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Compile Data Set for Download or QSAR

Found 82 hits with Last Name = 'felletar' and Initial = 'i'   
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))
BDBM50210164
PNG
(CHEMBL2132936)
Show SMILES Cc1nnc2C(CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |c:14|
Show InChI InChI=1S/C23H25ClN4O2S/c1-12-13(2)31-22-19(12)20(15-7-9-16(24)10-8-15)25-17(11-18(29)30-23(4,5)6)21-27-26-14(3)28(21)22/h7-10,17H,11H2,1-6H3
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n/an/a 25n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of [3H]-Nalpha-methylhistamine binding to H3 receptor in guinea-pig brain membranes


Citation and Details

Article DOI: 10.1038/nature09504
BindingDB Entry DOI: 10.7270/Q2R78JST
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50495426
PNG
(CHEMBL3108801)
Show SMILES Cc1nnc2c3ccccc3c(nn12)-c1ccc(N2CCOCC2)c(NS(=O)(=O)c2ccccc2Cl)c1
Show InChI InChI=1S/C26H23ClN6O3S/c1-17-28-29-26-20-7-3-2-6-19(20)25(30-33(17)26)18-10-11-23(32-12-14-36-15-13-32)22(16-18)31-37(34,35)24-9-5-4-8-21(24)27/h2-11,16,31H,12-15H2,1H3
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University of Oxford

Curated by ChEMBL


Assay Description
Displacement of H4Ac4 peptide from BRD4 bromodomain-1 (unknown origin) by AlphaScreen assay


J Med Chem 57: 462-76 (2014)


Article DOI: 10.1021/jm401568s
BindingDB Entry DOI: 10.7270/Q2CC13PD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Chromatin remodeling regulator CECR2


(Homo sapiens (Human))
BDBM50495431
PNG
(CHEMBL3108800)
Show SMILES Cc1nnc2c3ccccc3c(nn12)-c1ccc(N2CCOCC2)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C21H22N6O3S/c1-14-22-23-21-17-6-4-3-5-16(17)20(24-27(14)21)15-7-8-19(26-9-11-30-12-10-26)18(13-15)25-31(2,28)29/h3-8,13,25H,9-12H2,1-2H3
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University of Oxford

Curated by ChEMBL


Assay Description
Displacement of H4Ac4 peptide from CECR2 bromodomain (unknown origin) by AlphaScreen assay


J Med Chem 57: 462-76 (2014)


Article DOI: 10.1021/jm401568s
BindingDB Entry DOI: 10.7270/Q2CC13PD
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50495426
PNG
(CHEMBL3108801)
Show SMILES Cc1nnc2c3ccccc3c(nn12)-c1ccc(N2CCOCC2)c(NS(=O)(=O)c2ccccc2Cl)c1
Show InChI InChI=1S/C26H23ClN6O3S/c1-17-28-29-26-20-7-3-2-6-19(20)25(30-33(17)26)18-10-11-23(32-12-14-36-15-13-32)22(16-18)31-37(34,35)24-9-5-4-8-21(24)27/h2-11,16,31H,12-15H2,1H3
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University of Oxford

Curated by ChEMBL


Assay Description
Displacement of H3K56(Ac) peptide from CREBBP bromodomain (unknown origin) by AlphaScreen assay


J Med Chem 57: 462-76 (2014)


Article DOI: 10.1021/jm401568s
BindingDB Entry DOI: 10.7270/Q2CC13PD
More data for this
Ligand-Target Pair
Bromodomain-containing protein 9


(Homo sapiens (Human))
BDBM50495426
PNG
(CHEMBL3108801)
Show SMILES Cc1nnc2c3ccccc3c(nn12)-c1ccc(N2CCOCC2)c(NS(=O)(=O)c2ccccc2Cl)c1
Show InChI InChI=1S/C26H23ClN6O3S/c1-17-28-29-26-20-7-3-2-6-19(20)25(30-33(17)26)18-10-11-23(32-12-14-36-15-13-32)22(16-18)31-37(34,35)24-9-5-4-8-21(24)27/h2-11,16,31H,12-15H2,1H3
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University of Oxford

Curated by ChEMBL


Assay Description
Displacement of H2K9(Ac)K13(Ac)K15(Ac) peptide from BRD9 bromodomain (unknown origin) by AlphaScreen assay


J Med Chem 57: 462-76 (2014)


Article DOI: 10.1021/jm401568s
BindingDB Entry DOI: 10.7270/Q2CC13PD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Chromatin remodeling regulator CECR2


(Homo sapiens (Human))
BDBM50495429
PNG
(CHEMBL3108781)
Show SMILES CN(C)S(=O)(=O)c1cc(ccc1C)-c1nn2c(C)nnc2c2ccccc12
Show InChI InChI=1S/C19H19N5O2S/c1-12-9-10-14(11-17(12)27(25,26)23(3)4)18-15-7-5-6-8-16(15)19-21-20-13(2)24(19)22-18/h5-11H,1-4H3
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University of Oxford

Curated by ChEMBL


Assay Description
Displacement of H4Ac4 peptide from CECR2 bromodomain (unknown origin) by AlphaScreen assay


J Med Chem 57: 462-76 (2014)


Article DOI: 10.1021/jm401568s
BindingDB Entry DOI: 10.7270/Q2CC13PD
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50495431
PNG
(CHEMBL3108800)
Show SMILES Cc1nnc2c3ccccc3c(nn12)-c1ccc(N2CCOCC2)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C21H22N6O3S/c1-14-22-23-21-17-6-4-3-5-16(17)20(24-27(14)21)15-7-8-19(26-9-11-30-12-10-26)18(13-15)25-31(2,28)29/h3-8,13,25H,9-12H2,1-2H3
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University of Oxford

