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Compile Data Set for Download or QSAR

Found 423 hits with Last Name = 'messenger' and Initial = 'c'   
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))
BDBM50572841
PNG
(CHEMBL4854203)
Show SMILES CCN(CC(c1ccccc1)c1ccccc1)C(=O)c1cc(C)c(=O)n(C)c1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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PC sid
UniChem
Article
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n/an/a 5n/an/an/an/an/an/a


TBA

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


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00412
BindingDB Entry DOI: 10.7270/Q2W099RP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50572846
PNG
(CHEMBL4878095)
Show SMILES COCC(COC)N(CC(c1ccccc1)c1ccccc1)C(=O)c1cc(C)c(=O)n(C)c1
PDB

KEGG

UniProtKB/SwissProt

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antibodypedia
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n/an/a 7.90n/an/an/an/an/an/a


TBA

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


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00412
BindingDB Entry DOI: 10.7270/Q2W099RP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50572839
PNG
(CHEMBL4857388)
Show SMILES CNC(=O)CN(CC(c1ccccc1)c1ccccc1)C(=O)c1cc(C)c(=O)n(C)c1
PDB

KEGG

UniProtKB/SwissProt

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n/an/a 7.90n/an/an/an/an/an/a


TBA

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


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00412
BindingDB Entry DOI: 10.7270/Q2W099RP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50572840
PNG
(CHEMBL4863889)
Show SMILES Cc1cc(cn(C)c1=O)C(=O)N(CC(c1ccccc1)c1ccccc1)CC(N)=O
PDB

KEGG

UniProtKB/SwissProt

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antibodypedia
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n/an/a 7.90n/an/an/an/an/an/a


TBA

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


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00412
BindingDB Entry DOI: 10.7270/Q2W099RP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50572865
PNG
(CHEMBL4869314)
Show SMILES CNC(=O)[C@@H](C1CCOCC1)N(CC(c1ccccc1)c1ccccn1)C(=O)c1cc(C)c(=O)n(C)c1 |r|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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UniChem
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n/an/a 7.90n/an/an/an/an/an/a


TBA

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


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00412
BindingDB Entry DOI: 10.7270/Q2W099RP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50572865
PNG
(CHEMBL4869314)
Show SMILES CNC(=O)[C@@H](C1CCOCC1)N(CC(c1ccccc1)c1ccccn1)C(=O)c1cc(C)c(=O)n(C)c1 |r|
PDB

KEGG

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n/an/a 7.94n/an/an/an/an/an/a


TBA

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


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00412
BindingDB Entry DOI: 10.7270/Q2W099RP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50572843
PNG
(CHEMBL4852030)
Show SMILES CC(C1CCCO1)N(CC(c1ccccc1)c1ccccc1)C(=O)c1cc(C)c(=O)n(C)c1
PDB

KEGG

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-tagged BRD4 BD2/BD1 Y97A mutant (1 to 477 residue) (unknown origin) measured after 30 mins ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00412
BindingDB Entry DOI: 10.7270/Q2W099RP
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

KEGG

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))
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

KEGG

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 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))
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

KEGG

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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))
BDBM50543349
PNG
(CHEMBL4640769)
Show SMILES CNC(=O)c1cc(cc2[C@@H]([C@@H](CF)Oc12)c1ccccc1)C(=O)N[C@H]1C[C@@H]1C |r|
Show InChI InChI=1S/C22H23FN2O3/c1-12-8-17(12)25-21(26)14-9-15-19(13-6-4-3-5-7-13)18(11-23)28-20(15)16(10-14)22(27)24-2/h3-7,9-10,12,17-19H,8,11H2,1-2H3,(H,24,27)(H,25,26)/t12-,17-,18+,19-/m0/s1
PDB

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



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of Alexa Fluor 647 labelled ligand from His6-tagged BRD4 BD2 (1 to 477 residues)/BD1 Y97A mutant (unknown origin) after 30 mins by TR-FR...


ACS Med Chem Lett 11: 1581-1587 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00247
BindingDB Entry DOI: 10.7270/Q279487V
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50543360
PNG
(CHEMBL4643660)
Show SMILES CNC(=O)c1cc(cc2[C@@H]([C@@H](C)Oc12)c1ccccc1)C(=O)NC1CC1 |r|
Show InChI InChI=1S/C21H22N2O3/c1-12-18(13-6-4-3-5-7-13)16-10-14(20(24)23-15-8-9-15)11-17(19(16)26-12)21(25)22-2/h3-7,10-12,15,18H,8-9H2,1-2H3,(H,22,25)(H,23,24)/t12-,18+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of Alexa Fluor 647 labelled ligand from His6-tagged BRD4 BD2 (1 to 477 residues)/BD1 Y97A mutant (unknown origin) after 30 mins by TR-FR...


