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Compile Data Set for Download or QSAR

Found 101 hits Enz. Inhib. hit(s) with all data for entry = 50013497   
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))
BDBM50566679
PNG
(CHEMBL4846199)
Show SMILES [H][C@@]12COC[C@]1([H])[C@H]2NC(=O)c1cc(Cc2cccc3[nH]ccc23)nc(c1)C(=O)NC |r|
PDB

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UniChem
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n/an/a 10n/an/an/an/an/an/a


TBA

Assay Description
Displacement of Alexa Fluor 647 labelled ligand from 6His-Thr tagged BRD4 BD2/BD1 Y97A mutant (1 to 477 residue) (unknown origin) measured after 30 m...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02155
BindingDB Entry DOI: 10.7270/Q2JH3QXP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50566686
PNG
(CHEMBL4873182)
Show SMILES [H][C@@]12COC[C@]1([H])[C@H]2NC(=O)c1cc(nc(c1)C(=O)NC)[C@@H](C)c1ccccc1 |r|
PDB

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n/an/a 10n/an/an/an/an/an/a


TBA

Assay Description
Displacement of Alexa Fluor 647 labelled ligand from 6His-Thr tagged BRD4 BD2/BD1 Y97A mutant (1 to 477 residue) (unknown origin) measured after 30 m...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02155
BindingDB Entry DOI: 10.7270/Q2JH3QXP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50566697
PNG
(CHEMBL4862372)
Show SMILES CNC(=O)c1cc(cc(n1)C(O)c1ccccc1)C(=O)N[C@H]1C[C@@H]1C |r|
PDB

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UniProtKB/SwissProt

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n/an/a 10n/an/an/an/an/an/a


TBA

Assay Description
Displacement of Alexa Fluor 647 labelled ligand from 6His-Thr tagged BRD3 BD2/BD1 Y73A mutant (1 to 435 residues) (unknown origin) measured after 30 ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02155
BindingDB Entry DOI: 10.7270/Q2JH3QXP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50566697
PNG
(CHEMBL4862372)
Show SMILES CNC(=O)c1cc(cc(n1)C(O)c1ccccc1)C(=O)N[C@H]1C[C@@H]1C |r|
PDB

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n/an/a 13n/an/an/an/an/an/a


TBA

Assay Description
Displacement of Alexa Fluor 647 labelled ligand from 6His-Thr tagged BRD4 BD2/BD1 Y97A mutant (1 to 477 residue) (unknown origin) measured after 30 m...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02155
BindingDB Entry DOI: 10.7270/Q2JH3QXP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50544335
PNG
(CHEMBL4648431)
Show SMILES CNC(=O)c1cc(cn(Cc2cccc3[nH]ccc23)c1=O)C(=O)NC1CC1
Show InChI InChI=1S/C20H20N4O3/c1-21-19(26)16-9-13(18(25)23-14-5-6-14)11-24(20(16)27)10-12-3-2-4-17-15(12)7-8-22-17/h2-4,7-9,11,14,22H,5-6,10H2,1H3,(H,21,26)(H,23,25)
PDB

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TBA

Assay Description
Displacement of Alexa Fluor 647 labelled ligand from 6His-Thr tagged BRD4 BD2/BD1 Y97A mutant (1 to 477 residue) (unknown origin) measured after 30 m...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02155
BindingDB Entry DOI: 10.7270/Q2JH3QXP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50566685
PNG
(CHEMBL4860220)
Show SMILES CNC(=O)c1cc(cc(n1)[C@@H](C)c1ccccc1)C(=O)NC1CC1 |r|
PDB

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TBA

Assay Description
Displacement of Alexa Fluor 647 labelled ligand from 6His-Thr tagged BRD4 BD2/BD1 Y97A mutant (1 to 477 residue) (unknown origin) measured after 30 m...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02155
BindingDB Entry DOI: 10.7270/Q2JH3QXP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50566687
PNG
(CHEMBL4865699)
Show SMILES [H][C@@]12C[C@H](O)C[C@]1([H])[C@H]2NC(=O)c1cc(nc(c1)C(=O)NC)[C@@H](C)c1ccccc1 |r|
PDB