Curated by ChEMBL


Assay Description
Displacement of H4Ac4 peptide from BRD4 bromodomain-1 (unknown origin) by AlphaScreen assay


J Med Chem 57: 462-76 (2014)


Article DOI: 10.1021/jm401568s
BindingDB Entry DOI: 10.7270/Q2CC13PD
More data for this
Ligand-Target Pair
Bromodomain-containing protein 9


(Homo sapiens (Human))
BDBM50495431
PNG
(CHEMBL3108800)
Show SMILES Cc1nnc2c3ccccc3c(nn12)-c1ccc(N2CCOCC2)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C21H22N6O3S/c1-14-22-23-21-17-6-4-3-5-16(17)20(24-27(14)21)15-7-8-19(26-9-11-30-12-10-26)18(13-15)25-31(2,28)29/h3-8,13,25H,9-12H2,1-2H3
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University of Oxford

Curated by ChEMBL


Assay Description
Displacement of H2K9(Ac)K13(Ac)K15(Ac) peptide from BRD9 bromodomain (unknown origin) by AlphaScreen assay


J Med Chem 57: 462-76 (2014)


Article DOI: 10.1021/jm401568s
BindingDB Entry DOI: 10.7270/Q2CC13PD
More data for this
Ligand-Target Pair
Bromodomain-containing protein 9


(Homo sapiens (Human))
BDBM50495428
PNG
(CHEMBL3110357)
Show SMILES Cc1nnc2c3ccccc3c(nn12)-c1ccc(C)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C18H17N5O2S/c1-11-8-9-13(10-16(11)22-26(3,24)25)17-14-6-4-5-7-15(14)18-20-19-12(2)23(18)21-17/h4-10,22H,1-3H3
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University of Oxford

Curated by ChEMBL


Assay Description
Displacement of H2K9(Ac)K13(Ac)K15(Ac) peptide from BRD9 bromodomain (unknown origin) by AlphaScreen assay


J Med Chem 57: 462-76 (2014)


Article DOI: 10.1021/jm401568s
BindingDB Entry DOI: 10.7270/Q2CC13PD
More data for this
Ligand-Target Pair
Chromatin remodeling regulator CECR2


(Homo sapiens (Human))
BDBM50495428
PNG
(CHEMBL3110357)
Show SMILES Cc1nnc2c3ccccc3c(nn12)-c1ccc(C)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C18H17N5O2S/c1-11-8-9-13(10-16(11)22-26(3,24)25)17-14-6-4-5-7-15(14)18-20-19-12(2)23(18)21-17/h4-10,22H,1-3H3
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University of Oxford

Curated by ChEMBL


Assay Description
Displacement of H4Ac4 peptide from CECR2 bromodomain (unknown origin) by AlphaScreen assay


J Med Chem 57: 462-76 (2014)


Article DOI: 10.1021/jm401568s
BindingDB Entry DOI: 10.7270/Q2CC13PD
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50495431
PNG
(CHEMBL3108800)
Show SMILES Cc1nnc2c3ccccc3c(nn12)-c1ccc(N2CCOCC2)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C21H22N6O3S/c1-14-22-23-21-17-6-4-3-5-16(17)20(24-27(14)21)15-7-8-19(26-9-11-30-12-10-26)18(13-15)25-31(2,28)29/h3-8,13,25H,9-12H2,1-2H3
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University of Oxford

Curated by ChEMBL


Assay Description
Displacement of H3K56(Ac) peptide from CREBBP bromodomain (unknown origin) by AlphaScreen assay


J Med Chem 57: 462-76 (2014)


Article DOI: 10.1021/jm401568s
BindingDB Entry DOI: 10.7270/Q2CC13PD
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50495430
PNG
(CHEMBL3108803)
Show SMILES Cc1nnc2c3ccccc3c(nn12)-c1ccc(N2CCOCC2)c(NS(=O)(=O)c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C26H23ClN6O3S/c1-17-28-29-26-22-5-3-2-4-21(22)25(30-33(17)26)18-6-11-24(32-12-14-36-15-13-32)23(16-18)31-37(34,35)20-9-7-19(27)8-10-20/h2-11,16,31H,12-15H2,1H3
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University of Oxford

Curated by ChEMBL


Assay Description
Displacement of H3K56(Ac) peptide from CREBBP bromodomain (unknown origin) by AlphaScreen assay


J Med Chem 57: 462-76 (2014)


Article DOI: 10.1021/jm401568s
BindingDB Entry DOI: 10.7270/Q2CC13PD
More data for this
Ligand-Target Pair
Bromodomain-containing protein 9


(Homo sapiens (Human))
BDBM50495425
PNG
(CHEMBL3110353)
Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1cc(ccc1N1CCN(C)CC1)-c1nn2c(C)nnc2c2ccccc12
Show InChI InChI=1S/C28H29N7O3S/c1-19-29-30-28-24-7-5-4-6-23(24)27(31-35(19)28)20-8-13-26(34-16-14-33(2)15-17-34)25(18-20)32-39(36,37)22-11-9-21(38-3)10-12-22/h4-13,18,32H,14-17H2,1-3H3
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University of Oxford

Curated by ChEMBL


Assay Description
Displacement of H2K9(Ac)K13(Ac)K15(Ac) peptide from BRD9 bromodomain (unknown origin) by AlphaScreen assay