ACS Med Chem Lett 11: 1581-1587 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00247
BindingDB Entry DOI: 10.7270/Q279487V
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50572842
PNG
(CHEMBL4878445)
Show SMILES CC(C#N)N(CC(c1ccccc1)c1ccccc1)C(=O)c1cc(C)c(=O)n(C)c1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 13n/an/an/an/an/an/a


TBA

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


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00412
BindingDB Entry DOI: 10.7270/Q2W099RP
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

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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PC cid
PC sid
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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))
BDBM50572876
PNG
(CHEMBL4846310)
Show SMILES CNC(=O)C(C1CCOC1)N(CC(c1ccccc1)c1ccccc1)C(=O)c1cc(C)c(=O)n(C)c1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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PC sid
UniChem
Article
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n/an/a 15.8n/an/an/an/an/an/a


TBA

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


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00412
BindingDB Entry DOI: 10.7270/Q2W099RP
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

KEGG

UniProtKB/SwissProt

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n/an/a 16n/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))
BDBM50544308
PNG
(CHEMBL4646820)
Show SMILES Cl.CNC(=O)c1cc(cn(Cc2ccccc2)c1=O)C(=O)NCCCC1CCCNC1
Show InChI InChI=1S/C23H30N4O3.ClH/c1-24-22(29)20-13-19(16-27(23(20)30)15-18-7-3-2-4-8-18)21(28)26-12-6-10-17-9-5-11-25-14-17;/h2-4,7-8,13,16-17,25H,5-6,9-12,14-15H2,1H3,(H,24,29)(H,26,28);1H
PDB

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n/an/a 16n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


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


J Med Chem 63: 9093-9126 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00796
BindingDB Entry DOI: 10.7270/Q27W6GS4
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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n/an/a 16n/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))
BDBM50543343
PNG
(CHEMBL4637298)
Show SMILES [H][C@@]12COC[C@]1([H])[C@@H]2NC(=O)c1cc2[C@@H]([C@@H](CF)Oc2c(c1)C(=O)NC)c1ccccc1 |r|
Show InChI InChI=1S/C23H23FN2O4/c1-25-23(28)15-8-13(22(27)26-20-16-10-29-11-17(16)20)7-14-19(12-5-3-2-4-6-12)18(9-24)30-21(14)15/h2-8,16-20H,9-11H2,1H3,(H,25,28)(H,26,27)/t16-,17+,18-,19+,20-/m1/s1
PDB

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n/an/a 16n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of Alexa Fluor 647 labelled ligand from His6-tagged BRD4 BD2 (1 to 477 residues)/BD1 Y97A mutant (unknown origin) after 30 mins by TR-FR...


ACS Med Chem Lett 11: 1581-1587 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00247
BindingDB Entry DOI: 10.7270/Q279487V
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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n/an/a 16n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


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


J Med Chem 63: 9093-9126 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00796
BindingDB Entry DOI: 10.7270/Q27W6GS4
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50572844
PNG
(CHEMBL4864072)
Show SMILES Cc1cc(cn(C)c1=O)C(=O)N(CCN1CCOCC1)CC(c1ccccc1)c1ccccc1
PDB

KEGG

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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-tagged BRD4 BD2/BD1 Y97A mutant (1 to 477 residue) (unknown origin) measured after 30 mins ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00412
BindingDB Entry DOI: 10.7270/Q2W099RP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50543348
PNG
(CHEMBL4647044)
Show SMILES CNC(=O)c1cc(cc2[C@@H]([C@@H](CF)Oc12)c1ccccc1)C(=O)N[C@@H]1C[C@H]1CO |r|
Show InChI InChI=1S/C22H23FN2O4/c1-24-22(28)16-8-13(21(27)25-17-9-14(17)11-26)7-15-19(12-5-3-2-4-6-12)18(10-23)29-20(15)16/h2-8,14,17-19,26H,9-11H2,1H3,(H,24,28)(H,25,27)/t14-,17+,18+,19-/m0/s1
PDB

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



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of Alexa Fluor 647 labelled ligand from His6-tagged BRD4 BD2 (1 to 477 residues)/BD1 Y97A mutant (unknown origin) after 30 mins by TR-FR...