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n/an/a 20n/an/an/an/an/an/a


TBA

Assay Description
Displacement of Alexa Fluor 647 labelled ligand from 6His-Thr tagged BRD4 BD2/BD1 Y97A mutant (1 to 477 residue) (unknown origin) measured after 30 m...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02155
BindingDB Entry DOI: 10.7270/Q2JH3QXP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50566695
PNG
(CHEMBL4846439)
Show SMILES CNC(=O)c1cc(cc(n1)C(CC#N)c1ccccc1)C(=O)N[C@H]1C[C@@H]1C |r|
PDB

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TBA

Assay Description
Displacement of Alexa Fluor 647 labelled ligand from 6His-Thr tagged BRD4 BD2/BD1 Y97A mutant (1 to 477 residue) (unknown origin) measured after 30 m...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02155
BindingDB Entry DOI: 10.7270/Q2JH3QXP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50566690
PNG
(CHEMBL4863255)
Show SMILES [H][C@@]12COC[C@]1([H])[C@H]2NC(=O)c1cc(nc(c1)C(=O)NC)C(O)c1ccccc1 |r|
PDB

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TBA

Assay Description
Displacement of Alexa Fluor 647 labelled ligand from 6His-Thr tagged BRD4 BD2/BD1 Y97A mutant (1 to 477 residue) (unknown origin) measured after 30 m...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02155
BindingDB Entry DOI: 10.7270/Q2JH3QXP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50566693
PNG
(CHEMBL4857098)
Show SMILES [H][C@@]12C[C@@H](O)C[C@]1([H])[C@H]2NC(=O)c1cc(nc(c1)C(=O)NC)C(OC)c1ccccc1 |r|
PDB

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n/an/a 25n/an/an/an/an/an/a


TBA

Assay Description
Displacement of Alexa Fluor 647 labelled ligand from 6His-Thr tagged BRD4 BD2/BD1 Y97A mutant (1 to 477 residue) (unknown origin) measured after 30 m...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02155
BindingDB Entry DOI: 10.7270/Q2JH3QXP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50566691
PNG
(CHEMBL4850783)
Show SMILES CNC(=O)c1cc(cc(n1)C(OC)c1ccccc1)C(=O)N[C@H]1C[C@@H]1C |r|
PDB

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n/an/a 25n/an/an/an/an/an/a


TBA

Assay Description
Displacement of Alexa Fluor 647 labelled ligand from 6His-Thr tagged BRD4 BD2/BD1 Y97A mutant (1 to 477 residue) (unknown origin) measured after 30 m...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02155
BindingDB Entry DOI: 10.7270/Q2JH3QXP
More data for this
Ligand-Target Pair
Bromodomain testis-specific protein


(Homo sapiens (Human))
BDBM50566697
PNG
(CHEMBL4862372)
Show SMILES CNC(=O)c1cc(cc(n1)C(O)c1ccccc1)C(=O)N[C@H]1C[C@@H]1C |r|
PDB
MMDB

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n/an/a 25n/an/an/an/an/an/a


TBA

Assay Description
Displacement of Alexa Fluor 647 labelled ligand from 6His-Thr tagged BRDT BD2/BD1 Y66A mutant (1 to 397 residues) (unknown origin) measured after 30 ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02155
BindingDB Entry DOI: 10.7270/Q2JH3QXP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50566677
PNG
(CHEMBL4863388)
Show SMILES CNC(=O)c1cc(cc(Cc2ccccc2)n1)C(=O)NCCC[C@H]1OC[C@H](N)CO1 |r,wU:23.24,wD:26.28,(11.17,-12.51,;9.83,-11.74,;8.5,-12.51,;7.17,-11.74,;8.5,-14.05,;9.83,-14.83,;9.83,-16.37,;8.5,-17.13,;7.17,-16.37,;5.84,-17.14,;4.5,-16.38,;4.51,-14.84,;3.17,-14.07,;1.84,-14.84,;1.85,-16.39,;3.18,-17.15,;7.17,-14.83,;11.16,-17.14,;11.16,-18.68,;12.5,-16.38,;13.83,-17.15,;15.16,-16.38,;16.5,-17.15,;17.83,-16.38,;17.82,-14.85,;19.17,-14.08,;20.5,-14.86,;21.84,-14.1,;20.49,-16.4,;19.16,-17.16,)|
PDB

