ccccc1)C(=O)N[C@@H]1C[C@H]1C |r|
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TBA

Assay Description
Inhibition of 6His-Thr-BRD4 (1 to 477 residues) BD2 domain Y390A mutant (unknown origin) incubated for 30 mins by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00344
BindingDB Entry DOI: 10.7270/Q2S46WSG
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50576444
PNG
(CHEMBL4878167)
Show SMILES CNC(=O)c1cc(cc2[C@@H](COc12)c1ccccc1)C(=O)N[C@H]1C[C@@H]1C |r|
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TBA

Assay Description
Inhibition of 6His-Thr-BRD4 (1 to 477 residues) BD2 domain Y390A mutant (unknown origin) incubated for 30 mins by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00344
BindingDB Entry DOI: 10.7270/Q2S46WSG
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50576447
PNG
(CHEMBL4865372)
Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2NC(=O)c1cc2[C@@H](COc2c(c1)C(=O)NC)c1ccccc1)C(=O)CC |r|
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TBA

Assay Description
Inhibition of 6His-Thr-BRD4 (1 to 477 residues) BD2 domain Y390A mutant (unknown origin) incubated for 30 mins by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00344
BindingDB Entry DOI: 10.7270/Q2S46WSG
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50576438
PNG
(CHEMBL4869149)
Show SMILES [H][C@@]12C[C@@H](O)C[C@]1([H])[C@H]2NC(=O)c1cc2c(OC[C@@]2(C)c2ccccc2)c(c1)C(=O)NC |r|
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TBA

Assay Description
Inhibition of 6His-Thr-BRD4 (1 to 477 residues) BD2 domain Y390A mutant (unknown origin) incubated for 30 mins by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00344
BindingDB Entry DOI: 10.7270/Q2S46WSG
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50576446
PNG
(CHEMBL4852640)
Show SMILES [H][C@@]12C[C@@H](O)C[C@]1([H])[C@H]2NC(=O)c1cc2[C@@H](COc2c(c1)C(=O)NC)c1ccccc1 |r|
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TBA

Assay Description
Inhibition of 6His-Thr-BRD4 (1 to 477 residues) BD2 domain Y390A mutant (unknown origin) incubated for 30 mins by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00344
BindingDB Entry DOI: 10.7270/Q2S46WSG
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50576445
PNG
(CHEMBL4865232)
Show SMILES [H][C@@]12COC[C@]1([H])[C@H]2NC(=O)c1cc2[C@@H](COc2c(c1)C(=O)NC)c1ccccc1 |r|
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TBA

Assay Description
Inhibition of 6His-Thr-BRD4 (1 to 477 residues) BD2 domain Y390A mutant (unknown origin) incubated for 30 mins by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00344
BindingDB Entry DOI: 10.7270/Q2S46WSG
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50576448
PNG
(CHEMBL4856256)
Show SMILES CNC(=O)c1cc(cc2[C@@H](COc12)c1ccccc1)C(=O)NCCC[C@H]1OC[C@H](N)CO1 |r,wU:25.27,wD:9.14,28.31,(53.84,-48.76,;53.84,-50.3,;55.18,-51.07,;56.51,-50.29,;55.18,-52.61,;56.52,-53.37,;56.52,-54.92,;55.19,-55.69,;53.85,-54.92,;52.39,-55.4,;51.49,-54.15,;52.39,-52.91,;53.85,-53.38,;51.91,-56.86,;50.4,-57.18,;49.93,-58.64,;50.95,-59.79,;52.47,-59.46,;52.94,-57.99,;57.86,-55.69,;57.86,-57.23,;59.19,-54.91,;60.53,-55.69,;61.85,-54.91,;63.19,-55.68,;64.52,-54.91,;64.51,-53.37,;65.85,-52.61,;67.19,-53.37,;68.52,-52.61,;67.18,-54.91,;65.85,-55.68,)|
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TBA

Assay Description
Inhibition of 6His-Thr-BRD4 (1 to 477 residues) BD2 domain Y390A mutant (unknown origin) incubated for 30 mins by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00344
BindingDB Entry DOI: 10.7270/Q2S46WSG
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50576463
PNG
(CHEMBL4861313)
Show SMILES CNC(=O)c1cc(cc2[C@@H](COc12)c1cccc2[nH]ccc12)C(=O)NCCc1cnn(C)c1 |r|
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TBA

