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Compile Data Set for Download or QSAR

Found 386 hits with Last Name = 'lucas' and Initial = 'scc'   
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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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
Chromatin remodeling regulator CECR2


(Homo sapiens (Human))
BDBM50514856
PNG
(CHEMBL4465880)
Show SMILES CN1CCc2c(C1)nnn2CC(=O)Nc1ccc(Br)c(c1)S(=O)(=O)N1CC[C@@H](C1)C1CC1 |r|
Show InChI InChI=1S/C21H27BrN6O3S/c1-26-8-7-19-18(12-26)24-25-28(19)13-21(29)23-16-4-5-17(22)20(10-16)32(30,31)27-9-6-15(11-27)14-2-3-14/h4-5,10,14-15H,2-3,6-9,11-13H2,1H3,(H,23,29)/t15-/m0/s1
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University of Strathclyde

Curated by ChEMBL


Assay Description
Displacement of Alexa Fluor 647-labeled GSK tracer from FLAG-6His-Tev-fused CECR2 (424 to 543 residue) (unknown origin) measured after 15 mins by TR-...


J Med Chem 63: 5212-5241 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00021
BindingDB Entry DOI: 10.7270/Q2RN3C7T
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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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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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 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))
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))
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 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))
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))
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))
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))
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))
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))
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
Chromatin remodeling regulator CECR2


(Homo sapiens (Human))
BDBM50514858
PNG
(CHEMBL4577486)
Show SMILES CN1CCc2c(C1)nnn2CC(=O)Nc1ccc(Cl)c(c1)S(=O)(=O)N1CC[C@@H](C1)C1CC1 |r|
Show InChI InChI=1S/C21H27ClN6O3S/c1-26-8-7-19-18(12-26)24-25-28(19)13-21(29)23-16-4-5-17(22)20(10-16)32(30,31)27-9-6-15(11-27)14-2-3-14/h4-5,10,14-15H,2-3,6-9,11-13H2,1H3,(H,23,29)/t15-/m0/s1
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University of Strathclyde

Curated by ChEMBL


Assay Description
Displacement of Alexa Fluor 647-labeled GSK tracer from FLAG-6His-Tev-fused CECR2 (424 to 543 residue) (unknown origin) measured after 15 mins by TR-...


J Med Chem 63: 5212-5241 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00021
BindingDB Entry DOI: 10.7270/Q2RN3C7T
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))
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))
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))
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))
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
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50514871
PNG
(CHEMBL4576280)
Show SMILES C[C@@H]1CN(C[C@H]1C)S(=O)(=O)c1cc(NC(=O)CN2C(=O)NC(C)(C3CC3)C2=O)ccc1Br |r|
Show InChI InChI=1S/C21H27BrN4O5S/c1-12-9-25(10-13(12)2)32(30,31)17-8-15(6-7-16(17)22)23-18(27)11-26-19(28)21(3,14-4-5-14)24-20(26)29/h6-8,12-14H,4-5,9-11H2,1-3H3,(H,23,27)(H,24,29)/t12-,13-,21?/m1/s1
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University of Strathclyde

Curated by ChEMBL


Assay Description
Displacement of Alexa Fluor 488-labeled ligand from FLAG-6His-Tev-fused ATAD2 (981 to 1121 residue) (unknown origin) measured after 30 mins by TR-FRE...


J Med Chem 63: 5212-5241 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00021
BindingDB Entry DOI: 10.7270/Q2RN3C7T
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))
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))
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))
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
ATPase family AAA domain-containing protein 2


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

Curated by ChEMBL


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


J Med Chem 62: 7506-7525 (2019)


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


(Homo sapiens (Human))
BDBM50514896
PNG
(CHEMBL4514362)
Show SMILES CC(C)N1CCc2c(C1)nnn2CC(=O)Nc1ccc(Br)c(c1)S(=O)(=O)N1CC[C@H](C)C1 |r|
Show InChI InChI=1S/C21H29BrN6O3S/c1-14(2)26-8-7-19-18(12-26)24-25-28(19)13-21(29)23-16-4-5-17(22)20(10-16)32(30,31)27-9-6-15(3)11-27/h4-5,10,14-15H,6-9,11-13H2,1-3H3,(H,23,29)/t15-/m0/s1
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University of Strathclyde

Curated by ChEMBL


Assay Description
Displacement of Alexa Fluor 647-labeled GSK tracer from FLAG-6His-Tev-fused CECR2 (424 to 543 residue) (unknown origin) measured after 15 mins by TR-...