ACS Med Chem Lett 11: 1581-1587 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00247
BindingDB Entry DOI: 10.7270/Q279487V
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50572870
PNG
(CHEMBL4858214)
Show SMILES CCC(N(CC(c1ccccc1)c1ccccc1)C(=O)c1cc(C)c(=O)n(C)c1)C(=O)NC
PDB

KEGG

UniProtKB/SwissProt

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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-tagged BRD4 BD2/BD1 Y97A mutant (1 to 477 residue) (unknown origin) measured after 30 mins ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00412
BindingDB Entry DOI: 10.7270/Q2W099RP
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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UniProtKB/SwissProt

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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))
BDBM50544309
PNG
(CHEMBL4641088)
Show SMILES CNC(=O)c1cc(cn(Cc2ccccc2)c1=O)C(=O)NCCCC1CNCCO1
Show InChI InChI=1S/C22H28N4O4/c1-23-21(28)19-12-17(15-26(22(19)29)14-16-6-3-2-4-7-16)20(27)25-9-5-8-18-13-24-10-11-30-18/h2-4,6-7,12,15,18,24H,5,8-11,13-14H2,1H3,(H,23,28)(H,25,27)
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GlaxoSmithKline

Curated by ChEMBL


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


J Med Chem 63: 9093-9126 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00796
BindingDB Entry DOI: 10.7270/Q27W6GS4
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50572869
PNG
(CHEMBL4867748)
Show SMILES CNC(=O)[C@@H](C)N(CC(c1ccccc1)c1ccccc1)C(=O)c1cc(C)c(=O)n(C)c1 |r|
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TBA

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


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00412
BindingDB Entry DOI: 10.7270/Q2W099RP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50572845
PNG
(CHEMBL4866132)
Show SMILES CC(CN1CCOCC1)N(CC(c1ccccc1)c1ccccc1)C(=O)c1cc(C)c(=O)n(C)c1
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TBA

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


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00412
BindingDB Entry DOI: 10.7270/Q2W099RP
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|
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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|
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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))
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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GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of Alexa Fluor 647 labelled ligand from His6-tagged BRD4 BD2 (1 to 477 residues)/BD1 Y97A mutant (unknown origin) after 30 mins by TR-FR...


ACS Med Chem Lett 11: 1581-1587 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00247
BindingDB Entry DOI: 10.7270/Q279487V
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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GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of Alexa Fluor 647 labelled ligand from His6-tagged BRD4 BD2 (1 to 477 residues)/BD1 Y97A mutant (unknown origin) after 30 mins by TR-FR...


ACS Med Chem Lett 11: 1581-1587 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00247
BindingDB Entry DOI: 10.7270/Q279487V
More data for this
Ligand-Target Pair
Bromodomain testis-specific protein


(Homo sapiens (Human))
BDBM50576427
PNG
(CHEMBL4865767)
Show SMILES CNC(=O)c1cc(C(=O)N[C@H]2CC[C@H](O)CC2)c(o1)[C@@H](C)c1ccccc1 |r,wU:10.9,19.21,wD:13.13,(37.7,-21.47,;37.72,-23.01,;39.06,-23.76,;40.13,-23.13,;39.09,-25.31,;40.34,-26.21,;39.89,-27.68,;40.8,-28.93,;40.3,-30.06,;42.33,-28.74,;43.08,-30.04,;44.58,-30.04,;45.33,-31.34,;44.58,-32.63,;45.33,-33.93,;43.08,-32.63,;42.33,-31.34,;38.35,-27.68,;37.84,-26.23,;37.45,-28.93,;38.07,-30.3,;35.91,-28.79,;35,-30.05,;33.47,-29.9,;32.83,-28.49,;33.73,-27.23,;35.27,-27.39,)|
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TBA

Assay Description
Binding affinity to 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.1c00365
BindingDB Entry DOI: 10.7270/Q21N84ZQ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50572868
PNG
(CHEMBL4860498)
Show SMILES CNC(=O)[C@H](C)N(CC(c1ccccc1)c1ccccc1)C(=O)c1cc(C)c(=O)n(C)c1 |r|
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TBA

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


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00412
BindingDB Entry DOI: 10.7270/Q2W099RP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50572872
PNG
(CHEMBL4865934)
Show SMILES CNC(=O)C(N(CC(c1ccccc1)c1ccccc1)C(=O)c1cc(C)c(=O)n(C)c1)C(C)(C)C
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TBA

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


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00412
BindingDB Entry DOI: 10.7270/Q2W099RP
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|
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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))
BDBM50572867
PNG
(CHEMBL4869378)
Show SMILES CNC(=O)C(C)N(CC(c1ccccc1)c1ccccc1)C(=O)c1cc(C)c(=O)n(C)c1
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TBA

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


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00412
BindingDB Entry DOI: 10.7270/Q2W099RP
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|
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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))
BDBM50566691
PNG
(CHEMBL4850783)
Show SMILES CNC(=O)c1cc(cc(n1)C(OC)c1ccccc1)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 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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GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of Alexa Fluor 647 labelled ligand from His6-tagged BRD4 BD2 (1 to 477 residues)/BD1 Y97A mutant (unknown origin) after 30 mins by TR-FR...