Assay Description
Inhibition of 6His-Thr-BRD4 (1 to 477 residues) BD2 domain Y390A mutant (unknown origin) incubated for 30 mins by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00344
BindingDB Entry DOI: 10.7270/Q2S46WSG
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50576439
PNG
(GSK973)
Show SMILES [H][C@@]12COC[C@]1([H])[C@H]2NC(=O)c1cc2[C@@H]([C@@H](CF)Oc2c(c1)C(=O)NC)c1ccccc1
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TBA

Assay Description
Inhibition of 6His-Thr-BRD4 (1 to 477 residues) BD1 domain (unknown origin) incubated for 30 mins by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00344
BindingDB Entry DOI: 10.7270/Q2S46WSG
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50576441
PNG
(CHEMBL4856150)
Show SMILES CNC(=O)c1cc2[C@@H](COc2c(c1)C(=O)NC)c1ccccc1 |r|
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TBA

Assay Description
Inhibition of 6His-Thr-BRD4 (1 to 477 residues) BD2 domain Y390A mutant (unknown origin) incubated for 30 mins by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00344
BindingDB Entry DOI: 10.7270/Q2S46WSG
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50576442
PNG
(CHEMBL4851125)
Show SMILES CNC(=O)c1cc(cc2[C@@H](COc12)c1ccccc1)C(=O)NC1CC1 |r|
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TBA

Assay Description
Inhibition of 6His-Thr-BRD4 (1 to 477 residues) BD2 domain Y390A mutant (unknown origin) incubated for 30 mins by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00344
BindingDB Entry DOI: 10.7270/Q2S46WSG
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50576459
PNG
(CHEMBL4847731)
Show SMILES [H][C@@]12COC[C@]1([H])[C@H]2NC(=O)c1cc2[C@@H](COc2c(c1)C(=O)NC)c1ccc(F)cc1 |r|
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TBA

Assay Description
Inhibition of 6His-Thr-BRD4 (1 to 477 residues) BD2 domain Y390A mutant (unknown origin) incubated for 30 mins by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00344
BindingDB Entry DOI: 10.7270/Q2S46WSG
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50543344
PNG
(CHEMBL4635048)
Show SMILES CNC(=O)c1cc(cc2[C@@H]([C@@H](CF)Oc12)c1ccccc1)C(=O)NCCC[C@H]1OC[C@H](N)CO1 |r,wU:10.10,27.29,wD:9.16,30.33,(54.22,-41,;54.23,-42.54,;55.57,-43.31,;56.9,-42.53,;55.58,-44.85,;56.91,-45.61,;56.92,-47.16,;55.58,-47.93,;54.24,-47.16,;52.78,-47.64,;51.88,-46.39,;50.34,-46.39,;49.57,-47.72,;52.78,-45.14,;54.25,-45.62,;52.3,-49.1,;50.8,-49.41,;50.32,-50.88,;51.35,-52.03,;52.87,-51.69,;53.34,-50.23,;58.25,-47.93,;58.26,-49.47,;59.59,-47.15,;60.92,-47.92,;62.26,-47.15,;63.59,-47.92,;64.92,-47.14,;64.9,-45.61,;66.24,-44.84,;67.58,-45.61,;68.92,-44.85,;67.57,-47.15,;66.24,-47.92,)|
Show InChI InChI=1S/C25H30FN3O5/c1-28-25(31)19-11-16(24(30)29-9-5-8-21-32-13-17(27)14-33-21)10-18-22(15-6-3-2-4-7-15)20(12-26)34-23(18)19/h2-4,6-7,10-11,17,20-22H,5,8-9,12-14,27H2,1H3,(H,28,31)(H,29,30)/t17-,20-,21-,22+/m1/s1
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TBA

Assay Description
Inhibition of 6His-Thr-BRD4 (1 to 477 residues) BD2 domain Y390A mutant (unknown origin) incubated for 30 mins by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00344
BindingDB Entry DOI: 10.7270/Q2S46WSG
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50576460
PNG
(CHEMBL4859207)
Show SMILES [H][C@@]12COC[C@]1([H])[C@H]2NC(=O)c1cc2[C@@H](COc2c(c1)C(=O)NC)c1ccccc1C |r|
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TBA

Assay Description
Inhibition of 6His-Thr-BRD4 (1 to 477 residues) BD2 domain Y390A mutant (unknown origin) incubated for 30 mins by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00344
BindingDB Entry DOI: 10.7270/Q2S46WSG
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50576469
PNG
(CHEMBL4847083)
Show SMILES CNC(=O)c1cc(cc2c1OC[C@@]2(C)c1ccccc1)C(=O)N[C@H]1C[C@@H]1C |r|
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TBA

