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Compile Data Set for Download or QSAR

Found 80 hits Enz. Inhib. hit(s) with all data for entry = 50000989   
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
Peregrin


(Homo sapiens (Human))
BDBM50249810
PNG
(CHEMBL4102050)
Show SMILES Cc1cc2cc(NS(=O)(=O)c3ccc(cc3)C#N)ccc2n(C)c1=O
Show InChI InChI=1S/C18H15N3O3S/c1-12-9-14-10-15(5-8-17(14)21(2)18(12)22)20-25(23,24)16-6-3-13(11-19)4-7-16/h3-10,20H,1-2H3
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n/an/a 7.90n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of human BRPF1 expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay


J Med Chem 60: 668-680 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5
More data for this
Ligand-Target Pair
Peregrin


(Homo sapiens (Human))
BDBM50249785
PNG
(CHEMBL4069814)
Show SMILES COc1ccccc1S(=O)(=O)Nc1ccc2n(C)c(=O)c(C)cc2c1
Show InChI InChI=1S/C18H18N2O4S/c1-12-10-13-11-14(8-9-15(13)20(2)18(12)21)19-25(22,23)17-7-5-4-6-16(17)24-3/h4-11,19H,1-3H3
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n/an/a 9n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of human BRPF1 expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay


J Med Chem 60: 668-680 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5
More data for this
Ligand-Target Pair
Peregrin


(Homo sapiens (Human))
BDBM50267002
PNG
(CHEMBL4097011)
Show SMILES CCn1c2ccc(NS(=O)(=O)c3ccc(cc3)C#N)cc2cc(C)c1=O
Show InChI InChI=1S/C19H17N3O3S/c1-3-22-18-9-6-16(11-15(18)10-13(2)19(22)23)21-26(24,25)17-7-4-14(12-20)5-8-17/h4-11,21H,3H2,1-2H3
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n/an/a 15n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of human BRPF1 expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay


J Med Chem 60: 668-680 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5
More data for this
Ligand-Target Pair
Peregrin


(Homo sapiens (Human))
BDBM50249770
PNG
(CHEMBL4076056)
Show SMILES Cn1c2ccc(NS(=O)(=O)c3ccc(cc3)C#N)cc2ccc1=O
Show InChI InChI=1S/C17H13N3O3S/c1-20-16-8-5-14(10-13(16)4-9-17(20)21)19-24(22,23)15-6-2-12(11-18)3-7-15/h2-10,19H,1H3
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n/an/a 43n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of human BRPF1 expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay


J Med Chem 60: 668-680 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5
More data for this
Ligand-Target Pair
Peregrin


(Homo sapiens (Human))
BDBM50267005
PNG
(CHEMBL4099455)
Show SMILES Cn1c2ccc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)cc2ccc1=O
Show InChI InChI=1S/C16H12Cl2N2O3S/c1-20-15-6-3-11(8-10(15)2-7-16(20)21)19-24(22,23)12-4-5-13(17)14(18)9-12/h2-9,19H,1H3
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n/an/a 44n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of human BRPF1 expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay


J Med Chem 60: 668-680 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5
More data for this
Ligand-Target Pair
Bromodomain-containing protein 1


(Homo sapiens (Human))
BDBM50249810
PNG
(CHEMBL4102050)
Show SMILES Cc1cc2cc(NS(=O)(=O)c3ccc(cc3)C#N)ccc2n(C)c1=O
Show InChI InChI=1S/C18H15N3O3S/c1-12-9-14-10-15(5-8-17(14)21(2)18(12)22)20-25(23,24)16-6-3-13(11-19)4-7-16/h3-10,20H,1-2H3
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n/an/a 48n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of human BRPF2-BRD1 expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay


J Med Chem 60: 668-680 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5
More data for this
Ligand-Target Pair
Peregrin


