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PubMed code 21851057

Compile data set for download or QSAR
Found 30 hits of Enzyme Inhibition Constant Data   
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 2


(Homo sapiens (Human))
BDBM50353596
PNG
(CHEMBL1828986)
Show SMILES CCOc1cc(cc(c1)-c1c(C)noc1C)C(C)O
Show InChI InChI=1S/C15H19NO3/c1-5-18-14-7-12(10(3)17)6-13(8-14)15-9(2)16-19-11(15)4/h6-8,10,17H,5H2,1-4H3
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n/an/a 1.60E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of H4Ac4 peptide from first bromodomain of human BRD2 by peptide displacement assay


J Med Chem 54: 6761-70 (2011)


Article DOI: 10.1021/jm200640v
BindingDB Entry DOI: 10.7270/Q2RV0P3P
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50353595
PNG
(CHEMBL1828985)
Show SMILES CCOc1cc(cc(c1)-c1c(C)noc1C)C(C)=O
Show InChI InChI=1S/C15H17NO3/c1-5-18-14-7-12(10(3)17)6-13(8-14)15-9(2)16-19-11(15)4/h6-8H,5H2,1-4H3
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n/an/a 2.30E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of H4Ac4 peptide from first bromodomain of human BRD2 by peptide displacement assay


J Med Chem 54: 6761-70 (2011)


Article DOI: 10.1021/jm200640v
BindingDB Entry DOI: 10.7270/Q2RV0P3P
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50353588
PNG
(CHEMBL1828978)
Show SMILES CN1Cc2cc(ccc2NC1=O)-c1c(C)noc1C
Show InChI InChI=1S/C14H15N3O2/c1-8-13(9(2)19-16-8)10-4-5-12-11(6-10)7-17(3)14(18)15-12/h4-6H,7H2,1-3H3,(H,15,18)
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n/an/a 3.00E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of first bromodomain of BRD2


J Med Chem 54: 6761-70 (2011)


Article DOI: 10.1021/jm200640v
BindingDB Entry DOI: 10.7270/Q2RV0P3P
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50353593
PNG
(CHEMBL1828983)
Show SMILES CCOC(=O)c1cc(OCC)cc(c1)-c1c(C)noc1C
Show InChI InChI=1S/C16H19NO4/c1-5-19-14-8-12(15-10(3)17-21-11(15)4)7-13(9-14)16(18)20-6-2/h7-9H,5-6H2,1-4H3
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n/an/a 3.30E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of H4Ac4 peptide from first bromodomain of human BRD2 by peptide displacement assay


J Med Chem 54: 6761-70 (2011)


Article DOI: 10.1021/jm200640v
BindingDB Entry DOI: 10.7270/Q2RV0P3P
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50353588
PNG
(CHEMBL1828978)
Show SMILES CN1Cc2cc(ccc2NC1=O)-c1c(C)noc1C
Show InChI InChI=1S/C14H15N3O2/c1-8-13(9(2)19-16-8)10-4-5-12-11(6-10)7-17(3)14(18)15-12/h4-6H,7H2,1-3H3,(H,15,18)
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n/an/a 3.40E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of H3K56Ac from human CREBBP by peptide displacement assay


J Med Chem 54: 6761-70 (2011)


Article DOI: 10.1021/jm200640v
BindingDB Entry DOI: 10.7270/Q2RV0P3P
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50353592
PNG
(CHEMBL1828982)
Show SMILES CC(O)c1cccc(c1)-c1c(C)noc1C
Show InChI InChI=1S/C13H15NO2/c1-8-13(10(3)16-14-8)12-6-4-5-11(7-12)9(2)15/h4-7,9,15H,1-3H3
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n/an/a 4.20E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of H4Ac4 peptide from first bromodomain of human BRD2 by peptide displacement assay


J Med Chem 54: 6761-70 (2011)


Article DOI: 10.1021/jm200640v
BindingDB Entry DOI: 10.7270/Q2RV0P3P
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50353596
PNG
(CHEMBL1828986)
Show SMILES CCOc1cc(cc(c1)-c1c(C)noc1C)C(C)O
Show InChI InChI=1S/C15H19NO3/c1-5-18-14-7-12(10(3)17)6-13(8-14)15-9(2)16-19-11(15)4/h6-8,10,17H,5H2,1-4H3
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n/an/a 4.80E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of H4Ac4 peptide from first bromodomain of human BRD4 by peptide displacement assay


J Med Chem 54: 6761-70 (2011)