Assay Description
Inhibition of 6His-Thr-BRD4 (1 to 477 residues) BD2 domain Y390A mutant (unknown origin) incubated for 30 mins by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00344
BindingDB Entry DOI: 10.7270/Q2S46WSG
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50576457
PNG
(CHEMBL4870787)
Show SMILES CNC(=O)c1cc(cc2[C@@H](COc12)c1cccc(F)c1)C(=O)NC1CC1 |r|
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TBA

Assay Description
Inhibition of 6His-Thr-BRD4 (1 to 477 residues) BD2 domain Y390A mutant (unknown origin) incubated for 30 mins by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00344
BindingDB Entry DOI: 10.7270/Q2S46WSG
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50543350
PNG
(CHEMBL4646186)
Show SMILES CNC(=O)c1cc(cc2[C@@H]([C@@H](CF)Oc12)c1ccccc1)C(=O)NC1CC1 |r|
Show InChI InChI=1S/C21H21FN2O3/c1-23-21(26)16-10-13(20(25)24-14-7-8-14)9-15-18(12-5-3-2-4-6-12)17(11-22)27-19(15)16/h2-6,9-10,14,17-18H,7-8,11H2,1H3,(H,23,26)(H,24,25)/t17-,18+/m1/s1
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TBA

Assay Description
Inhibition of 6His-Thr-BRD4 (1 to 477 residues) BD2 domain Y390A mutant (unknown origin) incubated for 30 mins by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00344
BindingDB Entry DOI: 10.7270/Q2S46WSG
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50576470
PNG
(CHEMBL4850119)
Show SMILES CNC(=O)c1cc(cc2c1OC[C@@]2(CO)c1ccccc1)C(=O)N[C@H]1C[C@@H]1C |r|
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TBA

Assay Description
Inhibition of 6His-Thr-BRD4 (1 to 477 residues) BD2 domain Y390A mutant (unknown origin) incubated for 30 mins by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00344
BindingDB Entry DOI: 10.7270/Q2S46WSG
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50576466
PNG
(CHEMBL4878419)
Show SMILES [H][C@@]12COC[C@]1([H])[C@H]2NC(=O)c1cc2c(OC[C@@]2(CC)c2ccccc2)c(c1)C(=O)NC |r|
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TBA

Assay Description
Inhibition of 6His-Thr-BRD4 (1 to 477 residues) BD2 domain Y390A mutant (unknown origin) incubated for 30 mins by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00344
BindingDB Entry DOI: 10.7270/Q2S46WSG
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50576465
PNG
(CHEMBL4876180)
Show SMILES [H][C@@]12COC[C@]1([H])[C@H]2NC(=O)c1cc2c(OC[C@@]2(CO)c2ccccc2)c(c1)C(=O)NC |r|
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TBA

Assay Description
Inhibition of 6His-Thr-BRD4 (1 to 477 residues) BD2 domain Y390A mutant (unknown origin) incubated for 30 mins by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00344
BindingDB Entry DOI: 10.7270/Q2S46WSG
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50576464
PNG
(CHEMBL4848969)
Show SMILES [H][C@@]12COC[C@]1([H])[C@H]2NC(=O)c1cc2c(OC[C@@]2(C)c2ccccc2)c(c1)C(=O)NC |r|
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TBA

Assay Description
Inhibition of 6His-Thr-BRD4 (1 to 477 residues) BD2 domain Y390A mutant (unknown origin) incubated for 30 mins by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00344
BindingDB Entry DOI: 10.7270/Q2S46WSG
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50576458
PNG
(CHEMBL4860384)
Show SMILES CNC(=O)c1cc(cc2[C@@H](COc12)c1ccc(F)cc1)C(=O)NC1CC1 |r|
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TBA

Assay Description
Inhibition of 6His-Thr-BRD4 (1 to 477 residues) BD2 domain Y390A mutant (unknown origin) incubated for 30 mins by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00344
BindingDB Entry DOI: 10.7270/Q2S46WSG
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50576456
PNG
(CHEMBL4871772)
Show SMILES [H][C@@]12COC[C@]1([H])[C@H]2NC(=O)c1cc2[C@@H](COc2c(c1)C(=O)NC)c1cccc(OC)c1 |r|
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TBA