J Med Chem 57: 462-76 (2014)


Article DOI: 10.1021/jm401568s
BindingDB Entry DOI: 10.7270/Q2CC13PD
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50495425
PNG
(CHEMBL3110353)
Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1cc(ccc1N1CCN(C)CC1)-c1nn2c(C)nnc2c2ccccc12
Show InChI InChI=1S/C28H29N7O3S/c1-19-29-30-28-24-7-5-4-6-23(24)27(31-35(19)28)20-8-13-26(34-16-14-33(2)15-17-34)25(18-20)32-39(36,37)22-11-9-21(38-3)10-12-22/h4-13,18,32H,14-17H2,1-3H3
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University of Oxford

Curated by ChEMBL


Assay Description
Displacement of H3K56(Ac) peptide from CREBBP bromodomain (unknown origin) by AlphaScreen assay


J Med Chem 57: 462-76 (2014)


Article DOI: 10.1021/jm401568s
BindingDB Entry DOI: 10.7270/Q2CC13PD
More data for this
Ligand-Target Pair
Bromodomain-containing protein 9


(Homo sapiens (Human))
BDBM50495430
PNG
(CHEMBL3108803)
Show SMILES Cc1nnc2c3ccccc3c(nn12)-c1ccc(N2CCOCC2)c(NS(=O)(=O)c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C26H23ClN6O3S/c1-17-28-29-26-22-5-3-2-4-21(22)25(30-33(17)26)18-6-11-24(32-12-14-36-15-13-32)23(16-18)31-37(34,35)20-9-7-19(27)8-10-20/h2-11,16,31H,12-15H2,1H3
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University of Oxford

Curated by ChEMBL


Assay Description
Displacement of H2K9(Ac)K13(Ac)K15(Ac) peptide from BRD9 bromodomain (unknown origin) by AlphaScreen assay


J Med Chem 57: 462-76 (2014)


Article DOI: 10.1021/jm401568s
BindingDB Entry DOI: 10.7270/Q2CC13PD
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50495430
PNG
(CHEMBL3108803)
Show SMILES Cc1nnc2c3ccccc3c(nn12)-c1ccc(N2CCOCC2)c(NS(=O)(=O)c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C26H23ClN6O3S/c1-17-28-29-26-22-5-3-2-4-21(22)25(30-33(17)26)18-6-11-24(32-12-14-36-15-13-32)23(16-18)31-37(34,35)20-9-7-19(27)8-10-20/h2-11,16,31H,12-15H2,1H3
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University of Oxford

Curated by ChEMBL


Assay Description
Displacement of H4Ac4 peptide from BRD4 bromodomain-1 (unknown origin) by AlphaScreen assay


J Med Chem 57: 462-76 (2014)


Article DOI: 10.1021/jm401568s
BindingDB Entry DOI: 10.7270/Q2CC13PD
More data for this
Ligand-Target Pair
Chromatin remodeling regulator CECR2


(Homo sapiens (Human))
BDBM50495425
PNG
(CHEMBL3110353)
Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1cc(ccc1N1CCN(C)CC1)-c1nn2c(C)nnc2c2ccccc12
Show InChI InChI=1S/C28H29N7O3S/c1-19-29-30-28-24-7-5-4-6-23(24)27(31-35(19)28)20-8-13-26(34-16-14-33(2)15-17-34)25(18-20)32-39(36,37)22-11-9-21(38-3)10-12-22/h4-13,18,32H,14-17H2,1-3H3
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University of Oxford

Curated by ChEMBL


Assay Description
Displacement of H4Ac4 peptide from CECR2 bromodomain (unknown origin) by AlphaScreen assay


J Med Chem 57: 462-76 (2014)


Article DOI: 10.1021/jm401568s
BindingDB Entry DOI: 10.7270/Q2CC13PD
More data for this
Ligand-Target Pair
Bromodomain-containing protein 9


(Homo sapiens (Human))
BDBM50495427
PNG
(CHEMBL1513201)
Show SMILES CNS(=O)(=O)c1cc(ccc1C)-c1nn2c(C)nnc2c2ccccc12
Show InChI InChI=1S/C18H17N5O2S/c1-11-8-9-13(10-16(11)26(24,25)19-3)17-14-6-4-5-7-15(14)18-21-20-12(2)23(18)22-17/h4-10,19H,1-3H3
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University of Oxford

Curated by ChEMBL


Assay Description
Displacement of H2K9(Ac)K13(Ac)K15(Ac) peptide from BRD9 bromodomain (unknown origin) by AlphaScreen assay


J Med Chem 57: 462-76 (2014)


Article DOI: 10.1021/jm401568s
BindingDB Entry DOI: 10.7270/Q2CC13PD
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50495429
PNG
(CHEMBL3108781)
Show SMILES CN(C)S(=O)(=O)c1cc(ccc1C)-c1nn2c(C)nnc2c2ccccc12
Show InChI InChI=1S/C19H19N5O2S/c1-12-9-10-14(11-17(12)27(25,26)23(3)4)18-15-7-5-6-8-16(15)19-21-20-13(2)24(19)22-18/h5-11H,1-4H3
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University of Oxford

Curated by ChEMBL


Assay Description
Displacement of H4Ac4 peptide from BRD4 bromodomain-1 (unknown origin) by AlphaScreen assay


J Med Chem 57: 462-76 (2014)