(Homo sapiens (Human))
BDBM50249816
PNG
(CHEMBL4103432)
Show SMILES Cn1c2ccc(NS(=O)(=O)c3cccc(c3)C#N)cc2ccc1=O
Show InChI InChI=1S/C17H13N3O3S/c1-20-16-7-6-14(10-13(16)5-8-17(20)21)19-24(22,23)15-4-2-3-12(9-15)11-18/h2-10,19H,1H3
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n/an/a 56n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of human BRPF1 expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay


J Med Chem 60: 668-680 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5
More data for this
Ligand-Target Pair
Peregrin


(Homo sapiens (Human))
BDBM50267004
PNG
(CHEMBL4096095)
Show SMILES COc1cc2n(C)c(=O)cc(C)c2cc1NS(=O)(=O)c1ccc(cc1)C#N
Show InChI InChI=1S/C19H17N3O4S/c1-12-8-19(23)22(2)17-10-18(26-3)16(9-15(12)17)21-27(24,25)14-6-4-13(11-20)5-7-14/h4-10,21H,1-3H3
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n/an/a 60n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of human BRPF1 expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay


J Med Chem 60: 668-680 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peregrin


(Homo sapiens (Human))
BDBM50267003
PNG
(CHEMBL4081438)
Show SMILES Cn1c2ccc(NS(=O)(=O)c3ccc(C#N)c(Cl)c3)cc2ccc1=O
Show InChI InChI=1S/C17H12ClN3O3S/c1-21-16-6-4-13(8-11(16)3-7-17(21)22)20-25(23,24)14-5-2-12(10-19)15(18)9-14/h2-9,20H,1H3
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n/an/a 62n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of human BRPF1 expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay


J Med Chem 60: 668-680 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5
More data for this
Ligand-Target Pair
Peregrin


(Homo sapiens (Human))
BDBM50249772
PNG
(CHEMBL4067436)
Show SMILES Cn1c2ccc(NS(=O)(=O)c3ccccc3)cc2ccc1=O
Show InChI InChI=1S/C16H14N2O3S/c1-18-15-9-8-13(11-12(15)7-10-16(18)19)17-22(20,21)14-5-3-2-4-6-14/h2-11,17H,1H3
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n/an/a 65n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of human BRPF1 expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay


J Med Chem 60: 668-680 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5
More data for this
Ligand-Target Pair
Bromodomain-containing protein 7


(Homo sapiens (Human))
BDBM50249810
PNG
(CHEMBL4102050)
Show SMILES Cc1cc2cc(NS(=O)(=O)c3ccc(cc3)C#N)ccc2n(C)c1=O
Show InChI InChI=1S/C18H15N3O3S/c1-12-9-14-10-15(5-8-17(14)21(2)18(12)22)20-25(23,24)16-6-3-13(11-19)4-7-16/h3-10,20H,1-2H3
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n/an/a 82n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of human BRD7 expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay


J Med Chem 60: 668-680 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5
More data for this
Ligand-Target Pair
Bromodomain-containing protein 1


(Homo sapiens (Human))
BDBM50249785
PNG
(CHEMBL4069814)
Show SMILES COc1ccccc1S(=O)(=O)Nc1ccc2n(C)c(=O)c(C)cc2c1
Show InChI InChI=1S/C18H18N2O4S/c1-12-10-13-11-14(8-9-15(13)20(2)18(12)21)19-25(22,23)17-7-5-4-6-16(17)24-3/h4-11,19H,1-3H3
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n/an/a 130n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of human BRPF2-BRD1 expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay


J Med Chem 60: 668-680 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5
More data for this
Ligand-Target Pair
Peregrin


(Homo sapiens (Human))
BDBM50249810
PNG
(CHEMBL4102050)
Show SMILES Cc1cc2cc(NS(=O)(=O)c3ccc(cc3)C#N)ccc2n(C)c1=O
Show InChI InChI=1S/C18H15N3O3S/c1-12-9-14-10-15(5-8-17(14)21(2)18(12)22)20-25(23,24)16-6-3-13(11-19)4-7-16/h3-10,20H,1-2H3
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n/an/a 140n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of human His tagged BRPF1 incubated for 30 mins followed by addition of biotinylated peptide and further incubation for 30 mins measured b...