Assay Description
Inhibition of 6His-Thr-BRD4 (1 to 477 residues) BD2 domain Y390A mutant (unknown origin) incubated for 30 mins by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00344
BindingDB Entry DOI: 10.7270/Q2S46WSG
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50543351
PNG
(CHEMBL4634507)
Show SMILES CNC(=O)c1cc2[C@@H]([C@@H](CF)Oc2c(c1)C(=O)NC)c1ccccc1 |r|
Show InChI InChI=1S/C19H19FN2O3/c1-21-18(23)12-8-13-16(11-6-4-3-5-7-11)15(10-20)25-17(13)14(9-12)19(24)22-2/h3-9,15-16H,10H2,1-2H3,(H,21,23)(H,22,24)/t15-,16+/m1/s1
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TBA

Assay Description
Inhibition of 6His-Thr-BRD4 (1 to 477 residues) BD2 domain Y390A mutant (unknown origin) incubated for 30 mins by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00344
BindingDB Entry DOI: 10.7270/Q2S46WSG
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50576455
PNG
(CHEMBL4848864)
Show SMILES CNC(=O)c1cc(cc2[C@@H](COc12)c1cccc(OC)c1)C(=O)NC1CC1 |r|
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TBA

Assay Description
Inhibition of 6His-Thr-BRD4 (1 to 477 residues) BD2 domain Y390A mutant (unknown origin) incubated for 30 mins by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00344
BindingDB Entry DOI: 10.7270/Q2S46WSG
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50576468
PNG
(CHEMBL4872067)
Show SMILES CNC(=O)c1cc(cc2c1OC[C@@]2(C)c1ccccc1)C(=O)NC1CC1 |r|
PDB

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TBA

Assay Description
Inhibition of 6His-Thr-BRD4 (1 to 477 residues) BD2 domain Y390A mutant (unknown origin) incubated for 30 mins by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00344
BindingDB Entry DOI: 10.7270/Q2S46WSG
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50576440
PNG
(CHEMBL4861298)
Show SMILES CNC(=O)c1cc(cc2[C@@H](COc12)c1ccccc1)C(N)=O |r|
PDB

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TBA

Assay Description
Inhibition of 6His-Thr-BRD4 (1 to 477 residues) BD2 domain Y390A mutant (unknown origin) incubated for 30 mins by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00344
BindingDB Entry DOI: 10.7270/Q2S46WSG
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50543359
PNG
(GSK620)
Show SMILES CNC(=O)c1cc(cn(Cc2ccccc2)c1=O)C(=O)NC1CC1
Show InChI InChI=1S/C18H19N3O3/c1-19-17(23)15-9-13(16(22)20-14-7-8-14)11-21(18(15)24)10-12-5-3-2-4-6-12/h2-6,9,11,14H,7-8,10H2,1H3,(H,19,23)(H,20,22)
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TBA

Assay Description
Inhibition of 6His-Thr-BRD4 (1 to 477 residues) BD1 domain (unknown origin) incubated for 30 mins by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00344
BindingDB Entry DOI: 10.7270/Q2S46WSG
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50576467
PNG
(CHEMBL4847788)
Show SMILES CNC(=O)c1cc2c(OC[C@@]2(C)c2ccccc2)c(c1)C(=O)NC |r|
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TBA

Assay Description
Inhibition of 6His-Thr-BRD4 (1 to 477 residues) BD2 domain Y390A mutant (unknown origin) incubated for 30 mins by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00344
BindingDB Entry DOI: 10.7270/Q2S46WSG
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50576450
PNG
(CHEMBL4856913)
Show SMILES CNC(=O)c1cc(cc2[C@@H](COc12)c1ccccc1)C(=O)NCCc1cnn(C)c1 |r|
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TBA

Assay Description
Inhibition of 6His-Thr-BRD4 (1 to 477 residues) BD2 domain Y390A mutant (unknown origin) incubated for 30 mins by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00344
BindingDB Entry DOI: 10.7270/Q2S46WSG
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50543352
PNG
(CHEMBL4649575)
Show SMILES CNC(=O)c1cc(cc2[C@@H]([C@@H](CF)Oc12)c1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C18H17FN2O3/c1-21-18(23)13-8-11(17(20)22)7-12-15(10-5-3-2-4-6-10)14(9-19)24-16(12)13/h2-8,14-15H,9H2,1H3,(H2,20,22)(H,21,23)/t14-,15+/m1/s1
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TBA

Assay Description
Inhibition of 6His-Thr-BRD4 (1 to 477 residues) BD2 domain Y390A mutant (unknown origin) incubated for 30 mins by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00344
BindingDB Entry DOI: 10.7270/Q2S46WSG
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50576454
PNG
(CHEMBL4865634)
Show SMILES [H][C@@]12COC[C@]1([H])[C@H]2NC(=O)c1cc2[C@@H](COc2c(c1)C(=O)NC)c1ccncc1 |r|
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TBA

