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Compile Data Set for Download or QSAR

Found 56 hits of ic50 data for polymerid = 50006711   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Bromodomain-containing protein 1


(Homo sapiens (Human))
BDBM50266285
PNG
(CHEMBL4086276)
Show SMILES Cc1cc2n(C)c(=O)n(C)c2cc1N1C(=O)c2cccc3c(CCCO)ccc(C1=O)c23
Show InChI InChI=1S/C25H23N3O4/c1-14-12-20-21(27(3)25(32)26(20)2)13-19(14)28-23(30)17-8-4-7-16-15(6-5-11-29)9-10-18(22(16)17)24(28)31/h4,7-10,12-13,29H,5-6,11H2,1-3H3
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n/an/a 6n/an/an/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant human BRD1 (E556 to A688 residues) expressed in bacterial expression system by BROMOscan assay


J Med Chem 60: 157-169 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00923
BindingDB Entry DOI: 10.7270/Q2TM7DMZ
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
Bromodomain-containing protein 1


(Homo sapiens (Human))
BDBM50148549
PNG
(4-Bromo-N-(2,3-dihydro-6-methoxy-1,3-dimethyl-2-ox...)
Show SMILES COc1cc2n(C)c(=O)n(C)c2cc1NS(=O)(=O)c1ccc(Br)cc1C
Show InChI InChI=1S/C17H18BrN3O4S/c1-10-7-11(18)5-6-16(10)26(23,24)19-12-8-13-14(9-15(12)25-4)21(3)17(22)20(13)2/h5-9,19H,1-4H3
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n/an/a 128n/an/an/an/an/an/a



Bayer AG

Curated by ChEMBL


Assay Description
Alphascreen assay. Binding to BRD1A (domain start/stop: E556-A688) by alphascreen assay


J Med Chem 60: 4002-4022 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00306
BindingDB Entry DOI: 10.7270/Q2XG9TKS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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
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 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-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 1


(Homo sapiens (Human))
BDBM50157570
PNG
(4-cyano-N-(1,3-dimethyl-2-oxoquinolin-6-yl)-2-meth...)
Show SMILES COc1cc(ccc1S(=O)(=O)Nc1ccc2n(C)c(=O)c(C)cc2c1)C#N
Show InChI InChI=1S/C19H17N3O4S/c1-12-8-14-10-15(5-6-16(14)22(2)19(12)23)21-27(24,25)18-7-4-13(11-20)9-17(18)26-3/h4-10,21H,1-3H3
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n/an/a 315n/an/an/an/an/an/a



UCL School of Pharmacy, University College London , 29/39 Brunswick Square, London WC1N 1AX, U.K.

Curated by ChEMBL


Assay Description
Displacement of H3K14Ac from BAZ2B (unknown origin) preincubated for 30 mins with non-biotinylated peptide followed by addition of biotinylated pepti...


J Med Chem 60: 6998-7011 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00611
BindingDB Entry DOI: 10.7270/Q2P55QZP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 1


(Homo sapiens (Human))
BDBM50597849
PNG
(CHEMBL5205994)
Show SMILES COc1cc(OC)c2c(c1)nc([nH]c2=O)-c1ccc(OCCOc2ccccc2C(N)=O)cc1
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n/an/a 440n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114094
BindingDB Entry DOI: 10.7270/Q29P35PG
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 1


(Homo sapiens (Human))
BDBM50157570
PNG
(4-cyano-N-(1,3-dimethyl-2-oxoquinolin-6-yl)-2-meth...)
Show SMILES COc1cc(ccc1S(=O)(=O)Nc1ccc2n(C)c(=O)c(C)cc2c1)C#N
Show InChI InChI=1S/C19H17N3O4S/c1-12-8-14-10-15(5-6-16(14)22(2)19(12)23)21-27(24,25)18-7-4-13(11-20)9-17(18)26-3/h4-10,21H,1-3H3
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n/an/a 619n/an/an/an/a7.425



Oxford University



Assay Description
Assays were performed as described previously with minor modifications(Philpott et al., 2011). All reagents were diluted in 25 mM HEPES, 100 mM NaCl,...