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n/an/a 32n/an/an/an/an/an/a


TBA

Assay Description
Displacement of Alexa Fluor 647 labelled ligand from 6His-Thr tagged BRD4 BD2/BD1 Y97A mutant (1 to 477 residue) (unknown origin) measured after 30 m...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02155
BindingDB Entry DOI: 10.7270/Q2JH3QXP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50566696
PNG
(CHEMBL4867556)
Show SMILES [H][C@@]12COC[C@]1([H])[C@H]2NC(=O)c1cc(nc(c1)C(=O)NC)C(CC#N)c1ccccc1 |r|
PDB

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TBA

Assay Description
Displacement of Alexa Fluor 647 labelled ligand from 6His-Thr tagged BRD4 BD2/BD1 Y97A mutant (1 to 477 residue) (unknown origin) measured after 30 m...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02155
BindingDB Entry DOI: 10.7270/Q2JH3QXP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50566692
PNG
(CHEMBL4868170)
Show SMILES [H][C@@]12COC[C@]1([H])[C@H]2NC(=O)c1cc(nc(c1)C(=O)NC)C(OC)c1ccccc1 |r|
PDB

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TBA

Assay Description
Displacement of Alexa Fluor 647 labelled ligand from 6His-Thr tagged BRD4 BD2/BD1 Y97A mutant (1 to 477 residue) (unknown origin) measured after 30 m...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02155
BindingDB Entry DOI: 10.7270/Q2JH3QXP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50566678
PNG
(CHEMBL4861058)
Show SMILES CNC(=O)c1cc(cc(Cc2cccc3[nH]ccc23)n1)C(=O)NC1CC1
PDB

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TBA

Assay Description
Displacement of Alexa Fluor 647 labelled ligand from 6His-Thr tagged BRD4 BD2/BD1 Y97A mutant (1 to 477 residue) (unknown origin) measured after 30 m...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02155
BindingDB Entry DOI: 10.7270/Q2JH3QXP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50566694
PNG
(CHEMBL4877086)
Show SMILES CNC(=O)c1cc(cc(n1)C(CO)c1ccccc1)C(=O)N[C@H]1C[C@@H]1C |r|
PDB

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TBA

Assay Description
Displacement of Alexa Fluor 647 labelled ligand from 6His-Thr tagged BRD4 BD2/BD1 Y97A mutant (1 to 477 residue) (unknown origin) measured after 30 m...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02155
BindingDB Entry DOI: 10.7270/Q2JH3QXP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50566669
PNG
(CHEMBL4849578)
Show SMILES CNC(=O)c1cc(cc(Cc2ccccc2)n1)C(=O)N[C@H]1C[C@@H]1C |r|
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TBA

Assay Description
Displacement of Alexa Fluor 647 labelled ligand from 6His-Thr tagged BRD4 BD2/BD1 Y97A mutant (1 to 477 residue) (unknown origin) measured after 30 m...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02155
BindingDB Entry DOI: 10.7270/Q2JH3QXP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50566697
PNG
(CHEMBL4862372)
Show SMILES CNC(=O)c1cc(cc(n1)C(O)c1ccccc1)C(=O)N[C@H]1C[C@@H]1C |r|
PDB

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TBA

Assay Description
Displacement of Alexa Fluor 647 labelled ligand from 6His-Thr tagged BRD2 BD2/BD1 Y113A mutant (1 to 473 residues) (unknown origin) measured after 30...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02155
BindingDB Entry DOI: 10.7270/Q2JH3QXP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50566689
PNG
(CHEMBL4875717)
Show SMILES CNC(=O)c1cc(cc(n1)C(O)c1ccccc1)C(=O)NC1CC1
PDB