Article DOI: 10.1021/jm401568s
BindingDB Entry DOI: 10.7270/Q2CC13PD
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50495429
PNG
(CHEMBL3108781)
Show SMILES CN(C)S(=O)(=O)c1cc(ccc1C)-c1nn2c(C)nnc2c2ccccc12
Show InChI InChI=1S/C19H19N5O2S/c1-12-9-10-14(11-17(12)27(25,26)23(3)4)18-15-7-5-6-8-16(15)19-21-20-13(2)24(19)22-18/h5-11H,1-4H3
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University of Oxford

Curated by ChEMBL


Assay Description
Displacement of H3K56(Ac) peptide from CREBBP bromodomain (unknown origin) by AlphaScreen assay


J Med Chem 57: 462-76 (2014)


Article DOI: 10.1021/jm401568s
BindingDB Entry DOI: 10.7270/Q2CC13PD
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50495427
PNG
(CHEMBL1513201)
Show SMILES CNS(=O)(=O)c1cc(ccc1C)-c1nn2c(C)nnc2c2ccccc12
Show InChI InChI=1S/C18H17N5O2S/c1-11-8-9-13(10-16(11)26(24,25)19-3)17-14-6-4-5-7-15(14)18-21-20-12(2)23(18)22-17/h4-10,19H,1-3H3
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University of Oxford

Curated by ChEMBL


Assay Description
Displacement of H3K56(Ac) peptide from CREBBP bromodomain (unknown origin) by AlphaScreen assay


J Med Chem 57: 462-76 (2014)


Article DOI: 10.1021/jm401568s
BindingDB Entry DOI: 10.7270/Q2CC13PD
More data for this
Ligand-Target Pair
Bromodomain-containing protein 9


(Homo sapiens (Human))
BDBM50495429
PNG
(CHEMBL3108781)
Show SMILES CN(C)S(=O)(=O)c1cc(ccc1C)-c1nn2c(C)nnc2c2ccccc12
Show InChI InChI=1S/C19H19N5O2S/c1-12-9-10-14(11-17(12)27(25,26)23(3)4)18-15-7-5-6-8-16(15)19-21-20-13(2)24(19)22-18/h5-11H,1-4H3
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University of Oxford

Curated by ChEMBL


Assay Description
Displacement of H2K9(Ac)K13(Ac)K15(Ac) peptide from BRD9 bromodomain (unknown origin) by AlphaScreen assay


J Med Chem 57: 462-76 (2014)


Article DOI: 10.1021/jm401568s
BindingDB Entry DOI: 10.7270/Q2CC13PD
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50495427
PNG
(CHEMBL1513201)
Show SMILES CNS(=O)(=O)c1cc(ccc1C)-c1nn2c(C)nnc2c2ccccc12
Show InChI InChI=1S/C18H17N5O2S/c1-11-8-9-13(10-16(11)26(24,25)19-3)17-14-6-4-5-7-15(14)18-21-20-12(2)23(18)22-17/h4-10,19H,1-3H3
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University of Oxford

Curated by ChEMBL


Assay Description
Displacement of H4Ac4 peptide from BRD4 bromodomain-1 (unknown origin) by AlphaScreen assay


J Med Chem 57: 462-76 (2014)


Article DOI: 10.1021/jm401568s
BindingDB Entry DOI: 10.7270/Q2CC13PD
More data for this
Ligand-Target Pair
Chromatin remodeling regulator CECR2


(Homo sapiens (Human))
BDBM50495427
PNG
(CHEMBL1513201)
Show SMILES CNS(=O)(=O)c1cc(ccc1C)-c1nn2c(C)nnc2c2ccccc12
Show InChI InChI=1S/C18H17N5O2S/c1-11-8-9-13(10-16(11)26(24,25)19-3)17-14-6-4-5-7-15(14)18-21-20-12(2)23(18)22-17/h4-10,19H,1-3H3
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University of Oxford

Curated by ChEMBL


Assay Description
Displacement of H4Ac4 peptide from CECR2 bromodomain (unknown origin) by AlphaScreen assay


J Med Chem 57: 462-76 (2014)


Article DOI: 10.1021/jm401568s
BindingDB Entry DOI: 10.7270/Q2CC13PD
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50495428
PNG
(CHEMBL3110357)
Show SMILES Cc1nnc2c3ccccc3c(nn12)-c1ccc(C)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C18H17N5O2S/c1-11-8-9-13(10-16(11)22-26(3,24)25)17-14-6-4-5-7-15(14)18-20-19-12(2)23(18)21-17/h4-10,22H,1-3H3
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University of Oxford

Curated by ChEMBL


Assay Description
Displacement of H4Ac4 peptide from BRD4 bromodomain-1 (unknown origin) by AlphaScreen assay


J Med Chem 57: 462-76 (2014)


Article DOI: 10.1021/jm401568s
BindingDB Entry DOI: 10.7270/Q2CC13PD
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50495425
PNG
(CHEMBL3110353)
Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1cc(ccc1N1CCN(C)CC1)-c1nn2c(C)nnc2c2ccccc12
Show InChI InChI=1S/C28H29N7O3S/c1-19-29-30-28-24-7-5-4-6-23(24)27(31-35(19)28)20-8-13-26(34-16-14-33(2)15-17-34)25(18-20)32-39(36,37)22-11-9-21(38-3)10-12-22/h4-13,18,32H,14-17H2,1-3H3
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University of Oxford

Curated by ChEMBL


Assay Description
Displacement of H4Ac4 peptide from BRD4 bromodomain-1 (unknown origin) by AlphaScreen assay


J Med Chem 57: 462-76 (2014)