Article DOI: 10.1021/jm200640v
BindingDB Entry DOI: 10.7270/Q2RV0P3P
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50353588
PNG
(CHEMBL1828978)
Show SMILES CN1Cc2cc(ccc2NC1=O)-c1c(C)noc1C
Show InChI InChI=1S/C14H15N3O2/c1-8-13(9(2)19-16-8)10-4-5-12-11(6-10)7-17(3)14(18)15-12/h4-6H,7H2,1-3H3,(H,15,18)
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n/an/a 4.80E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of H4Ac4 peptide from first bromodomain of human BRD4 by peptide displacement assay


J Med Chem 54: 6761-70 (2011)


Article DOI: 10.1021/jm200640v
BindingDB Entry DOI: 10.7270/Q2RV0P3P
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50353590
PNG
(CHEMBL1828980)
Show SMILES CC(=O)c1cccc(c1)-c1c(C)noc1C
Show InChI InChI=1S/C13H13NO2/c1-8-13(10(3)16-14-8)12-6-4-5-11(7-12)9(2)15/h4-7H,1-3H3
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n/an/a 6.00E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of H4Ac4 peptide from first bromodomain of human BRD2 by peptide displacement assay


J Med Chem 54: 6761-70 (2011)


Article DOI: 10.1021/jm200640v
BindingDB Entry DOI: 10.7270/Q2RV0P3P
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50353588
PNG
(CHEMBL1828978)
Show SMILES CN1Cc2cc(ccc2NC1=O)-c1c(C)noc1C
Show InChI InChI=1S/C14H15N3O2/c1-8-13(9(2)19-16-8)10-4-5-12-11(6-10)7-17(3)14(18)15-12/h4-6H,7H2,1-3H3,(H,15,18)
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n/an/a 7.00E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of first bromodomain of BRD4


J Med Chem 54: 6761-70 (2011)


Article DOI: 10.1021/jm200640v
BindingDB Entry DOI: 10.7270/Q2RV0P3P
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50353591
PNG
(CHEMBL1828981)
Show SMILES CCOc1cccc(c1)-c1c(C)noc1C
Show InChI InChI=1S/C13H15NO2/c1-4-15-12-7-5-6-11(8-12)13-9(2)14-16-10(13)3/h5-8H,4H2,1-3H3
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n/an/a 7.40E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of H4Ac4 peptide from first bromodomain of human BRD2 by peptide displacement assay


J Med Chem 54: 6761-70 (2011)


Article DOI: 10.1021/jm200640v
BindingDB Entry DOI: 10.7270/Q2RV0P3P
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50353595
PNG
(CHEMBL1828985)
Show SMILES CCOc1cc(cc(c1)-c1c(C)noc1C)C(C)=O
Show InChI InChI=1S/C15H17NO3/c1-5-18-14-7-12(10(3)17)6-13(8-14)15-9(2)16-19-11(15)4/h6-8H,5H2,1-4H3
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n/an/a 7.50E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of H4Ac4 peptide from first bromodomain of human BRD4 by peptide displacement assay


J Med Chem 54: 6761-70 (2011)


Article DOI: 10.1021/jm200640v
BindingDB Entry DOI: 10.7270/Q2RV0P3P
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50353593
PNG
(CHEMBL1828983)
Show SMILES CCOC(=O)c1cc(OCC)cc(c1)-c1c(C)noc1C
Show InChI InChI=1S/C16H19NO4/c1-5-19-14-8-12(15-10(3)17-21-11(15)4)7-13(9-14)16(18)20-6-2/h7-9H,5-6H2,1-4H3
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n/an/a 7.70E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of H4Ac4 peptide from first bromodomain of human BRD4 by peptide displacement assay


J Med Chem 54: 6761-70 (2011)


Article DOI: 10.1021/jm200640v
BindingDB Entry DOI: 10.7270/Q2RV0P3P
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50353592
PNG
(CHEMBL1828982)
Show SMILES CC(O)c1cccc(c1)-c1c(C)noc1C
Show InChI InChI=1S/C13H15NO2/c1-8-13(10(3)16-14-8)12-6-4-5-11(7-12)9(2)15/h4-7,9,15H,1-3H3
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n/an/a 9.70E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of H4Ac4 peptide from first bromodomain of human BRD4 by peptide displacement assay


J Med Chem 54: 6761-70 (2011)


Article DOI: 10.1021/jm200640v
BindingDB Entry DOI: 10.7270/Q2RV0P3P
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50353595
PNG
(CHEMBL1828985)
Show SMILES CCOc1cc(cc(c1)-c1c(C)noc1C)C(C)=O
Show InChI InChI=1S/C15H17NO3/c1-5-18-14-7-12(10(3)17)6-13(8-14)15-9(2)16-19-11(15)4/h6-8H,5H2,1-4H3
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n/an/a 1.29E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of H3K56Ac from human CREBBP by peptide displacement assay