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TBA

Assay Description
Displacement of Alexa Fluor 647 labelled ligand from 6His-Thr tagged BRD4 BD2/BD1 Y97A mutant (1 to 477 residue) (unknown origin) measured after 30 m...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02155
BindingDB Entry DOI: 10.7270/Q2JH3QXP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50566681
PNG
(CHEMBL4854638)
Show SMILES CNC(=O)c1cc(cc(Cc2cccc3[nH]ccc23)n1)C(=O)N[C@H]1C[C@@H]1C |r|
PDB

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TBA

Assay Description
Displacement of Alexa Fluor 647 labelled ligand from 6His-Thr tagged BRD4 BD2/BD1 Y97A mutant (1 to 477 residue) (unknown origin) measured after 30 m...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02155
BindingDB Entry DOI: 10.7270/Q2JH3QXP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50566675
PNG
(CHEMBL4873988)
Show SMILES [H][C@@]12C[C@@H](O)C[C@]1([H])[C@H]2NC(=O)c1cc(Cc2ccccc2)nc(c1)C(=O)NC |r|
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TBA

Assay Description
Displacement of Alexa Fluor 647 labelled ligand from 6His-Thr tagged BRD4 BD2/BD1 Y97A mutant (1 to 477 residue) (unknown origin) measured after 30 m...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02155
BindingDB Entry DOI: 10.7270/Q2JH3QXP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50566676
PNG
(CHEMBL4852357)
Show SMILES [H][C@@]12C[C@H](O)C[C@]1([H])[C@H]2NC(=O)c1cc(Cc2ccccc2)nc(c1)C(=O)NC |r|
PDB

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TBA

Assay Description
Displacement of Alexa Fluor 647 labelled ligand from 6His-Thr tagged BRD4 BD2/BD1 Y97A mutant (1 to 477 residue) (unknown origin) measured after 30 m...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02155
BindingDB Entry DOI: 10.7270/Q2JH3QXP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50566674
PNG
(CHEMBL4861542)
Show SMILES [H][C@@]12COC[C@]1([H])[C@H]2NC(=O)c1cc(Cc2ccccc2)nc(c1)C(=O)NC |r|
PDB

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TBA

Assay Description
Displacement of Alexa Fluor 647 labelled ligand from 6His-Thr tagged BRD4 BD2/BD1 Y97A mutant (1 to 477 residue) (unknown origin) measured after 30 m...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02155
BindingDB Entry DOI: 10.7270/Q2JH3QXP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50544300
PNG
(GSK046)
Show SMILES C[C@H](Oc1cc(cc(F)c1NC(C)=O)C(=O)N[C@H]1CC[C@H](O)CC1)c1ccccc1 |wU:20.21,1.0,wD:17.17,(8.38,-8.55,;8.38,-7.03,;9.68,-6.27,;11.08,-7.03,;11.08,-8.55,;12.38,-9.42,;13.78,-8.55,;13.78,-7.03,;15.08,-6.27,;12.38,-6.27,;12.38,-4.64,;13.78,-3.88,;15.08,-4.64,;13.78,-2.36,;12.38,-10.94,;11.08,-11.7,;13.78,-11.7,;15.08,-10.94,;16.48,-11.7,;17.78,-10.94,;17.78,-9.42,;19.07,-8.55,;16.48,-8.55,;15.08,-9.42,;6.98,-6.27,;6.98,-4.64,;5.69,-3.88,;4.28,-4.64,;4.28,-6.27,;5.69,-7.03,)|
Show InChI InChI=1S/C23H27FN2O4/c1-14(16-6-4-3-5-7-16)30-21-13-17(12-20(24)22(21)25-15(2)27)23(29)26-18-8-10-19(28)11-9-18/h3-7,12-14,18-19,28H,8-11H2,1-2H3,(H,25,27)(H,26,29)/t14-,18-,19-/m0/s1
PDB