ACS Chem Biol 12: 2619-2630 (2017)


Article DOI: 10.1021/acschembio.7b00481
BindingDB Entry DOI: 10.7270/Q2HM56MX
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 1


(Homo sapiens (Human))
BDBM342597
PNG
(N-[3-(3-methyl-4-oxo-4,5,6,7-tetrahydro-2H-isoindo...)
Show SMILES Cc1[nH]c(c2CCCC(=O)c12)-c1cc(NS(C)(=O)=O)ccc1Oc1ccccc1
Show InChI InChI=1S/C22H22N2O4S/c1-14-21-17(9-6-10-19(21)25)22(23-14)18-13-15(24-29(2,26)27)11-12-20(18)28-16-7-4-3-5-8-16/h3-5,7-8,11-13,23-24H,6,9-10H2,1-2H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



AbbVie Inc., Oncology Discovery, 1 North Waukegan Rd., North Chicago, IL 60064, USA.

Curated by ChEMBL


Assay Description
Inhibition of human BRD1 (E556 to A688 residues) expressed in bacterial expression system by BROMOscan assay


Bioorg Med Chem Lett 27: 2225-2233 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.057
BindingDB Entry DOI: 10.7270/Q20P12FJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 1


(Homo sapiens (Human))
BDBM50603594
PNG
(CHEMBL5205457)
Show SMILES CN1C=C(C2C=CNC2C1=O)c1ccc2ccn(Cc3ccccn3)c2c1 |c:2,5|
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TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114153
BindingDB Entry DOI: 10.7270/Q2ZC86Z5
More data for this
Ligand-Target Pair
Bromodomain-containing protein 1


(Homo sapiens (Human))
BDBM50158624
PNG
(CHEMBL3786012)
Show SMILES Cc1[nH]c(c2CCNC(=O)c12)-c1cc(ccc1Oc1ccc(F)cc1F)S(C)(=O)=O
Show InChI InChI=1S/C21H18F2N2O4S/c1-11-19-14(7-8-24-21(19)26)20(25-11)15-10-13(30(2,27)28)4-6-17(15)29-18-5-3-12(22)9-16(18)23/h3-6,9-10,25H,7-8H2,1-2H3,(H,24,26)
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AbbVie Inc., Oncology Discovery, 1 North Waukegan Rd., North Chicago, IL 60064, USA.

Curated by ChEMBL


Assay Description
Inhibition of human BRD1 (E556 to A688 residues) expressed in bacterial expression system by BROMOscan assay


Bioorg Med Chem Lett 27: 2225-2233 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.057
BindingDB Entry DOI: 10.7270/Q20P12FJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 1


(Homo sapiens (Human))
BDBM50148549
PNG
(4-Bromo-N-(2,3-dihydro-6-methoxy-1,3-dimethyl-2-ox...)
Show SMILES COc1cc2n(C)c(=O)n(C)c2cc1NS(=O)(=O)c1ccc(Br)cc1C
Show InChI InChI=1S/C17H18BrN3O4S/c1-10-7-11(18)5-6-16(10)26(23,24)19-12-8-13-14(9-15(12)25-4)21(3)17(22)20(13)2/h5-9,19H,1-4H3
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n/an/a 1.20E+3n/an/an/an/a7.425



Oxford University



Assay Description
Assays were performed as described previously with minor modifications(Philpott et al., 2011). All reagents were diluted in 25 mM HEPES, 100 mM NaCl,...


ACS Chem Biol 12: 2619-2630 (2017)


Article DOI: 10.1021/acschembio.7b00481
BindingDB Entry DOI: 10.7270/Q2HM56MX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 1


(Homo sapiens (Human))
BDBM50148549
PNG
(4-Bromo-N-(2,3-dihydro-6-methoxy-1,3-dimethyl-2-ox...)
Show SMILES COc1cc2n(C)c(=O)n(C)c2cc1NS(=O)(=O)c1ccc(Br)cc1C
Show InChI InChI=1S/C17H18BrN3O4S/c1-10-7-11(18)5-6-16(10)26(23,24)19-12-8-13-14(9-15(12)25-4)21(3)17(22)20(13)2/h5-9,19H,1-4H3
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n/an/a 1.20E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of BRPF2 BRD1 (unknown origin) by Alpha Screen assay