Article DOI: 10.1021/jm401568s
BindingDB Entry DOI: 10.7270/Q2CC13PD
More data for this
Ligand-Target Pair
Chromatin remodeling regulator CECR2


(Homo sapiens (Human))
BDBM50495432
PNG
(CHEMBL3108806)
Show SMILES CCC(=O)Nc1cc(ccc1C)-c1nn2c(C)nnc2c2ccccc12
Show InChI InChI=1S/C20H19N5O/c1-4-18(26)21-17-11-14(10-9-12(17)2)19-15-7-5-6-8-16(15)20-23-22-13(3)25(20)24-19/h5-11H,4H2,1-3H3,(H,21,26)
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University of Oxford

Curated by ChEMBL


Assay Description
Displacement of H4Ac4 peptide from CECR2 bromodomain (unknown origin) by AlphaScreen assay


J Med Chem 57: 462-76 (2014)


Article DOI: 10.1021/jm401568s
BindingDB Entry DOI: 10.7270/Q2CC13PD
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50495432
PNG
(CHEMBL3108806)
Show SMILES CCC(=O)Nc1cc(ccc1C)-c1nn2c(C)nnc2c2ccccc12
Show InChI InChI=1S/C20H19N5O/c1-4-18(26)21-17-11-14(10-9-12(17)2)19-15-7-5-6-8-16(15)20-23-22-13(3)25(20)24-19/h5-11H,4H2,1-3H3,(H,21,26)
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n/an/a 6.31E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of H3K56(Ac) peptide from CREBBP bromodomain (unknown origin) by AlphaScreen assay


J Med Chem 57: 462-76 (2014)


Article DOI: 10.1021/jm401568s
BindingDB Entry DOI: 10.7270/Q2CC13PD
More data for this
Ligand-Target Pair
Bromodomain adjacent to zinc finger domain protein 2B


(Homo sapiens (Human))
BDBM50495365
PNG
(CHEMBL3110241)
Show SMILES CNC(=O)N1CCc2[nH]c3ccc(Cl)cc3c2C1
Show InChI InChI=1S/C13H14ClN3O/c1-15-13(18)17-5-4-12-10(7-17)9-6-8(14)2-3-11(9)16-12/h2-3,6,16H,4-5,7H2,1H3,(H,15,18)
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n/an/a 9.00E+3n/an/an/an/an/an/a



University of Cambridge

Curated by ChEMBL


Assay Description
Displacement of biotinylated H3Kac14 peptide from His6-tagged human BAZ2B expressed in Escherichia coli BL21(DE3) after 30 mins by AlphaLISA assay


J Med Chem 56: 10183-7 (2013)


Article DOI: 10.1021/jm401582c
BindingDB Entry DOI: 10.7270/Q2125WMB
More data for this
Ligand-Target Pair
Bromodomain adjacent to zinc finger domain protein 2B


(Homo sapiens (Human))
BDBM50495361
PNG
(CHEMBL3110228)
Show SMILES CC(=O)N1CCc2[nH]c3ccc(Br)cc3c2C1
Show InChI InChI=1S/C13H13BrN2O/c1-8(17)16-5-4-13-11(7-16)10-6-9(14)2-3-12(10)15-13/h2-3,6,15H,4-5,7H2,1H3
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University of Cambridge

Curated by ChEMBL


Assay Description
Displacement of biotinylated H3Kac14 peptide from His6-tagged human BAZ2B expressed in Escherichia coli BL21(DE3) after 30 mins by AlphaLISA assay


J Med Chem 56: 10183-7 (2013)


Article DOI: 10.1021/jm401582c
BindingDB Entry DOI: 10.7270/Q2125WMB
More data for this
Ligand-Target Pair
Bromodomain adjacent to zinc finger domain protein 2B


(Homo sapiens (Human))
BDBM50495368
PNG
(CHEMBL3110242)
Show SMILES CNC(=O)N1CCc2[nH]c3ccc(Br)cc3c2C1
Show InChI InChI=1S/C13H14BrN3O/c1-15-13(18)17-5-4-12-10(7-17)9-6-8(14)2-3-11(9)16-12/h2-3,6,16H,4-5,7H2,1H3,(H,15,18)
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University of Cambridge

Curated by ChEMBL


Assay Description
Displacement of biotinylated H3Kac14 peptide from His6-tagged human BAZ2B expressed in Escherichia coli BL21(DE3) after 30 mins by AlphaLISA assay


J Med Chem 56: 10183-7 (2013)


Article DOI: 10.1021/jm401582c
BindingDB Entry DOI: 10.7270/Q2125WMB
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50495428
PNG
(CHEMBL3110357)
Show SMILES Cc1nnc2c3ccccc3c(nn12)-c1ccc(C)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C18H17N5O2S/c1-11-8-9-13(10-16(11)22-26(3,24)25)17-14-6-4-5-7-15(14)18-20-19-12(2)23(18)21-17/h4-10,22H,1-3H3
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n/an/a 1.58E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of H3K56(Ac) peptide from CREBBP bromodomain (unknown origin) by AlphaScreen assay


J Med Chem 57: 462-76 (2014)


Article DOI: 10.1021/jm401568s
BindingDB Entry DOI: 10.7270/Q2CC13PD
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50495432
PNG
(CHEMBL3108806)
Show SMILES CCC(=O)Nc1cc(ccc1C)-c1nn2c(C)nnc2c2ccccc12
Show InChI InChI=1S/C20H19N5O/c1-4-18(26)21-17-11-14(10-9-12(17)2)19-15-7-5-6-8-16(15)20-23-22-13(3)25(20)24-19/h5-11H,4H2,1-3H3,(H,21,26)
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University of Oxford