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n/an/a 50n/an/an/an/an/an/a


TBA

Assay Description
Displacement of Alexa Fluor 647 labelled ligand from 6His-Thr tagged BRD4 BD2/BD1 Y97A mutant (1 to 477 residue) (unknown origin) measured after 30 m...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02155
BindingDB Entry DOI: 10.7270/Q2JH3QXP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50566688
PNG
(CHEMBL4858519)
Show SMILES [H][C@@]12C[C@@H](O)C[C@]1([H])[C@H]2NC(=O)c1cc(nc(c1)C(=O)NC)[C@@H](C)c1ccccc1 |r|
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TBA

Assay Description
Displacement of Alexa Fluor 647 labelled ligand from 6His-Thr tagged BRD4 BD2/BD1 Y97A mutant (1 to 477 residue) (unknown origin) measured after 30 m...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02155
BindingDB Entry DOI: 10.7270/Q2JH3QXP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50566666
PNG
(CHEMBL4867905)
Show SMILES CCNC(=O)c1cc(Cc2ccccc2)nc(c1)C(=O)NC
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TBA

Assay Description
Displacement of Alexa Fluor 647 labelled ligand from 6His-Thr tagged BRD4 BD2/BD1 Y97A mutant (1 to 477 residue) (unknown origin) measured after 30 m...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02155
BindingDB Entry DOI: 10.7270/Q2JH3QXP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50566668
PNG
(CHEMBL4871681)
Show SMILES CNC(=O)c1cc(cc(Cc2ccccc2)n1)C(=O)NC1CC1
PDB

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TBA

Assay Description
Displacement of Alexa Fluor 647 labelled ligand from 6His-Thr tagged BRD4 BD2/BD1 Y97A mutant (1 to 477 residue) (unknown origin) measured after 30 m...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02155
BindingDB Entry DOI: 10.7270/Q2JH3QXP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50544310
PNG
(CHEMBL4644310)
Show SMILES CNC(=O)c1cc(cn([C@H](C)c2ccccc2)c1=O)C(=O)NC1CC1 |r|
Show InChI InChI=1S/C19H21N3O3/c1-12(13-6-4-3-5-7-13)22-11-14(17(23)21-15-8-9-15)10-16(19(22)25)18(24)20-2/h3-7,10-12,15H,8-9H2,1-2H3,(H,20,24)(H,21,23)/t12-/m1/s1
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TBA

Assay Description
Displacement of Alexa Fluor 647 labelled ligand from 6His-Thr tagged BRD4 BD2/BD1 Y97A mutant (1 to 477 residue) (unknown origin) measured after 30 m...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02155
BindingDB Entry DOI: 10.7270/Q2JH3QXP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50566680
PNG
(CHEMBL4849259)
Show SMILES Cl.CNC(=O)c1cc(cc(Cc2cccc3NCCc23)n1)C(=O)NC1CC1
PDB

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TBA

Assay Description
Displacement of Alexa Fluor 647 labelled ligand from 6His-Thr tagged BRD4 BD2/BD1 Y97A mutant (1 to 477 residue) (unknown origin) measured after 30 m...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02155
BindingDB Entry DOI: 10.7270/Q2JH3QXP
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
Displacement of Alexa Fluor 647 labelled ligand from 6His-Thr tagged BRD4 BD2/BD1 Y97A mutant (1 to 477 residue) (unknown origin) measured after 30 m...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02155
BindingDB Entry DOI: 10.7270/Q2JH3QXP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50566671
PNG
(CHEMBL4876311)
Show SMILES CNC(=O)c1cc(cc(Cc2ccccc2)n1)C(=O)N[C@H]1C[C@H](O)C1 |r,wU:22.24,wD:20.21,(10.83,-49.55,;9.49,-48.78,;8.16,-49.55,;6.82,-48.78,;8.16,-51.09,;9.49,-51.87,;9.49,-53.41,;8.16,-54.17,;6.83,-53.41,;5.5,-54.18,;4.16,-53.42,;4.17,-51.88,;2.83,-51.11,;1.5,-51.88,;1.5,-53.43,;2.84,-54.19,;6.83,-51.87,;10.82,-54.18,;10.82,-55.72,;12.15,-53.42,;13.49,-54.19,;13.88,-55.67,;15.37,-55.27,;16.7,-56.04,;14.97,-53.78,)|
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TBA