J Med Chem 60: 668-680 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5
More data for this
Ligand-Target Pair
Peregrin


(Homo sapiens (Human))
BDBM50249809
PNG
(CHEMBL4080511)
Show SMILES CCc1cc2cc(NS(=O)(=O)c3ccc(cc3)C#N)ccc2n(C)c1=O
Show InChI InChI=1S/C19H17N3O3S/c1-3-14-10-15-11-16(6-9-18(15)22(2)19(14)23)21-26(24,25)17-7-4-13(12-20)5-8-17/h4-11,21H,3H2,1-2H3
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n/an/a 180n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of human BRPF1 expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay


J Med Chem 60: 668-680 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5
More data for this
Ligand-Target Pair
Peregrin


(Homo sapiens (Human))
BDBM50267006
PNG
(CHEMBL4079041)
Show SMILES Cc1cc2cc(N)ccc2n(C)c1=O
Show InChI InChI=1S/C11H12N2O/c1-7-5-8-6-9(12)3-4-10(8)13(2)11(7)14/h3-6H,12H2,1-2H3
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n/an/a 190n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of human BRPF1 expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay


J Med Chem 60: 668-680 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5
More data for this
Ligand-Target Pair
Bromodomain-containing protein 1


(Homo sapiens (Human))
BDBM50249770
PNG
(CHEMBL4076056)
Show SMILES Cn1c2ccc(NS(=O)(=O)c3ccc(cc3)C#N)cc2ccc1=O
Show InChI InChI=1S/C17H13N3O3S/c1-20-16-8-5-14(10-13(16)4-9-17(20)21)19-24(22,23)15-6-2-12(11-18)3-7-15/h2-10,19H,1H3
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n/an/a 200n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of human BRPF2-BRD1 expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay


J Med Chem 60: 668-680 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5
More data for this
Ligand-Target Pair
Bromodomain-containing protein 9


(Homo sapiens (Human))
BDBM50249772
PNG
(CHEMBL4067436)
Show SMILES Cn1c2ccc(NS(=O)(=O)c3ccccc3)cc2ccc1=O
Show InChI InChI=1S/C16H14N2O3S/c1-18-15-9-8-13(11-12(15)7-10-16(18)19)17-22(20,21)14-5-3-2-4-6-14/h2-11,17H,1H3
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n/an/a 220n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of human BRD9 expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay


J Med Chem 60: 668-680 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5
More data for this
Ligand-Target Pair
Peregrin


(Homo sapiens (Human))
BDBM50267008
PNG
(CHEMBL4078047)
Show SMILES COc1ccccc1C(=O)Nc1cc2cc(C)c(=O)n(C)c2cc1N1CCCC1
Show InChI InChI=1S/C23H25N3O3/c1-15-12-16-13-18(24-22(27)17-8-4-5-9-21(17)29-3)20(26-10-6-7-11-26)14-19(16)25(2)23(15)28/h4-5,8-9,12-14H,6-7,10-11H2,1-3H3,(H,24,27)
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University College London

Curated by ChEMBL


Assay Description
Inhibition of human BRPF1 expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay


J Med Chem 60: 668-680 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5
More data for this
Ligand-Target Pair
Bromodomain-containing protein 1


(Homo sapiens (Human))
BDBM50267005
PNG
(CHEMBL4099455)
Show SMILES Cn1c2ccc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)cc2ccc1=O
Show InChI InChI=1S/C16H12Cl2N2O3S/c1-20-15-6-3-11(8-10(15)2-7-16(20)21)19-24(22,23)12-4-5-13(17)14(18)9-12/h2-9,19H,1H3
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n/an/a 230n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of human BRPF2-BRD1 expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay


J Med Chem 60: 668-680 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5
More data for this
Ligand-Target Pair
Bromodomain and PHD finger-containing protein 3


(Homo sapiens (Human))
BDBM50249810
PNG
(CHEMBL4102050)
Show SMILES Cc1cc2cc(NS(=O)(=O)c3ccc(cc3)C#N)ccc2n(C)c1=O
Show InChI InChI=1S/C18H15N3O3S/c1-12-9-14-10-15(5-8-17(14)21(2)18(12)22)20-25(23,24)16-6-3-13(11-19)4-7-16/h3-10,20H,1-2H3
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n/an/a 260n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of human BRPF3 expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay


J Med Chem 60: 668-680 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5
More data for this
Ligand-Target Pair
Bromodomain-containing protein 1


(Homo sapiens (Human))
BDBM50249816
PNG
(CHEMBL4103432)
Show SMILES Cn1c2ccc(NS(=O)(=O)c3cccc(c3)C#N)cc2ccc1=O
Show InChI InChI=1S/C17H13N3O3S/c1-20-16-7-6-14(10-13(16)5-8-17(20)21)19-24(22,23)15-4-2-3-12(9-15)11-18/h2-10,19H,1H3
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n/an/a 270n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of human BRPF2-BRD1 expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay


J Med Chem 60: 668-680 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5
More data for this
Ligand-Target Pair
Bromodomain-containing protein 9


(Homo sapiens (Human))
BDBM50249810
PNG
(CHEMBL4102050)
Show SMILES Cc1cc2cc(NS(=O)(=O)c3ccc(cc3)C#N)ccc2n(C)c1=O
Show InChI InChI=1S/C18H15N3O3S/c1-12-9-14-10-15(5-8-17(14)21(2)18(12)22)20-25(23,24)16-6-3-13(11-19)4-7-16/h3-10,20H,1-2H3
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n/an/a 310n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of human BRD9 expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay


J Med Chem 60: 668-680 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5
More data for this
Ligand-Target Pair
Bromodomain-containing protein 9


(Homo sapiens (Human))
BDBM50267008
PNG
(CHEMBL4078047)
Show SMILES COc1ccccc1C(=O)Nc1cc2cc(C)c(=O)n(C)c2cc1N1CCCC1
Show InChI InChI=1S/C23H25N3O3/c1-15-12-16-13-18(24-22(27)17-8-4-5-9-21(17)29-3)20(26-10-6-7-11-26)14-19(16)25(2)23(15)28/h4-5,8-9,12-14H,6-7,10-11H2,1-3H3,(H,24,27)
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n/an/a 420n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of human BRD9 expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay


J Med Chem 60: 668-680 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5
More data for this
Ligand-Target Pair
Peregrin


(Homo sapiens (Human))
BDBM50249771
PNG
(CHEMBL4070377)
Show SMILES Cn1c2ccc(NS(=O)(=O)c3ccccc3C#N)cc2ccc1=O
Show InChI InChI=1S/C17H13N3O3S/c1-20-15-8-7-14(10-12(15)6-9-17(20)21)19-24(22,23)16-5-3-2-4-13(16)11-18/h2-10,19H,1H3
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n/an/a 430n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of human BRPF1 expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay


J Med Chem 60: 668-680 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5
More data for this
Ligand-Target Pair
Bromodomain-containing protein 1


(Homo sapiens (Human))
BDBM50267003
PNG
(CHEMBL4081438)
Show SMILES Cn1c2ccc(NS(=O)(=O)c3ccc(C#N)c(Cl)c3)cc2ccc1=O
Show InChI InChI=1S/C17H12ClN3O3S/c1-21-16-6-4-13(8-11(16)3-7-17(21)22)20-25(23,24)14-5-2-12(10-19)15(18)9-14/h2-9,20H,1H3
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n/an/a 450n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of human BRPF2-BRD1 expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay


J Med Chem 60: 668-680 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50249785
PNG
(CHEMBL4069814)
Show SMILES COc1ccccc1S(=O)(=O)Nc1ccc2n(C)c(=O)c(C)cc2c1
Show InChI InChI=1S/C18H18N2O4S/c1-12-10-13-11-14(8-9-15(13)20(2)18(12)21)19-25(22,23)17-7-5-4-6-16(17)24-3/h4-11,19H,1-3H3
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n/an/a 600n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of human BRD4-BD1 expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay


J Med Chem 60: 668-680 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5
More data for this
Ligand-Target Pair
Bromodomain-containing protein 1


(Homo sapiens (Human))
BDBM50249810
PNG
(CHEMBL4102050)
Show SMILES Cc1cc2cc(NS(=O)(=O)c3ccc(cc3)C#N)ccc2n(C)c1=O
Show InChI InChI=1S/C18H15N3O3S/c1-12-9-14-10-15(5-8-17(14)21(2)18(12)22)20-25(23,24)16-6-3-13(11-19)4-7-16/h3-10,20H,1-2H3
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n/an/a 760n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of human His tagged BRPF2 incubated for 30 mins followed by addition of biotinylated peptide and further incubation for 30 mins measured b...


J Med Chem 60: 668-680 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5
More data for this
Ligand-Target Pair
Bromodomain-containing protein 9


(Homo sapiens (Human))
BDBM50267004
PNG
(CHEMBL4096095)
Show SMILES COc1cc2n(C)c(=O)cc(C)c2cc1NS(=O)(=O)c1ccc(cc1)C#N
Show InChI InChI=1S/C19H17N3O4S/c1-12-8-19(23)22(2)17-10-18(26-3)16(9-15(12)17)21-27(24,25)14-6-4-13(11-20)5-7-14/h4-10,21H,1-3H3
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n/an/a 890n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of human BRD9 expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay


J Med Chem 60: 668-680 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5
More data for this
Ligand-Target Pair
Bromodomain-containing protein 9


(Homo sapiens (Human))
BDBM50249770
PNG
(CHEMBL4076056)
Show SMILES Cn1c2ccc(NS(=O)(=O)c3ccc(cc3)C#N)cc2ccc1=O
Show InChI InChI=1S/C17H13N3O3S/c1-20-16-8-5-14(10-13(16)4-9-17(20)21)19-24(22,23)15-6-2-12(11-18)3-7-15/h2-10,19H,1H3
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n/an/a 910n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of human BRD9 expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay


J Med Chem 60: 668-680 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5
More data for this
Ligand-Target Pair
Bromodomain and PHD finger-containing protein 3


(Homo sapiens (Human))
BDBM50249770
PNG
(CHEMBL4076056)
Show SMILES Cn1c2ccc(NS(=O)(=O)c3ccc(cc3)C#N)cc2ccc1=O
Show InChI InChI=1S/C17H13N3O3S/c1-20-16-8-5-14(10-13(16)4-9-17(20)21)19-24(22,23)15-6-2-12(11-18)3-7-15/h2-10,19H,1H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of human BRPF3 expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay


J Med Chem 60: 668-680 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5
More data for this
Ligand-Target Pair
Bromodomain-containing protein 9


(Homo sapiens (Human))
BDBM50249810
PNG
(CHEMBL4102050)
Show SMILES Cc1cc2cc(NS(=O)(=O)c3ccc(cc3)C#N)ccc2n(C)c1=O
Show InChI InChI=1S/C18H15N3O3S/c1-12-9-14-10-15(5-8-17(14)21(2)18(12)22)20-25(23,24)16-6-3-13(11-19)4-7-16/h3-10,20H,1-2H3
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n/an/a 1.10E+3n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of human His tagged BRD9 incubated for 30 mins followed by addition of biotinylated peptide and further incubation for 30 mins measured by...