Curated by ChEMBL


Assay Description
Displacement of H4Ac4 peptide from BRD4 bromodomain-1 (unknown origin) by AlphaScreen assay


J Med Chem 57: 462-76 (2014)


Article DOI: 10.1021/jm401568s
BindingDB Entry DOI: 10.7270/Q2CC13PD
More data for this
Ligand-Target Pair
Chromatin remodeling regulator CECR2


(Homo sapiens (Human))
BDBM50495430
PNG
(CHEMBL3108803)
Show SMILES Cc1nnc2c3ccccc3c(nn12)-c1ccc(N2CCOCC2)c(NS(=O)(=O)c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C26H23ClN6O3S/c1-17-28-29-26-22-5-3-2-4-21(22)25(30-33(17)26)18-6-11-24(32-12-14-36-15-13-32)23(16-18)31-37(34,35)20-9-7-19(27)8-10-20/h2-11,16,31H,12-15H2,1H3
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University of Oxford

Curated by ChEMBL


Assay Description
Displacement of H4Ac4 peptide from CECR2 bromodomain (unknown origin) by AlphaScreen assay


J Med Chem 57: 462-76 (2014)


Article DOI: 10.1021/jm401568s
BindingDB Entry DOI: 10.7270/Q2CC13PD
More data for this
Ligand-Target Pair
Bromodomain adjacent to zinc finger domain protein 2B


(Homo sapiens (Human))
BDBM50495371
PNG
(CHEMBL3110247)
Show SMILES CC(=O)N1CCc2[nH]c3ccc(Cl)cc3c2C1
Show InChI InChI=1S/C13H13ClN2O/c1-8(17)16-5-4-13-11(7-16)10-6-9(14)2-3-12(10)15-13/h2-3,6,15H,4-5,7H2,1H3
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n/an/a 2.40E+4n/an/an/an/an/an/a



University of Cambridge

Curated by ChEMBL


Assay Description
Displacement of biotinylated H3Kac14 peptide from His6-tagged human BAZ2B expressed in Escherichia coli BL21(DE3) after 30 mins by AlphaLISA assay


J Med Chem 56: 10183-7 (2013)


Article DOI: 10.1021/jm401582c
BindingDB Entry DOI: 10.7270/Q2125WMB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain adjacent to zinc finger domain protein 2B


(Homo sapiens (Human))
BDBM50495390
PNG
(CHEMBL3110249)
Show SMILES CC(=O)N1CCc2c(C1)c1cc(Cl)ccc1n2C
Show InChI InChI=1S/C14H15ClN2O/c1-9(18)17-6-5-14-12(8-17)11-7-10(15)3-4-13(11)16(14)2/h3-4,7H,5-6,8H2,1-2H3
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University of Cambridge

Curated by ChEMBL


Assay Description
Displacement of biotinylated H3Kac14 peptide from His6-tagged human BAZ2B expressed in Escherichia coli BL21(DE3) after 30 mins by AlphaLISA assay


J Med Chem 56: 10183-7 (2013)


Article DOI: 10.1021/jm401582c
BindingDB Entry DOI: 10.7270/Q2125WMB
More data for this
Ligand-Target Pair
Chromatin remodeling regulator CECR2


(Homo sapiens (Human))
BDBM50495426
PNG
(CHEMBL3108801)
Show SMILES Cc1nnc2c3ccccc3c(nn12)-c1ccc(N2CCOCC2)c(NS(=O)(=O)c2ccccc2Cl)c1
Show InChI InChI=1S/C26H23ClN6O3S/c1-17-28-29-26-20-7-3-2-6-19(20)25(30-33(17)26)18-10-11-23(32-12-14-36-15-13-32)22(16-18)31-37(34,35)24-9-5-4-8-21(24)27/h2-11,16,31H,12-15H2,1H3
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n/an/a 2.51E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of H4Ac4 peptide from CECR2 bromodomain (unknown origin) by AlphaScreen assay


J Med Chem 57: 462-76 (2014)


Article DOI: 10.1021/jm401568s
BindingDB Entry DOI: 10.7270/Q2CC13PD
More data for this
Ligand-Target Pair
Bromodomain adjacent to zinc finger domain protein 2B


(Homo sapiens (Human))
BDBM50495385
PNG
(CHEMBL1542917)
Show SMILES CC(=O)N1CCc2[nH]c3ccc(C)cc3c2C1
Show InChI InChI=1S/C14H16N2O/c1-9-3-4-13-11(7-9)12-8-16(10(2)17)6-5-14(12)15-13/h3-4,7,15H,5-6,8H2,1-2H3
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University of Cambridge

Curated by ChEMBL


Assay Description
Displacement of biotinylated H3Kac14 peptide from His6-tagged human BAZ2B expressed in Escherichia coli BL21(DE3) after 30 mins by AlphaLISA assay


J Med Chem 56: 10183-7 (2013)


Article DOI: 10.1021/jm401582c
BindingDB Entry DOI: 10.7270/Q2125WMB
More data for this
Ligand-Target Pair
Bromodomain adjacent to zinc finger domain protein 2B


(Homo sapiens (Human))
BDBM50495373
PNG
(CHEMBL3110262)
Show SMILES COc1ccc2[nH]c3CCN(Cc3c2c1)C(C)=O
Show InChI InChI=1S/C14H16N2O2/c1-9(17)16-6-5-14-12(8-16)11-7-10(18-2)3-4-13(11)15-14/h3-4,7,15H,5-6,8H2,1-2H3
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University of Cambridge