J Med Chem 63: 5212-5241 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00021
BindingDB Entry DOI: 10.7270/Q2RN3C7T
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
Chromatin remodeling regulator CECR2


(Homo sapiens (Human))
BDBM50514853
PNG
(CHEMBL4557734)
Show SMILES CN1CCc2c(C1)nnn2CC(=O)Nc1ccc(Br)c(c1)S(=O)(=O)N1CC[C@H](C1)C1CC1 |r|
Show InChI InChI=1S/C21H27BrN6O3S/c1-26-8-7-19-18(12-26)24-25-28(19)13-21(29)23-16-4-5-17(22)20(10-16)32(30,31)27-9-6-15(11-27)14-2-3-14/h4-5,10,14-15H,2-3,6-9,11-13H2,1H3,(H,23,29)/t15-/m1/s1
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University of Strathclyde

Curated by ChEMBL


Assay Description
Displacement of Alexa Fluor 647-labeled GSK tracer from FLAG-6His-Tev-fused CECR2 (424 to 543 residue) (unknown origin) measured after 15 mins by TR-...


J Med Chem 63: 5212-5241 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00021
BindingDB Entry DOI: 10.7270/Q2RN3C7T
More data for this
Ligand-Target Pair
Chromatin remodeling regulator CECR2


(Homo sapiens (Human))
BDBM50514856
PNG
(CHEMBL4465880)
Show SMILES CN1CCc2c(C1)nnn2CC(=O)Nc1ccc(Br)c(c1)S(=O)(=O)N1CC[C@@H](C1)C1CC1 |r|
Show InChI InChI=1S/C21H27BrN6O3S/c1-26-8-7-19-18(12-26)24-25-28(19)13-21(29)23-16-4-5-17(22)20(10-16)32(30,31)27-9-6-15(11-27)14-2-3-14/h4-5,10,14-15H,2-3,6-9,11-13H2,1H3,(H,23,29)/t15-/m0/s1
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University of Strathclyde

Curated by ChEMBL


Assay Description
Inhibition of BSP-BODIPY binding to Nanoluc-tagged CECR2 (unknown origin) expressed in HEK293 cells measured after 4 to 6 hrs by NanoBRET assay


J Med Chem 63: 5212-5241 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00021
BindingDB Entry DOI: 10.7270/Q2RN3C7T
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|
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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
Chromatin remodeling regulator CECR2


(Homo sapiens (Human))
BDBM50514858
PNG
(CHEMBL4577486)
Show SMILES CN1CCc2c(C1)nnn2CC(=O)Nc1ccc(Cl)c(c1)S(=O)(=O)N1CC[C@@H](C1)C1CC1 |r|
Show InChI InChI=1S/C21H27ClN6O3S/c1-26-8-7-19-18(12-26)24-25-28(19)13-21(29)23-16-4-5-17(22)20(10-16)32(30,31)27-9-6-15(11-27)14-2-3-14/h4-5,10,14-15H,2-3,6-9,11-13H2,1H3,(H,23,29)/t15-/m0/s1
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University of Strathclyde

Curated by ChEMBL


Assay Description
Inhibition of BSP-BODIPY binding to Nanoluc-tagged CECR2 (unknown origin) expressed in HEK293 cells measured after 4 to 6 hrs by NanoBRET assay


J Med Chem 63: 5212-5241 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00021
BindingDB Entry DOI: 10.7270/Q2RN3C7T
More data for this
Ligand-Target Pair
Chromatin remodeling regulator CECR2