Assay Description
Inhibition of 6His-Thr-BRD4 (1 to 477 residues) BD2 domain Y390A mutant (unknown origin) incubated for 30 mins by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00344
BindingDB Entry DOI: 10.7270/Q2S46WSG
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50576452
PNG
(CHEMBL4854786)
Show SMILES [H][C@@]12COC[C@]1([H])[C@H]2NC(=O)c1cc2[C@@H](COc2c(c1)C(=O)NC)c1ccccn1 |r|
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Assay Description
Inhibition of 6His-Thr-BRD4 (1 to 477 residues) BD2 domain Y390A mutant (unknown origin) incubated for 30 mins by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00344
BindingDB Entry DOI: 10.7270/Q2S46WSG
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50576451
PNG
(CHEMBL4852485)
Show SMILES [H][C@@]12COC[C@]1([H])[C@H]2NC(=O)c1cc2[C@@H](COc2c(c1)C(=O)NC)C1CCOCC1 |r|
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Assay Description
Inhibition of 6His-Thr-BRD4 (1 to 477 residues) BD2 domain Y390A mutant (unknown origin) incubated for 30 mins by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00344
BindingDB Entry DOI: 10.7270/Q2S46WSG
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50576453
PNG
(CHEMBL4858595)
Show SMILES [H][C@@]12COC[C@]1([H])[C@H]2NC(=O)c1cc2[C@@H](COc2c(c1)C(=O)NC)c1cccnc1 |r|
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Assay Description
Inhibition of 6His-Thr-BRD4 (1 to 477 residues) BD2 domain Y390A mutant (unknown origin) incubated for 30 mins by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00344
BindingDB Entry DOI: 10.7270/Q2S46WSG
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50576471
PNG
(CHEMBL4851898)
Show SMILES CNC(=O)c1cc(cc2c1OC[C@@]2(C)c1ccccc1)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:12.14,26.29,wD:23.25,(62.68,-21.5,;62.69,-23.04,;64.03,-23.81,;65.36,-23.03,;64.04,-25.35,;65.37,-26.11,;65.38,-27.66,;64.04,-28.43,;62.7,-27.66,;62.7,-26.12,;61.25,-25.65,;60.34,-26.89,;61.24,-28.13,;59.9,-28.9,;61.23,-29.67,;59.89,-30.43,;59.88,-31.97,;61.21,-32.75,;62.56,-31.98,;62.56,-30.44,;66.71,-28.43,;66.72,-29.97,;68.05,-27.66,;69.38,-28.42,;69.37,-29.96,;70.7,-30.74,;72.04,-29.97,;73.37,-30.75,;72.04,-28.43,;70.71,-27.65,)|
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TBA

Assay Description
Inhibition of 6His-Thr-BRD4 (1 to 477 residues) BD2 domain Y390A mutant (unknown origin) incubated for 30 mins by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00344
BindingDB Entry DOI: 10.7270/Q2S46WSG
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50576438
PNG
(CHEMBL4869149)
Show SMILES [H][C@@]12C[C@@H](O)C[C@]1([H])[C@H]2NC(=O)c1cc2c(OC[C@@]2(C)c2ccccc2)c(c1)C(=O)NC |r|
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n/an/a 3.16E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human BRD4 BD1 (44 to 168 residues) expressed in bacterial expression system by bromoscan assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00344
BindingDB Entry DOI: 10.7270/Q2S46WSG
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50576438
PNG
(CHEMBL4869149)
Show SMILES [H][C@@]12C[C@@H](O)C[C@]1([H])[C@H]2NC(=O)c1cc2c(OC[C@@]2(C)c2ccccc2)c(c1)C(=O)NC |r|
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n/an/a 3.98E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human BRD3 BD1 (24 to 144 residues) expressed in bacterial expression system by bromoscan assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00344
BindingDB Entry DOI: 10.7270/Q2S46WSG
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50576467
PNG
(CHEMBL4847788)
Show SMILES CNC(=O)c1cc2c(OC[C@@]2(C)c2ccccc2)c(c1)C(=O)NC |r|
PDB

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n/an/a 5.01E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of 6His-Thr-BRD4 (1 to 477 residues) BD1 domain (unknown origin) incubated for 30 mins by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00344
BindingDB Entry DOI: 10.7270/Q2S46WSG
More data for this
Ligand-Target Pair
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