J Med Chem 59: 1642-7 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00458
BindingDB Entry DOI: 10.7270/Q2JS9S9G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 1


(Homo sapiens (Human))
BDBM50148468
PNG
(CHEMBL3769887)
Show SMILES COc1ccc(cc1OC)S(=O)(=O)Nc1cc2n(C)c(=O)n(C)c2cc1Oc1ccccc1
Show InChI InChI=1S/C23H23N3O6S/c1-25-18-13-17(24-33(28,29)16-10-11-20(30-3)22(12-16)31-4)21(14-19(18)26(2)23(25)27)32-15-8-6-5-7-9-15/h5-14,24H,1-4H3
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n/an/a 1.21E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of BRPF2 BRD1 (unknown origin) by Alpha Screen assay


J Med Chem 59: 1642-7 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00458
BindingDB Entry DOI: 10.7270/Q2JS9S9G
More data for this
Ligand-Target Pair
Bromodomain-containing protein 1


(Homo sapiens (Human))
BDBM50148470
PNG
(CHEMBL3771002)
Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1cc2n(C)c(=O)n(C)c2cc1Oc1ccccc1
Show InChI InChI=1S/C22H21N3O5S/c1-24-19-13-18(23-31(27,28)17-11-9-15(29-3)10-12-17)21(14-20(19)25(2)22(24)26)30-16-7-5-4-6-8-16/h4-14,23H,1-3H3
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n/an/a 1.33E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of BRPF2 BRD1 (unknown origin) by Alpha Screen assay


J Med Chem 59: 1642-7 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00458
BindingDB Entry DOI: 10.7270/Q2JS9S9G
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 1


(Homo sapiens (Human))
BDBM50148463
PNG
(CHEMBL3770971)
Show SMILES Cn1c2ccc(NS(=O)(=O)c3ccc4OCCCc4c3)cc2n(C)c1=O
Show InChI InChI=1S/C18H19N3O4S/c1-20-15-7-5-13(11-16(15)21(2)18(20)22)19-26(23,24)14-6-8-17-12(10-14)4-3-9-25-17/h5-8,10-11,19H,3-4,9H2,1-2H3
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n/an/a 1.60E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of BRPF2 BRD1 (unknown origin) by Alpha Screen assay


J Med Chem 59: 1642-7 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00458
BindingDB Entry DOI: 10.7270/Q2JS9S9G
More data for this
Ligand-Target Pair
Bromodomain-containing protein 1


(Homo sapiens (Human))
BDBM50148549
PNG
(4-Bromo-N-(2,3-dihydro-6-methoxy-1,3-dimethyl-2-ox...)
Show SMILES COc1cc2n(C)c(=O)n(C)c2cc1NS(=O)(=O)c1ccc(Br)cc1C
Show InChI InChI=1S/C17H18BrN3O4S/c1-10-7-11(18)5-6-16(10)26(23,24)19-12-8-13-14(9-15(12)25-4)21(3)17(22)20(13)2/h5-9,19H,1-4H3
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n/an/a 1.68E+3n/an/an/an/an/an/a



Bayer AG

Curated by ChEMBL


Assay Description
Alphascreen assay. Binding to BRD1A (domain start/stop: E556-A688) by alphascreen assay


J Med Chem 60: 4002-4022 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00306
BindingDB Entry DOI: 10.7270/Q2XG9TKS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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))
BDBM50148475
PNG
(CHEMBL3770465)
Show SMILES Cc1ccccc1S(=O)(=O)Nc1cc2n(C)c(=O)n(C)c2cc1Oc1ccccc1
Show InChI InChI=1S/C22H21N3O4S/c1-15-9-7-8-12-21(15)30(27,28)23-17-13-18-19(25(3)22(26)24(18)2)14-20(17)29-16-10-5-4-6-11-16/h4-14,23H,1-3H3
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n/an/a 1.70E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of BRPF2 BRD1 (unknown origin) by Alpha Screen assay


J Med Chem 59: 1642-7 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00458
BindingDB Entry DOI: 10.7270/Q2JS9S9G
More data for this
Ligand-Target Pair
Bromodomain-containing protein 1