Assay Description
Displacement of Alexa Fluor 647 labelled ligand from 6His-Thr tagged BRD4 BD2/BD1 Y97A mutant (1 to 477 residue) (unknown origin) measured after 30 m...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02155
BindingDB Entry DOI: 10.7270/Q2JH3QXP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50566684
PNG
(CHEMBL4866464)
Show SMILES CNC(=O)c1cc(cc(n1)[C@H](C)c1ccccc1)C(=O)NC1CC1 |r|
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TBA

Assay Description
Displacement of Alexa Fluor 647 labelled ligand from 6His-Thr tagged BRD4 BD2/BD1 Y97A mutant (1 to 477 residue) (unknown origin) measured after 30 m...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02155
BindingDB Entry DOI: 10.7270/Q2JH3QXP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50566664
PNG
(CHEMBL4869589)
Show SMILES CNC(=O)c1cc(Cc2ccccc2)nc(c1)C(=O)NC
PDB

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n/an/a 126n/an/an/an/an/an/a


TBA

Assay Description
Displacement of Alexa Fluor 647 labelled ligand from 6His-Thr tagged BRD4 BD2/BD1 Y97A mutant (1 to 477 residue) (unknown origin) measured after 30 m...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02155
BindingDB Entry DOI: 10.7270/Q2JH3QXP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50566670
PNG
(CHEMBL4873232)
Show SMILES CNC(=O)c1cc(cc(Cc2ccccc2)n1)C(=O)NC1COC1
PDB

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TBA

Assay Description
Displacement of Alexa Fluor 647 labelled ligand from 6His-Thr tagged BRD4 BD2/BD1 Y97A mutant (1 to 477 residue) (unknown origin) measured after 30 m...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02155
BindingDB Entry DOI: 10.7270/Q2JH3QXP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50566682
PNG
(CHEMBL4869298)
Show SMILES CNC(=O)c1cc(cc(Cc2cccc3cn[nH]c23)n1)C(=O)NC1CC1
PDB

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TBA

Assay Description
Displacement of Alexa Fluor 647 labelled ligand from 6His-Thr tagged BRD4 BD2/BD1 Y97A mutant (1 to 477 residue) (unknown origin) measured after 30 m...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02155
BindingDB Entry DOI: 10.7270/Q2JH3QXP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50566672
PNG
(CHEMBL4860666)
Show SMILES CNC(=O)c1cc(cc(Cc2ccccc2)n1)C(=O)NC1CCOCC1
PDB

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n/an/a 316n/an/an/an/an/an/a


TBA

Assay Description
Displacement of Alexa Fluor 647 labelled ligand from 6His-Thr tagged BRD4 BD2/BD1 Y97A mutant (1 to 477 residue) (unknown origin) measured after 30 m...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02155
BindingDB Entry DOI: 10.7270/Q2JH3QXP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50566673
PNG
(CHEMBL4854196)
Show SMILES CNC(=O)c1cc(cc(Cc2ccccc2)n1)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:23.25,wD:20.21,(42.36,-49.18,;41.02,-48.41,;39.69,-49.18,;38.36,-48.41,;39.69,-50.72,;41.02,-51.5,;41.02,-53.04,;39.69,-53.8,;38.36,-53.04,;37.03,-53.81,;35.69,-53.04,;35.7,-51.5,;34.36,-50.74,;33.03,-51.51,;33.04,-53.06,;34.37,-53.82,;38.36,-51.5,;42.35,-53.81,;42.35,-55.35,;43.69,-53.04,;45.02,-53.81,;45.01,-55.35,;46.34,-56.12,;47.68,-55.36,;49.01,-56.14,;47.68,-53.82,;46.35,-53.04,)|
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TBA