J Med Chem 54: 6761-70 (2011)


Article DOI: 10.1021/jm200640v
BindingDB Entry DOI: 10.7270/Q2RV0P3P
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50353591
PNG
(CHEMBL1828981)
Show SMILES CCOc1cccc(c1)-c1c(C)noc1C
Show InChI InChI=1S/C13H15NO2/c1-4-15-12-7-5-6-11(8-12)13-9(2)14-16-10(13)3/h5-8H,4H2,1-3H3
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n/an/a 2.32E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of H4Ac4 peptide from first bromodomain of human BRD4 by peptide displacement assay


J Med Chem 54: 6761-70 (2011)


Article DOI: 10.1021/jm200640v
BindingDB Entry DOI: 10.7270/Q2RV0P3P
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50353590
PNG
(CHEMBL1828980)
Show SMILES CC(=O)c1cccc(c1)-c1c(C)noc1C
Show InChI InChI=1S/C13H13NO2/c1-8-13(10(3)16-14-8)12-6-4-5-11(7-12)9(2)15/h4-7H,1-3H3
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n/an/a 2.46E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of H4Ac4 peptide from first bromodomain of human BRD4 by peptide displacement assay


J Med Chem 54: 6761-70 (2011)


Article DOI: 10.1021/jm200640v
BindingDB Entry DOI: 10.7270/Q2RV0P3P
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50353596
PNG
(CHEMBL1828986)
Show SMILES CCOc1cc(cc(c1)-c1c(C)noc1C)C(C)O
Show InChI InChI=1S/C15H19NO3/c1-5-18-14-7-12(10(3)17)6-13(8-14)15-9(2)16-19-11(15)4/h6-8,10,17H,5H2,1-4H3
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n/an/a 2.81E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of H3K56Ac from human CREBBP by peptide displacement assay


J Med Chem 54: 6761-70 (2011)


Article DOI: 10.1021/jm200640v
BindingDB Entry DOI: 10.7270/Q2RV0P3P
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50353594
PNG
(CHEMBL1828984)
Show SMILES CCOc1cc(cc(c1)-c1c(C)noc1C)C(O)=O
Show InChI InChI=1S/C14H15NO4/c1-4-18-12-6-10(5-11(7-12)14(16)17)13-8(2)15-19-9(13)3/h5-7H,4H2,1-3H3,(H,16,17)
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n/an/a 2.82E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of H4Ac4 peptide from first bromodomain of human BRD2 by peptide displacement assay


J Med Chem 54: 6761-70 (2011)


Article DOI: 10.1021/jm200640v
BindingDB Entry DOI: 10.7270/Q2RV0P3P
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50353594
PNG
(CHEMBL1828984)
Show SMILES CCOc1cc(cc(c1)-c1c(C)noc1C)C(O)=O
Show InChI InChI=1S/C14H15NO4/c1-4-18-12-6-10(5-11(7-12)14(16)17)13-8(2)15-19-9(13)3/h5-7H,4H2,1-3H3,(H,16,17)
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n/an/a 3.22E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of H3K56Ac from human CREBBP by peptide displacement assay


J Med Chem 54: 6761-70 (2011)


Article DOI: 10.1021/jm200640v
BindingDB Entry DOI: 10.7270/Q2RV0P3P
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50353589
PNG
(CHEMBL1828979)
Show SMILES Cc1noc(C)c1-c1ccccc1
Show InChI InChI=1S/C11H11NO/c1-8-11(9(2)13-12-8)10-6-4-3-5-7-10/h3-7H,1-2H3
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n/an/a 3.43E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of H4Ac4 peptide from first bromodomain of human BRD2 by peptide displacement assay


J Med Chem 54: 6761-70 (2011)


Article DOI: 10.1021/jm200640v
BindingDB Entry DOI: 10.7270/Q2RV0P3P
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50353592
PNG
(CHEMBL1828982)
Show SMILES CC(O)c1cccc(c1)-c1c(C)noc1C
Show InChI InChI=1S/C13H15NO2/c1-8-13(10(3)16-14-8)12-6-4-5-11(7-12)9(2)15/h4-7,9,15H,1-3H3
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n/an/a 4.54E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of H3K56Ac from human CREBBP by peptide displacement assay


J Med Chem 54: 6761-70 (2011)


Article DOI: 10.1021/jm200640v
BindingDB Entry DOI: 10.7270/Q2RV0P3P
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
CREB-binding protein