(Homo sapiens (Human))
BDBM50148465
PNG
(CHEMBL3771151)
Show SMILES Cn1c2ccc(NS(=O)(=O)c3ccc4CCCc4c3)cc2n(C)c1=O
Show InChI InChI=1S/C18H19N3O3S/c1-20-16-9-7-14(11-17(16)21(2)18(20)22)19-25(23,24)15-8-6-12-4-3-5-13(12)10-15/h6-11,19H,3-5H2,1-2H3
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n/an/a 1.71E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of BRPF2 BRD1 (unknown origin) by Alpha Screen assay


J Med Chem 59: 1642-7 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00458
BindingDB Entry DOI: 10.7270/Q2JS9S9G
More data for this
Ligand-Target Pair
Bromodomain-containing protein 1


(Homo sapiens (Human))
BDBM50148478
PNG
(CHEMBL3769965 | US10702504, Compound A)
Show SMILES COc1ccc(Oc2cc3n(C)c(=O)n(C)c3cc2NS(=O)(=O)c2ccc(OC)c(OC)c2)cc1
Show InChI InChI=1S/C24H25N3O7S/c1-26-19-13-18(25-35(29,30)17-10-11-21(32-4)23(12-17)33-5)22(14-20(19)27(2)24(26)28)34-16-8-6-15(31-3)7-9-16/h6-14,25H,1-5H3
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n/an/a 1.75E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of BRPF2 BRD1 (unknown origin) by Alpha Screen assay


J Med Chem 59: 1642-7 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00458
BindingDB Entry DOI: 10.7270/Q2JS9S9G
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-containing protein 1


(Homo sapiens (Human))
BDBM50148476
PNG
(CHEMBL3770391)
Show SMILES COc1cccc(c1)S(=O)(=O)Nc1cc2n(C)c(=O)n(C)c2cc1Oc1ccccc1
Show InChI InChI=1S/C22H21N3O5S/c1-24-19-13-18(23-31(27,28)17-11-7-10-16(12-17)29-3)21(14-20(19)25(2)22(24)26)30-15-8-5-4-6-9-15/h4-14,23H,1-3H3
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n/an/a 1.99E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of BRPF2 BRD1 (unknown origin) by Alpha Screen assay


J Med Chem 59: 1642-7 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00458
BindingDB Entry DOI: 10.7270/Q2JS9S9G
More data for this
Ligand-Target Pair
Bromodomain-containing protein 1


(Homo sapiens (Human))
BDBM50148460
PNG
(CHEMBL1346130)
Show SMILES Cn1c2ccc(NS(=O)(=O)c3ccc4CCCCc4c3)cc2n(C)c1=O
Show InChI InChI=1S/C19H21N3O3S/c1-21-17-10-8-15(12-18(17)22(2)19(21)23)20-26(24,25)16-9-7-13-5-3-4-6-14(13)11-16/h7-12,20H,3-6H2,1-2H3
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n/an/a 2.05E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of BRPF2 BRD1 (unknown origin) by Alpha Screen assay


J Med Chem 59: 1642-7 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00458
BindingDB Entry DOI: 10.7270/Q2JS9S9G
More data for this
Ligand-Target Pair
Bromodomain-containing protein 1


(Homo sapiens (Human))
BDBM50148481
PNG
(CHEMBL3771005)
Show SMILES COc1ccc(Oc2cc3n(C)c(=O)n(C)c3cc2NS(=O)(=O)c2ccccc2C)cc1
Show InChI InChI=1S/C23H23N3O5S/c1-15-7-5-6-8-22(15)32(28,29)24-18-13-19-20(26(3)23(27)25(19)2)14-21(18)31-17-11-9-16(30-4)10-12-17/h5-14,24H,1-4H3
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n/an/a 2.38E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of BRPF2 BRD1 (unknown origin) by Alpha Screen assay


J Med Chem 59: 1642-7 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00458
BindingDB Entry DOI: 10.7270/Q2JS9S9G
More data for this
Ligand-Target Pair
Bromodomain-containing protein 1