Assay Description
Displacement of Alexa Fluor 647 labelled ligand from 6His-Thr tagged BRD4 BD2/BD1 Y97A mutant (1 to 477 residue) (unknown origin) measured after 30 m...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02155
BindingDB Entry DOI: 10.7270/Q2JH3QXP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50566663
PNG
(CHEMBL4854420)
Show SMILES CNC(=O)c1cc(cc(Cc2ccccc2)n1)C(N)=O
PDB

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n/an/a 501n/an/an/an/an/an/a


TBA

Assay Description
Displacement of Alexa Fluor 647 labelled ligand from 6His-Thr tagged BRD4 BD2/BD1 Y97A mutant (1 to 477 residue) (unknown origin) measured after 30 m...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02155
BindingDB Entry DOI: 10.7270/Q2JH3QXP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50566667
PNG
(CHEMBL4855380)
Show SMILES CNC(=O)c1cc(cc(Cc2ccccc2)n1)C(=O)NC(C)C
PDB

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n/an/a 794n/an/an/an/an/an/a


TBA

Assay Description
Displacement of Alexa Fluor 647 labelled ligand from 6His-Thr tagged BRD4 BD2/BD1 Y97A mutant (1 to 477 residue) (unknown origin) measured after 30 m...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02155
BindingDB Entry DOI: 10.7270/Q2JH3QXP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50566683
PNG
(CHEMBL4860153)
Show SMILES CNC(=O)c1cc(cn([C@@H](C)c2ccccc2)c1=O)C(=O)NC1CC1 |r|
PDB

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n/an/a 1.59E+3n/an/an/an/an/an/a


TBA

Assay Description
Displacement of Alexa Fluor 647 labelled ligand from 6His-Thr tagged BRD4 BD2/BD1 Y97A mutant (1 to 477 residue) (unknown origin) measured after 30 m...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02155
BindingDB Entry DOI: 10.7270/Q2JH3QXP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50546372
PNG
(CHEMBL4798618)
Show SMILES CC(=O)Nc1ccc(cc1OCc1ccccc1)C(=O)NCCc1cnc[nH]1
PDB

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n/an/a 3.16E+3n/an/an/an/an/an/a


TBA

Assay Description
Displacement of Alexa Fluor 647 labelled ligand from 6His-Thr tagged BRD4 BD2/BD1 Y97A mutant (1 to 477 residue) (unknown origin) measured after 30 m...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02155
BindingDB Entry DOI: 10.7270/Q2JH3QXP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50566661
PNG
(CHEMBL4867580)
Show SMILES CNC(=O)c1cccc(Cc2ccccc2)n1
PDB

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n/an/a 3.98E+3n/an/an/an/an/an/a


TBA

Assay Description
Displacement of Alexa Fluor 647 labelled ligand from 6His-Thr tagged BRD4 BD2/BD1 Y97A mutant (1 to 477 residue) (unknown origin) measured after 30 m...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02155
BindingDB Entry DOI: 10.7270/Q2JH3QXP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50544297
PNG
(CHEMBL4637442)
Show SMILES CNC(=O)c1ccc(=O)n(Cc2cc(Br)ccc2F)c1
Show InChI InChI=1S/C14H12BrFN2O2/c1-17-14(20)9-2-5-13(19)18(7-9)8-10-6-11(15)3-4-12(10)16/h2-7H,8H2,1H3,(H,17,20)
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n/an/a 7.94E+3n/an/an/an/an/an/a


TBA

Assay Description
Displacement of Alexa Fluor 647 labelled ligand from 6His-Thr tagged BRD4 BD2/BD1 Y97A mutant (1 to 477 residue) (unknown origin) measured after 30 m...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02155
BindingDB Entry DOI: 10.7270/Q2JH3QXP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50566685
PNG
(CHEMBL4860220)
Show SMILES CNC(=O)c1cc(cc(n1)[C@@H](C)c1ccccc1)C(=O)NC1CC1 |r|
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TBA