Curated by ChEMBL


Assay Description
Displacement of biotinylated H3Kac14 peptide from His6-tagged human BAZ2B expressed in Escherichia coli BL21(DE3) after 30 mins by AlphaLISA assay


J Med Chem 56: 10183-7 (2013)


Article DOI: 10.1021/jm401582c
BindingDB Entry DOI: 10.7270/Q2125WMB
More data for this
Ligand-Target Pair
Bromodomain adjacent to zinc finger domain protein 2B


(Homo sapiens (Human))
BDBM50495371
PNG
(CHEMBL3110247)
Show SMILES CC(=O)N1CCc2[nH]c3ccc(Cl)cc3c2C1
Show InChI InChI=1S/C13H13ClN2O/c1-8(17)16-5-4-13-11(7-16)10-6-9(14)2-3-12(10)15-13/h2-3,6,15H,4-5,7H2,1H3
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n/an/a 3.70E+4n/an/an/an/an/an/a



University of Cambridge

Curated by ChEMBL


Assay Description
Displacement of biotinylated H3Kac14 peptide from His6-tagged human BAZ2B expressed in Escherichia coli BL21(DE3) after 30 mins by AlphaScreen assay


J Med Chem 56: 10183-7 (2013)


Article DOI: 10.1021/jm401582c
BindingDB Entry DOI: 10.7270/Q2125WMB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain adjacent to zinc finger domain protein 2B


(Homo sapiens (Human))
BDBM50495384
PNG
(CHEMBL3110229)
Show SMILES CC(=O)N1CCc2c(C1)c1cc(Br)ccc1n2C(C)=O
Show InChI InChI=1S/C15H15BrN2O2/c1-9(19)17-6-5-15-13(8-17)12-7-11(16)3-4-14(12)18(15)10(2)20/h3-4,7H,5-6,8H2,1-2H3
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University of Cambridge

Curated by ChEMBL


Assay Description
Displacement of biotinylated H3Kac14 peptide from His6-tagged human BAZ2B expressed in Escherichia coli BL21(DE3) after 30 mins by AlphaLISA assay


J Med Chem 56: 10183-7 (2013)


Article DOI: 10.1021/jm401582c
BindingDB Entry DOI: 10.7270/Q2125WMB
More data for this
Ligand-Target Pair
Bromodomain adjacent to zinc finger domain protein 2B


(Homo sapiens (Human))
BDBM50495372
PNG
(CHEMBL1526788)
Show SMILES CC(=O)N1CCc2[nH]c3ccccc3c2C1
Show InChI InChI=1S/C13H14N2O/c1-9(16)15-7-6-13-11(8-15)10-4-2-3-5-12(10)14-13/h2-5,14H,6-8H2,1H3
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n/an/a 3.70E+4n/an/an/an/an/an/a



University of Cambridge

Curated by ChEMBL


Assay Description
Displacement of biotinylated H3Kac14 peptide from His6-tagged human BAZ2B expressed in Escherichia coli BL21(DE3) after 30 mins by AlphaLISA assay


J Med Chem 56: 10183-7 (2013)


Article DOI: 10.1021/jm401582c
BindingDB Entry DOI: 10.7270/Q2125WMB
More data for this
Ligand-Target Pair
Bromodomain adjacent to zinc finger domain protein 2B


(Homo sapiens (Human))
BDBM50207717
PNG
(CHEMBL3110243)
Show SMILES CNC(=O)c1ccccc1OC1CCOCC1
Show InChI InChI=1S/C13H17NO3/c1-14-13(15)11-4-2-3-5-12(11)17-10-6-8-16-9-7-10/h2-5,10H,6-9H2,1H3,(H,14,15)
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n/an/a 3.80E+4n/an/an/an/an/an/a



University of Cambridge

Curated by ChEMBL


Assay Description
Displacement of biotinylated H3Kac14 peptide from His6-tagged human BAZ2B expressed in Escherichia coli BL21(DE3) after 30 mins by AlphaScreen assay


J Med Chem 56: 10183-7 (2013)


Article DOI: 10.1021/jm401582c
BindingDB Entry DOI: 10.7270/Q2125WMB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain adjacent to zinc finger domain protein 2B


(Homo sapiens (Human))
BDBM50495386
PNG
(CHEMBL3110256)
Show SMILES CC(=O)N1CCc2[nH]c3ccc(cc3c2C1)S(N)(=O)=O
Show InChI InChI=1S/C13H15N3O3S/c1-8(17)16-5-4-13-11(7-16)10-6-9(20(14,18)19)2-3-12(10)15-13/h2-3,6,15H,4-5,7H2,1H3,(H2,14,18,19)
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n/an/a 4.60E+4n/an/an/an/an/an/a



University of Cambridge

Curated by ChEMBL


Assay Description
Displacement of biotinylated H3Kac14 peptide from His6-tagged human BAZ2B expressed in Escherichia coli BL21(DE3) after 30 mins by AlphaLISA assay


J Med Chem 56: 10183-7 (2013)


Article DOI: 10.1021/jm401582c
BindingDB Entry DOI: 10.7270/Q2125WMB
More data for this
Ligand-Target Pair
Bromodomain adjacent to zinc finger domain protein 2B


(Homo sapiens (Human))
BDBM50495364
PNG
(CHEMBL3110257)
Show SMILES CCNS(=O)(=O)c1ccc2[nH]c3CCN(Cc3c2c1)C(C)=O
Show InChI InChI=1S/C15H19N3O3S/c1-3-16-22(20,21)11-4-5-14-12(8-11)13-9-18(10(2)19)7-6-15(13)17-14/h4-5,8,16-17H,3,6-7,9H2,1-2H3
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n/an/a 5.00E+4n/an/an/an/an/an/a