(Homo sapiens (Human))
BDBM50148471
PNG
(CHEMBL3771154)
Show SMILES Cc1cc(Cl)ccc1S(=O)(=O)Nc1cc2n(C)c(=O)n(C)c2cc1Oc1ccccc1
Show InChI InChI=1S/C22H20ClN3O4S/c1-14-11-15(23)9-10-21(14)31(28,29)24-17-12-18-19(26(3)22(27)25(18)2)13-20(17)30-16-7-5-4-6-8-16/h4-13,24H,1-3H3
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n/an/a 2.39E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of BRPF2 BRD1 (unknown origin) by Alpha Screen assay


J Med Chem 59: 1642-7 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00458
BindingDB Entry DOI: 10.7270/Q2JS9S9G
More data for this
Ligand-Target Pair
Bromodomain-containing protein 1


(Homo sapiens (Human))
BDBM50148473
PNG
(CHEMBL3770048)
Show SMILES Cc1ccc(F)cc1S(=O)(=O)Nc1cc2n(C)c(=O)n(C)c2cc1Oc1ccccc1
Show InChI InChI=1S/C22H20FN3O4S/c1-14-9-10-15(23)11-21(14)31(28,29)24-17-12-18-19(26(3)22(27)25(18)2)13-20(17)30-16-7-5-4-6-8-16/h4-13,24H,1-3H3
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n/an/a 2.42E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of BRPF2 BRD1 (unknown origin) by Alpha Screen assay


J Med Chem 59: 1642-7 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00458
BindingDB Entry DOI: 10.7270/Q2JS9S9G
More data for this
Ligand-Target Pair
Bromodomain-containing protein 1


(Homo sapiens (Human))
BDBM50148464
PNG
(CHEMBL3771106)
Show SMILES Cn1c2ccc(NS(=O)(=O)c3ccc4OC(C)(C)CCc4c3)cc2n(C)c1=O
Show InChI InChI=1S/C20H23N3O4S/c1-20(2)10-9-13-11-15(6-8-18(13)27-20)28(25,26)21-14-5-7-16-17(12-14)23(4)19(24)22(16)3/h5-8,11-12,21H,9-10H2,1-4H3
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n/an/a 2.46E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of BRPF2 BRD1 (unknown origin) by Alpha Screen assay


J Med Chem 59: 1642-7 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00458
BindingDB Entry DOI: 10.7270/Q2JS9S9G
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 1


(Homo sapiens (Human))
BDBM50148477
PNG
(CHEMBL3771230)
Show SMILES Cn1c2cc(NS(=O)(=O)c3ccc4CCCCc4c3)c(Oc3ccccc3)cc2n(C)c1=O
Show InChI InChI=1S/C25H25N3O4S/c1-27-22-15-21(26-33(30,31)20-13-12-17-8-6-7-9-18(17)14-20)24(16-23(22)28(2)25(27)29)32-19-10-4-3-5-11-19/h3-5,10-16,26H,6-9H2,1-2H3
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n/an/a 2.67E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of BRPF2 BRD1 (unknown origin) by Alpha Screen assay


J Med Chem 59: 1642-7 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00458
BindingDB Entry DOI: 10.7270/Q2JS9S9G
More data for this
Ligand-Target Pair
Bromodomain-containing protein 1


(Homo sapiens (Human))
BDBM50148479
PNG
(CHEMBL3770259)
Show SMILES COc1ccc(Oc2cc3n(C)c(=O)n(C)c3cc2NS(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C22H21N3O5S/c1-24-19-13-18(23-31(27,28)17-7-5-4-6-8-17)21(14-20(19)25(2)22(24)26)30-16-11-9-15(29-3)10-12-16/h4-14,23H,1-3H3
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n/an/a 2.77E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of BRPF2 BRD1 (unknown origin) by Alpha Screen assay


J Med Chem 59: 1642-7 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00458
BindingDB Entry DOI: 10.7270/Q2JS9S9G
More data for this
Ligand-Target Pair
Bromodomain-containing protein 1


(Homo sapiens (Human))
BDBM50148474
PNG
(CHEMBL3771226)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1cc2n(C)c(=O)n(C)c2cc1Oc1ccccc1
Show InChI InChI=1S/C22H21N3O4S/c1-15-9-11-17(12-10-15)30(27,28)23-18-13-19-20(25(3)22(26)24(19)2)14-21(18)29-16-7-5-4-6-8-16/h4-14,23H,1-3H3
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n/an/a 2.92E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of BRPF2 BRD1 (unknown origin) by Alpha Screen assay