(Homo sapiens (Human))
BDBM50514878
PNG
(CHEMBL4518862)
Show SMILES CCN1CCc2c(C1)nnn2CC(=O)Nc1ccc(Br)c(c1)S(=O)(=O)N1CC[C@H](C)C1 |r|
Show InChI InChI=1S/C20H27BrN6O3S/c1-3-25-8-7-18-17(12-25)23-24-27(18)13-20(28)22-15-4-5-16(21)19(10-15)31(29,30)26-9-6-14(2)11-26/h4-5,10,14H,3,6-9,11-13H2,1-2H3,(H,22,28)/t14-/m0/s1
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University of Strathclyde

Curated by ChEMBL


Assay Description
Displacement of Alexa Fluor 647-labeled GSK tracer from FLAG-6His-Tev-fused CECR2 (424 to 543 residue) (unknown origin) measured after 15 mins by TR-...


J Med Chem 63: 5212-5241 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00021
BindingDB Entry DOI: 10.7270/Q2RN3C7T
More data for this
Ligand-Target Pair
Chromatin remodeling regulator CECR2


(Homo sapiens (Human))
BDBM50514877
PNG
(CHEMBL4437578)
Show SMILES C[C@H]1CCN(C1)S(=O)(=O)c1cc(NC(=O)Cn2nnc3CN(C)CCc23)ccc1Br |r|
Show InChI InChI=1S/C19H25BrN6O3S/c1-13-5-8-25(10-13)30(28,29)18-9-14(3-4-15(18)20)21-19(27)12-26-17-6-7-24(2)11-16(17)22-23-26/h3-4,9,13H,5-8,10-12H2,1-2H3,(H,21,27)/t13-/m0/s1
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University of Strathclyde

Curated by ChEMBL


Assay Description
Displacement of Alexa Fluor 647-labeled GSK tracer from FLAG-6His-Tev-fused CECR2 (424 to 543 residue) (unknown origin) measured after 15 mins by TR-...


J Med Chem 63: 5212-5241 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00021
BindingDB Entry DOI: 10.7270/Q2RN3C7T
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|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 50n/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
Chromatin remodeling regulator CECR2


(Homo sapiens (Human))
BDBM50514873
PNG
(CHEMBL4436652)
Show SMILES C[C@H]1CCN(C1)S(=O)(=O)c1cc(NC(=O)Cn2c3ccccc3oc2=O)ccc1Br |r|
Show InChI InChI=1S/C20H20BrN3O5S/c1-13-8-9-23(11-13)30(27,28)18-10-14(6-7-15(18)21)22-19(25)12-24-16-4-2-3-5-17(16)29-20(24)26/h2-7,10,13H,8-9,11-12H2,1H3,(H,22,25)/t13-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 63n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Displacement of Alexa Fluor 647-labeled GSK tracer from FLAG-6His-Tev-fused CECR2 (424 to 543 residue) (unknown origin) measured after 15 mins by TR-...


J Med Chem 63: 5212-5241 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00021
BindingDB Entry DOI: 10.7270/Q2RN3C7T
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50514857
PNG
(CHEMBL4449894)
Show SMILES C[C@H]1CCN(C1)S(=O)(=O)c1cc(NC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)ccc1Br |r|
Show InChI InChI=1S/C20H25BrN4O5S/c1-12-7-8-24(10-12)31(29,30)16-9-14(5-6-15(16)21)22-17(26)11-25-18(27)20(2,13-3-4-13)23-19(25)28/h5-6,9,12-13H,3-4,7-8,10-11H2,1-2H3,(H,22,26)(H,23,28)/t12-,20-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 63n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Displacement of Alexa Fluor 488-labeled ligand from FLAG-6His-Tev-fused ATAD2 (981 to 1121 residue) (unknown origin) measured after 30 mins by TR-FRE...


J Med Chem 63: 5212-5241 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00021
BindingDB Entry DOI: 10.7270/Q2RN3C7T
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

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 63n/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
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