ACS Med Chem Lett 11: 1581-1587 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00247
BindingDB Entry DOI: 10.7270/Q279487V
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,)|
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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 3


(Homo sapiens (Human))
BDBM50576427
PNG
(CHEMBL4865767)
Show SMILES CNC(=O)c1cc(C(=O)N[C@H]2CC[C@H](O)CC2)c(o1)[C@@H](C)c1ccccc1 |r,wU:10.9,19.21,wD:13.13,(37.7,-21.47,;37.72,-23.01,;39.06,-23.76,;40.13,-23.13,;39.09,-25.31,;40.34,-26.21,;39.89,-27.68,;40.8,-28.93,;40.3,-30.06,;42.33,-28.74,;43.08,-30.04,;44.58,-30.04,;45.33,-31.34,;44.58,-32.63,;45.33,-33.93,;43.08,-32.63,;42.33,-31.34,;38.35,-27.68,;37.84,-26.23,;37.45,-28.93,;38.07,-30.3,;35.91,-28.79,;35,-30.05,;33.47,-29.9,;32.83,-28.49,;33.73,-27.23,;35.27,-27.39,)|
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TBA

Assay Description
Binding affinity to 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.1c00365
BindingDB Entry DOI: 10.7270/Q21N84ZQ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50575644
PNG
(CHEMBL4856853)
Show SMILES CCNC(=O)c1cc(Cc2cccc3[nH]ccc23)nc(c1)-c1cn(C)nn1
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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.0c02156
BindingDB Entry DOI: 10.7270/Q2F193JT
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50572878
PNG
(CHEMBL4876836)
Show SMILES CNC(=O)C1(CC1)N(CC(c1ccccc1)c1ccccc1)C(=O)c1cc(C)c(=O)n(C)c1
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TBA

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


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00412
BindingDB Entry DOI: 10.7270/Q2W099RP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50572874
PNG
(CHEMBL4874847)
Show SMILES CNC(=O)C(C1CCC1)N(CC(c1ccccc1)c1ccccc1)C(=O)c1cc(C)c(=O)n(C)c1
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TBA

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


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00412
BindingDB Entry DOI: 10.7270/Q2W099RP
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|
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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))
BDBM50572871
PNG
(CHEMBL4845729)
Show SMILES CNC(=O)C(C(C)C)N(CC(c1ccccc1)c1ccccc1)C(=O)c1cc(C)c(=O)n(C)c1
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TBA

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


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00412
BindingDB Entry DOI: 10.7270/Q2W099RP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50572847
PNG
(CHEMBL4854931)
Show SMILES CCNC(=O)C(C)N(CC(c1ccccc1)c1ccccc1)C(=O)c1cc(C)c(=O)n(C)c1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 32n/an/an/an/an/an/a


TBA

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


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00412
BindingDB Entry DOI: 10.7270/Q2W099RP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50543356
PNG
(CHEMBL4647520)
Show SMILES CNC(=O)c1cc2[C@@H]([C@@H](C)Oc2c(c1)C(=O)NC)c1ccccc1 |r|
Show InChI InChI=1S/C19H20N2O3/c1-11-16(12-7-5-4-6-8-12)14-9-13(18(22)20-2)10-15(17(14)24-11)19(23)21-3/h4-11,16H,1-3H3,(H,20,22)(H,21,23)/t11-,16+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 32n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of Alexa Fluor 647 labelled ligand from His6-tagged BRD4 BD2 (1 to 477 residues)/BD1 Y97A mutant (unknown origin) after 30 mins by TR-FR...


ACS Med Chem Lett 11: 1581-1587 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00247
BindingDB Entry DOI: 10.7270/Q279487V
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50572861
PNG
(CHEMBL4846805)
Show SMILES CNC(=O)C(C)N(CC(c1ccccc1)c1ccccn1)C(=O)c1cc(C)c(=O)n(C)c1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 39.8n/an/an/an/an/an/a


TBA

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


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00412
BindingDB Entry DOI: 10.7270/Q2W099RP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50572861
PNG
(CHEMBL4846805)
Show SMILES CNC(=O)C(C)N(CC(c1ccccc1)c1ccccn1)C(=O)c1cc(C)c(=O)n(C)c1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 39.8n/an/an/an/an/an/a


TBA

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


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00412
BindingDB Entry DOI: 10.7270/Q2W099RP
More data for this
Ligand-Target Pair
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