Assay Description
Displacement of Alexa Fluor 647 labelled ligand from 6His-Thr tagged BRD4 BD1/BD2 Y390A mutant (1 to 477 residue) (unknown origin) measured after 30 ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02155
BindingDB Entry DOI: 10.7270/Q2JH3QXP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50566684
PNG
(CHEMBL4866464)
Show SMILES CNC(=O)c1cc(cc(n1)[C@H](C)c1ccccc1)C(=O)NC1CC1 |r|
PDB

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n/an/a 1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Displacement of Alexa Fluor 647 labelled ligand from 6His-Thr tagged BRD4 BD1/BD2 Y390A mutant (1 to 477 residue) (unknown origin) measured after 30 ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02155
BindingDB Entry DOI: 10.7270/Q2JH3QXP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50544310
PNG
(CHEMBL4644310)
Show SMILES CNC(=O)c1cc(cn([C@H](C)c2ccccc2)c1=O)C(=O)NC1CC1 |r|
Show InChI InChI=1S/C19H21N3O3/c1-12(13-6-4-3-5-7-13)22-11-14(17(23)21-15-8-9-15)10-16(19(22)25)18(24)20-2/h3-7,10-12,15H,8-9H2,1-2H3,(H,20,24)(H,21,23)/t12-/m1/s1
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n/an/a 1.26E+4n/an/an/an/an/an/a


TBA

Assay Description
Displacement of Alexa Fluor 647 labelled ligand from 6His-Thr tagged BRD4 BD1/BD2 Y390A mutant (1 to 477 residue) (unknown origin) measured after 30 ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02155
BindingDB Entry DOI: 10.7270/Q2JH3QXP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50566666
PNG
(CHEMBL4867905)
Show SMILES CCNC(=O)c1cc(Cc2ccccc2)nc(c1)C(=O)NC
PDB

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n/an/a 1.26E+4n/an/an/an/an/an/a


TBA

Assay Description
Displacement of Alexa Fluor 647 labelled ligand from 6His-Thr tagged BRD4 BD1/BD2 Y390A mutant (1 to 477 residue) (unknown origin) measured after 30 ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02155
BindingDB Entry DOI: 10.7270/Q2JH3QXP
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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n/an/a 1.58E+4n/an/an/an/an/an/a


TBA

Assay Description
Displacement of Alexa Fluor 647 labelled ligand from 6His-Thr tagged BRD4 BD1/BD2 Y390A mutant (1 to 477 residue) (unknown origin) measured after 30 ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02155
BindingDB Entry DOI: 10.7270/Q2JH3QXP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50566671
PNG
(CHEMBL4876311)
Show SMILES CNC(=O)c1cc(cc(Cc2ccccc2)n1)C(=O)N[C@H]1C[C@H](O)C1 |r,wU:22.24,wD:20.21,(10.83,-49.55,;9.49,-48.78,;8.16,-49.55,;6.82,-48.78,;8.16,-51.09,;9.49,-51.87,;9.49,-53.41,;8.16,-54.17,;6.83,-53.41,;5.5,-54.18,;4.16,-53.42,;4.17,-51.88,;2.83,-51.11,;1.5,-51.88,;1.5,-53.43,;2.84,-54.19,;6.83,-51.87,;10.82,-54.18,;10.82,-55.72,;12.15,-53.42,;13.49,-54.19,;13.88,-55.67,;15.37,-55.27,;16.7,-56.04,;14.97,-53.78,)|
PDB

KEGG

UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
PDB
UniChem
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PubMed
n/an/a 1.58E+4n/an/an/an/an/an/a


TBA

Assay Description
Displacement of Alexa Fluor 647 labelled ligand from 6His-Thr tagged BRD4 BD1/BD2 Y390A mutant (1 to 477 residue) (unknown origin) measured after 30 ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02155
BindingDB Entry DOI: 10.7270/Q2JH3QXP
More data for this
Ligand-Target Pair
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