(Homo sapiens (Human))
BDBM50353593
PNG
(CHEMBL1828983)
Show SMILES CCOC(=O)c1cc(OCC)cc(c1)-c1c(C)noc1C
Show InChI InChI=1S/C16H19NO4/c1-5-19-14-8-12(15-10(3)17-21-11(15)4)7-13(9-14)16(18)20-6-2/h7-9H,5-6H2,1-4H3
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Article
PubMed
n/an/a 4.94E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of H3K56Ac from human CREBBP by peptide displacement assay


J Med Chem 54: 6761-70 (2011)


Article DOI: 10.1021/jm200640v
BindingDB Entry DOI: 10.7270/Q2RV0P3P
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50353594
PNG
(CHEMBL1828984)
Show SMILES CCOc1cc(cc(c1)-c1c(C)noc1C)C(O)=O
Show InChI InChI=1S/C14H15NO4/c1-4-18-12-6-10(5-11(7-12)14(16)17)13-8(2)15-19-9(13)3/h5-7H,4H2,1-3H3,(H,16,17)
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PubMed
n/an/a 5.12E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of H4Ac4 peptide from first bromodomain of human BRD4 by peptide displacement assay


J Med Chem 54: 6761-70 (2011)


Article DOI: 10.1021/jm200640v
BindingDB Entry DOI: 10.7270/Q2RV0P3P
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50353590
PNG
(CHEMBL1828980)
Show SMILES CC(=O)c1cccc(c1)-c1c(C)noc1C
Show InChI InChI=1S/C13H13NO2/c1-8-13(10(3)16-14-8)12-6-4-5-11(7-12)9(2)15/h4-7H,1-3H3
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Article
PubMed
n/an/a 5.57E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of H3K56Ac from human CREBBP by peptide displacement assay


J Med Chem 54: 6761-70 (2011)


Article DOI: 10.1021/jm200640v
BindingDB Entry DOI: 10.7270/Q2RV0P3P
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50353589
PNG
(CHEMBL1828979)
Show SMILES Cc1noc(C)c1-c1ccccc1
Show InChI InChI=1S/C11H11NO/c1-8-11(9(2)13-12-8)10-6-4-3-5-7-10/h3-7H,1-2H3
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PubMed
n/an/a 8.42E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of H4Ac4 peptide from first bromodomain of human BRD4 by peptide displacement assay


J Med Chem 54: 6761-70 (2011)


Article DOI: 10.1021/jm200640v
BindingDB Entry DOI: 10.7270/Q2RV0P3P
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50353591
PNG
(CHEMBL1828981)
Show SMILES CCOc1cccc(c1)-c1c(C)noc1C
Show InChI InChI=1S/C13H15NO2/c1-4-15-12-7-5-6-11(8-12)13-9(2)14-16-10(13)3/h5-8H,4H2,1-3H3
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Article
PubMed
n/an/a 8.69E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of H3K56Ac from human CREBBP by peptide displacement assay


J Med Chem 54: 6761-70 (2011)


Article DOI: 10.1021/jm200640v
BindingDB Entry DOI: 10.7270/Q2RV0P3P
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
CREB-binding protein


(Homo sapiens (Human))
BDBM50353589
PNG
(CHEMBL1828979)
Show SMILES Cc1noc(C)c1-c1ccccc1
Show InChI InChI=1S/C11H11NO/c1-8-11(9(2)13-12-8)10-6-4-3-5-7-10/h3-7H,1-2H3
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PubMed
n/an/a>2.00E+5n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of H3K56Ac from human CREBBP by peptide displacement assay


J Med Chem 54: 6761-70 (2011)


Article DOI: 10.1021/jm200640v
BindingDB Entry DOI: 10.7270/Q2RV0P3P
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
CREB-binding protein


(Homo sapiens (Human))
BDBM50353587
PNG
(CHEMBL12543)
Show SMILES CN1CCCC1=O
Show InChI InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3
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Article
PubMed
n/an/a 2.30E+6n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of CREBBP


J Med Chem 54: 6761-70 (2011)


Article DOI: 10.1021/jm200640v
BindingDB Entry DOI: 10.7270/Q2RV0P3P
More data for this
Ligand-Target Pair
Bromodomain adjacent to zinc finger domain protein 2B


(Homo sapiens (Human))
BDBM50353587
PNG
(CHEMBL12543)
Show SMILES CN1CCCC1=O
Show InChI InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3
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PubMed
n/an/a 3.40E+7n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of BAZ2B


J Med Chem 54: 6761-70 (2011)


Article DOI: 10.1021/jm200640v
BindingDB Entry DOI: 10.7270/Q2RV0P3P
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%