J Med Chem 60: 668-680 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5
More data for this
Ligand-Target Pair
Bromodomain-containing protein 1


(Homo sapiens (Human))
BDBM50249772
PNG
(CHEMBL4067436)
Show SMILES Cn1c2ccc(NS(=O)(=O)c3ccccc3)cc2ccc1=O
Show InChI InChI=1S/C16H14N2O3S/c1-18-15-9-8-13(11-12(15)7-10-16(18)19)17-22(20,21)14-5-3-2-4-6-14/h2-11,17H,1H3
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n/an/a 1.40E+3n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of human BRPF2-BRD1 expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay


J Med Chem 60: 668-680 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50249772
PNG
(CHEMBL4067436)
Show SMILES Cn1c2ccc(NS(=O)(=O)c3ccccc3)cc2ccc1=O
Show InChI InChI=1S/C16H14N2O3S/c1-18-15-9-8-13(11-12(15)7-10-16(18)19)17-22(20,21)14-5-3-2-4-6-14/h2-11,17H,1H3
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n/an/a 1.70E+3n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of human BRD4-BD1 expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay


J Med Chem 60: 668-680 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5
More data for this
Ligand-Target Pair
Bromodomain-containing protein 1


(Homo sapiens (Human))
BDBM50249771
PNG
(CHEMBL4070377)
Show SMILES Cn1c2ccc(NS(=O)(=O)c3ccccc3C#N)cc2ccc1=O
Show InChI InChI=1S/C17H13N3O3S/c1-20-15-8-7-14(10-12(15)6-9-17(20)21)19-24(22,23)16-5-3-2-4-13(16)11-18/h2-10,19H,1H3
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n/an/a 1.70E+3n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of human BRPF2-BRD1 expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay


J Med Chem 60: 668-680 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5
More data for this
Ligand-Target Pair
Bromodomain-containing protein 1


(Homo sapiens (Human))
BDBM50267004
PNG
(CHEMBL4096095)
Show SMILES COc1cc2n(C)c(=O)cc(C)c2cc1NS(=O)(=O)c1ccc(cc1)C#N
Show InChI InChI=1S/C19H17N3O4S/c1-12-8-19(23)22(2)17-10-18(26-3)16(9-15(12)17)21-27(24,25)14-6-4-13(11-20)5-7-14/h4-10,21H,1-3H3
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n/an/a 1.80E+3n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of human BRPF2-BRD1 expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay


J Med Chem 60: 668-680 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5
More data for this
Ligand-Target Pair
Bromodomain and PHD finger-containing protein 3


(Homo sapiens (Human))
BDBM50249810
PNG
(CHEMBL4102050)
Show SMILES Cc1cc2cc(NS(=O)(=O)c3ccc(cc3)C#N)ccc2n(C)c1=O
Show InChI InChI=1S/C18H15N3O3S/c1-12-9-14-10-15(5-8-17(14)21(2)18(12)22)20-25(23,24)16-6-3-13(11-19)4-7-16/h3-10,20H,1-2H3
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n/an/a 2.00E+3n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of human His tagged BRPF3 incubated for 30 mins followed by addition of biotinylated peptide and further incubation for 30 mins measured b...


J Med Chem 60: 668-680 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5
More data for this
Ligand-Target Pair
Peregrin


(Homo sapiens (Human))
BDBM50267007
PNG
(CHEMBL4095549)
Show SMILES Cn1c2ccc(N)cc2ccc1=O
Show InChI InChI=1S/C10H10N2O/c1-12-9-4-3-8(11)6-7(9)2-5-10(12)13/h2-6H,11H2,1H3
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n/an/a 2.10E+3n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of human BRPF1 expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay


J Med Chem 60: 668-680 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5
More data for this
Ligand-Target Pair
Bromodomain and PHD finger-containing protein 3