University of Cambridge

Curated by ChEMBL


Assay Description
Displacement of biotinylated H3Kac14 peptide from His6-tagged human BAZ2B expressed in Escherichia coli BL21(DE3) after 30 mins by AlphaLISA assay


J Med Chem 56: 10183-7 (2013)


Article DOI: 10.1021/jm401582c
BindingDB Entry DOI: 10.7270/Q2125WMB
More data for this
Ligand-Target Pair
Bromodomain adjacent to zinc finger domain protein 2B


(Homo sapiens (Human))
BDBM50495375
PNG
(CHEMBL3110258)
Show SMILES CNS(=O)(=O)c1ccc2[nH]c3CCN(Cc3c2c1)C(C)=O
Show InChI InChI=1S/C14H17N3O3S/c1-9(18)17-6-5-14-12(8-17)11-7-10(21(19,20)15-2)3-4-13(11)16-14/h3-4,7,15-16H,5-6,8H2,1-2H3
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n/an/a 5.50E+4n/an/an/an/an/an/a



University of Cambridge

Curated by ChEMBL


Assay Description
Displacement of biotinylated H3Kac14 peptide from His6-tagged human BAZ2B expressed in Escherichia coli BL21(DE3) after 30 mins by AlphaLISA assay


J Med Chem 56: 10183-7 (2013)


Article DOI: 10.1021/jm401582c
BindingDB Entry DOI: 10.7270/Q2125WMB
More data for this
Ligand-Target Pair
Bromodomain adjacent to zinc finger domain protein 2B


(Homo sapiens (Human))
BDBM50495387
PNG
(CHEMBL3110250)
Show SMILES CC(=O)N1CCc2c(C1)c1cc(Cl)ccc1n2CCC(O)=O
Show InChI InChI=1S/C16H17ClN2O3/c1-10(20)18-6-4-15-13(9-18)12-8-11(17)2-3-14(12)19(15)7-5-16(21)22/h2-3,8H,4-7,9H2,1H3,(H,21,22)
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n/an/a 6.60E+4n/an/an/an/an/an/a



University of Cambridge

Curated by ChEMBL


Assay Description
Displacement of biotinylated H3Kac14 peptide from His6-tagged human BAZ2B expressed in Escherichia coli BL21(DE3) after 30 mins by AlphaLISA assay


J Med Chem 56: 10183-7 (2013)


Article DOI: 10.1021/jm401582c
BindingDB Entry DOI: 10.7270/Q2125WMB
More data for this
Ligand-Target Pair
Bromodomain adjacent to zinc finger domain protein 2B


(Homo sapiens (Human))
BDBM50495376
PNG
(CHEMBL3110253)
Show SMILES CNC(=O)Cn1c2CCN(Cc2c2cc(Cl)ccc12)C(C)=O
Show InChI InChI=1S/C16H18ClN3O2/c1-10(21)19-6-5-15-13(8-19)12-7-11(17)3-4-14(12)20(15)9-16(22)18-2/h3-4,7H,5-6,8-9H2,1-2H3,(H,18,22)
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n/an/a 6.90E+4n/an/an/an/an/an/a



University of Cambridge

Curated by ChEMBL


Assay Description
Displacement of biotinylated H3Kac14 peptide from His6-tagged human BAZ2B expressed in Escherichia coli BL21(DE3) after 30 mins by AlphaLISA assay


J Med Chem 56: 10183-7 (2013)


Article DOI: 10.1021/jm401582c
BindingDB Entry DOI: 10.7270/Q2125WMB
More data for this
Ligand-Target Pair
Bromodomain adjacent to zinc finger domain protein 2B


(Homo sapiens (Human))
BDBM50495429
PNG
(CHEMBL3108781)
Show SMILES CN(C)S(=O)(=O)c1cc(ccc1C)-c1nn2c(C)nnc2c2ccccc12
Show InChI InChI=1S/C19H19N5O2S/c1-12-9-10-14(11-17(12)27(25,26)23(3)4)18-15-7-5-6-8-16(15)19-21-20-13(2)24(19)22-18/h5-11H,1-4H3
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n/an/a<1.00E+5n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of H3K14(Ac) peptide from BAZ2B bromodomain (unknown origin) by AlphaScreen assay


J Med Chem 57: 462-76 (2014)


Article DOI: 10.1021/jm401568s
BindingDB Entry DOI: 10.7270/Q2CC13PD
More data for this
Ligand-Target Pair
Bromodomain adjacent to zinc finger domain protein 2B


(Homo sapiens (Human))
BDBM50495428
PNG
(CHEMBL3110357)
Show SMILES Cc1nnc2c3ccccc3c(nn12)-c1ccc(C)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C18H17N5O2S/c1-11-8-9-13(10-16(11)22-26(3,24)25)17-14-6-4-5-7-15(14)18-20-19-12(2)23(18)21-17/h4-10,22H,1-3H3
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University of Oxford

Curated by ChEMBL


Assay Description
Displacement of H3K14(Ac) peptide from BAZ2B bromodomain (unknown origin) by AlphaScreen assay


J Med Chem 57: 462-76 (2014)


Article DOI: 10.1021/jm401568s
BindingDB Entry DOI: 10.7270/Q2CC13PD
More data for this
Ligand-Target Pair
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