J Med Chem 59: 1642-7 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00458
BindingDB Entry DOI: 10.7270/Q2JS9S9G
More data for this
Ligand-Target Pair
Bromodomain-containing protein 1


(Homo sapiens (Human))
BDBM50148467
PNG
(CHEMBL3770004)
Show SMILES Cn1c2cc(NS(=O)(=O)c3ccc(Cl)cc3)c(Oc3ccccc3)cc2n(C)c1=O
Show InChI InChI=1S/C21H18ClN3O4S/c1-24-18-12-17(23-30(27,28)16-10-8-14(22)9-11-16)20(13-19(18)25(2)21(24)26)29-15-6-4-3-5-7-15/h3-13,23H,1-2H3
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n/an/a 3.47E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of BRPF2 BRD1 (unknown origin) by Alpha Screen assay


J Med Chem 59: 1642-7 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00458
BindingDB Entry DOI: 10.7270/Q2JS9S9G
More data for this
Ligand-Target Pair
Bromodomain-containing protein 1


(Homo sapiens (Human))
BDBM50032927
PNG
(CHEMBL3356143 | N-[2,3-Dihydro-1,3-dimethyl-2-oxo-...)
Show SMILES COc1ccccc1C(=O)Nc1cc2n(C)c(=O)n(C)c2cc1N1CCCC1
Show InChI InChI=1S/C21H24N4O3/c1-23-17-12-15(22-20(26)14-8-4-5-9-19(14)28-3)16(25-10-6-7-11-25)13-18(17)24(2)21(23)27/h4-5,8-9,12-13H,6-7,10-11H2,1-3H3,(H,22,26)
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n/an/a 3.52E+3n/an/an/an/a7.425



Oxford University



Assay Description
Assays were performed as described previously with minor modifications(Philpott et al., 2011). All reagents were diluted in 25 mM HEPES, 100 mM NaCl,...


ACS Chem Biol 12: 2619-2630 (2017)


Article DOI: 10.1021/acschembio.7b00481
BindingDB Entry DOI: 10.7270/Q2HM56MX
More data for this
Ligand-Target Pair
Bromodomain-containing protein 1


(Homo sapiens (Human))
BDBM50148480
PNG
(CHEMBL3770456)
Show SMILES COc1ccc(Oc2cc3n(C)c(=O)n(C)c3cc2NS(=O)(=O)c2ccc(OC)cc2)cc1
Show InChI InChI=1S/C23H23N3O6S/c1-25-20-13-19(24-33(28,29)18-11-9-16(31-4)10-12-18)22(14-21(20)26(2)23(25)27)32-17-7-5-15(30-3)6-8-17/h5-14,24H,1-4H3
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n/an/a 3.58E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of BRPF2 BRD1 (unknown origin) by Alpha Screen assay


J Med Chem 59: 1642-7 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00458
BindingDB Entry DOI: 10.7270/Q2JS9S9G
More data for this
Ligand-Target Pair
Bromodomain-containing protein 1


(Homo sapiens (Human))
BDBM50148472
PNG
(CHEMBL3770861)
Show SMILES Cc1ccc(cc1F)S(=O)(=O)Nc1cc2n(C)c(=O)n(C)c2cc1Oc1ccccc1
Show InChI InChI=1S/C22H20FN3O4S/c1-14-9-10-16(11-17(14)23)31(28,29)24-18-12-19-20(26(3)22(27)25(19)2)13-21(18)30-15-7-5-4-6-8-15/h4-13,24H,1-3H3
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n/an/a 3.69E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of BRPF2 BRD1 (unknown origin) by Alpha Screen assay


J Med Chem 59: 1642-7 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00458
BindingDB Entry DOI: 10.7270/Q2JS9S9G
More data for this
Ligand-Target Pair
Bromodomain-containing protein 1