(Homo sapiens (Human))
BDBM50267003
PNG
(CHEMBL4081438)
Show SMILES Cn1c2ccc(NS(=O)(=O)c3ccc(C#N)c(Cl)c3)cc2ccc1=O
Show InChI InChI=1S/C17H12ClN3O3S/c1-21-16-6-4-13(8-11(16)3-7-17(21)22)20-25(23,24)14-5-2-12(10-19)15(18)9-14/h2-9,20H,1H3
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n/an/a 2.30E+3n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of human BRPF3 expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay


J Med Chem 60: 668-680 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5
More data for this
Ligand-Target Pair
Bromodomain-containing protein 9


(Homo sapiens (Human))
BDBM50267003
PNG
(CHEMBL4081438)
Show SMILES Cn1c2ccc(NS(=O)(=O)c3ccc(C#N)c(Cl)c3)cc2ccc1=O
Show InChI InChI=1S/C17H12ClN3O3S/c1-21-16-6-4-13(8-11(16)3-7-17(21)22)20-25(23,24)14-5-2-12(10-19)15(18)9-14/h2-9,20H,1H3
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n/an/a 2.50E+3n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of human BRD9 expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay


J Med Chem 60: 668-680 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5
More data for this
Ligand-Target Pair
Bromodomain-containing protein 1


(Homo sapiens (Human))
BDBM50267008
PNG
(CHEMBL4078047)
Show SMILES COc1ccccc1C(=O)Nc1cc2cc(C)c(=O)n(C)c2cc1N1CCCC1
Show InChI InChI=1S/C23H25N3O3/c1-15-12-16-13-18(24-22(27)17-8-4-5-9-21(17)29-3)20(26-10-6-7-11-26)14-19(16)25(2)23(15)28/h4-5,8-9,12-14H,6-7,10-11H2,1-3H3,(H,24,27)
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n/an/a 2.60E+3n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of human BRPF2-BRD1 expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay


J Med Chem 60: 668-680 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50249770
PNG
(CHEMBL4076056)
Show SMILES Cn1c2ccc(NS(=O)(=O)c3ccc(cc3)C#N)cc2ccc1=O
Show InChI InChI=1S/C17H13N3O3S/c1-20-16-8-5-14(10-13(16)4-9-17(20)21)19-24(22,23)15-6-2-12(11-18)3-7-15/h2-10,19H,1H3
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n/an/a 2.80E+3n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of human BRD4-BD1 expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay


J Med Chem 60: 668-680 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50249810
PNG
(CHEMBL4102050)
Show SMILES Cc1cc2cc(NS(=O)(=O)c3ccc(cc3)C#N)ccc2n(C)c1=O
Show InChI InChI=1S/C18H15N3O3S/c1-12-9-14-10-15(5-8-17(14)21(2)18(12)22)20-25(23,24)16-6-3-13(11-19)4-7-16/h3-10,20H,1-2H3
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n/an/a 4.50E+3n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of human BRD4-BD1 expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay


J Med Chem 60: 668-680 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50267008
PNG
(CHEMBL4078047)
Show SMILES COc1ccccc1C(=O)Nc1cc2cc(C)c(=O)n(C)c2cc1N1CCCC1
Show InChI InChI=1S/C23H25N3O3/c1-15-12-16-13-18(24-22(27)17-8-4-5-9-21(17)29-3)20(26-10-6-7-11-26)14-19(16)25(2)23(15)28/h4-5,8-9,12-14H,6-7,10-11H2,1-3H3,(H,24,27)
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n/an/a 4.60E+3n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of human BRD4-BD1 expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay


J Med Chem 60: 668-680 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5
More data for this
Ligand-Target Pair
Peregrin


(Homo sapiens (Human))
BDBM50157646
PNG
(CHEMBL216146)
Show SMILES Cn1c2ccccc2ccc1=O
Show InChI InChI=1S/C10H9NO/c1-11-9-5-3-2-4-8(9)6-7-10(11)12/h2-7H,1H3
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n/an/a 4.80E+3n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of human BRPF1 expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay


J Med Chem 60: 668-680 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50267003
PNG
(CHEMBL4081438)
Show SMILES Cn1c2ccc(NS(=O)(=O)c3ccc(C#N)c(Cl)c3)cc2ccc1=O
Show InChI InChI=1S/C17H12ClN3O3S/c1-21-16-6-4-13(8-11(16)3-7-17(21)22)20-25(23,24)14-5-2-12(10-19)15(18)9-14/h2-9,20H,1H3
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n/an/a 7.20E+3n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of human BRD4-BD1 expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay


J Med Chem 60: 668-680 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5
More data for this
Ligand-Target Pair
Bromodomain and PHD finger-containing protein 3


(Homo sapiens (Human))
BDBM50249772
PNG
(CHEMBL4067436)
Show SMILES Cn1c2ccc(NS(=O)(=O)c3ccccc3)cc2ccc1=O
Show InChI InChI=1S/C16H14N2O3S/c1-18-15-9-8-13(11-12(15)7-10-16(18)19)17-22(20,21)14-5-3-2-4-6-14/h2-11,17H,1H3
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n/an/a 7.60E+3n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of human BRPF3 expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay


J Med Chem 60: 668-680 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5
More data for this
Ligand-Target Pair
Bromodomain and PHD finger-containing protein 3


(Homo sapiens (Human))
BDBM50267004
PNG
(CHEMBL4096095)
Show SMILES COc1cc2n(C)c(=O)cc(C)c2cc1NS(=O)(=O)c1ccc(cc1)C#N
Show InChI InChI=1S/C19H17N3O4S/c1-12-8-19(23)22(2)17-10-18(26-3)16(9-15(12)17)21-27(24,25)14-6-4-13(11-20)5-7-14/h4-10,21H,1-3H3
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n/an/a 9.30E+3n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of human BRPF3 expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay


J Med Chem 60: 668-680 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5
More data for this
Ligand-Target Pair
Bromodomain and PHD finger-containing protein 3


(Homo sapiens (Human))
BDBM50267008
PNG
(CHEMBL4078047)
Show SMILES COc1ccccc1C(=O)Nc1cc2cc(C)c(=O)n(C)c2cc1N1CCCC1
Show InChI InChI=1S/C23H25N3O3/c1-15-12-16-13-18(24-22(27)17-8-4-5-9-21(17)29-3)20(26-10-6-7-11-26)14-19(16)25(2)23(15)28/h4-5,8-9,12-14H,6-7,10-11H2,1-3H3,(H,24,27)
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n/an/a 1.20E+4n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of human BRPF3 expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay


J Med Chem 60: 668-680 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5
More data for this
Ligand-Target Pair
Bromodomain-containing protein 9


(Homo sapiens (Human))
BDBM50157646
PNG
(CHEMBL216146)
Show SMILES Cn1c2ccccc2ccc1=O
Show InChI InChI=1S/C10H9NO/c1-11-9-5-3-2-4-8(9)6-7-10(11)12/h2-7H,1H3
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n/an/a 1.40E+4n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of human BRD9 expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay


J Med Chem 60: 668-680 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50267004
PNG
(CHEMBL4096095)
Show SMILES COc1cc2n(C)c(=O)cc(C)c2cc1NS(=O)(=O)c1ccc(cc1)C#N
Show InChI InChI=1S/C19H17N3O4S/c1-12-8-19(23)22(2)17-10-18(26-3)16(9-15(12)17)21-27(24,25)14-6-4-13(11-20)5-7-14/h4-10,21H,1-3H3
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n/an/a 1.70E+4n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of human BRD4-BD1 expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay


J Med Chem 60: 668-680 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5
More data for this
Ligand-Target Pair
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