(Homo sapiens (Human))
BDBM50148462
PNG
(CHEMBL3770886)
Show SMILES CC(C)c1ccc(cc1)S(=O)(=O)Nc1ccc2n(C)c(=O)n(C)c2c1
Show InChI InChI=1S/C18H21N3O3S/c1-12(2)13-5-8-15(9-6-13)25(23,24)19-14-7-10-16-17(11-14)21(4)18(22)20(16)3/h5-12,19H,1-4H3
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n/an/a 4.30E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of BRPF2 BRD1 (unknown origin) by Alpha Screen assay


J Med Chem 59: 1642-7 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00458
BindingDB Entry DOI: 10.7270/Q2JS9S9G
More data for this
Ligand-Target Pair
Bromodomain-containing protein 1


(Homo sapiens (Human))
BDBM50148469
PNG
(CHEMBL3770810)
Show SMILES Cc1ccc(cc1C)S(=O)(=O)Nc1cc2n(C)c(=O)n(C)c2cc1Oc1ccccc1
Show InChI InChI=1S/C23H23N3O4S/c1-15-10-11-18(12-16(15)2)31(28,29)24-19-13-20-21(26(4)23(27)25(20)3)14-22(19)30-17-8-6-5-7-9-17/h5-14,24H,1-4H3
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n/an/a 5.16E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of BRPF2 BRD1 (unknown origin) by Alpha Screen assay


J Med Chem 59: 1642-7 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00458
BindingDB Entry DOI: 10.7270/Q2JS9S9G
More data for this
Ligand-Target Pair
Bromodomain-containing protein 1


(Homo sapiens (Human))
BDBM50148461
PNG
(CHEMBL3770652)
Show SMILES Cc1ccc(cc1F)S(=O)(=O)Nc1ccc2n(C)c(=O)n(C)c2c1
Show InChI InChI=1S/C16H16FN3O3S/c1-10-4-6-12(9-13(10)17)24(22,23)18-11-5-7-14-15(8-11)20(3)16(21)19(14)2/h4-9,18H,1-3H3
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n/an/a 6.14E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of BRPF2 BRD1 (unknown origin) by Alpha Screen assay


J Med Chem 59: 1642-7 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00458
BindingDB Entry DOI: 10.7270/Q2JS9S9G
More data for this
Ligand-Target Pair
Bromodomain-containing protein 1


(Homo sapiens (Human))
BDBM50189403
PNG
(CHEMBL3828191)
Show SMILES COc1ccccc1C(=O)Nc1cc2n(C)c(=O)n(C)c2cc1N1CCNC[C@H]1C |r|
Show InChI InChI=1S/C22H27N5O3/c1-14-13-23-9-10-27(14)17-12-19-18(25(2)22(29)26(19)3)11-16(17)24-21(28)15-7-5-6-8-20(15)30-4/h5-8,11-12,14,23H,9-10,13H2,1-4H3,(H,24,28)/t14-/m1/s1
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n/an/a 7.94E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of synthetic fluorescent ligand binding to recombinant truncated 6HisFlag-Tev-BRPF2 (551 to 673 residues) (unknown origin) expressed in Es...


ACS Med Chem Lett 7: 552-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00092
BindingDB Entry DOI: 10.7270/Q2S184G2
More data for this
Ligand-Target Pair
Bromodomain-containing protein 1


(Homo sapiens (Human))
BDBM50032912
PNG
(CHEMBL1522313)
Show SMILES COc1ccccc1C(=O)Nc1cc2n(C)c(=O)n(C)c2cc1N1CCCCC1
Show InChI InChI=1S/C22H26N4O3/c1-24-18-13-16(23-21(27)15-9-5-6-10-20(15)29-3)17(26-11-7-4-8-12-26)14-19(18)25(2)22(24)28/h5-6,9-10,13-14H,4,7-8,11-12H2,1-3H3,(H,23,27)
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n/an/a 7.94E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to 6H-Flag-tagged Tev-BRPF2 (551-673 aa) (unknown origin) by TR-FRET competitive assay


ACS Med Chem Lett 5: 1190-5 (2014)


Article DOI: 10.1021/ml5002932
BindingDB Entry DOI: 10.7270/Q2445P29
More data for this
Ligand-Target Pair
Bromodomain-containing protein 1


(Homo sapiens (Human))
BDBM50148466
PNG
(CHEMBL3771239)
Show SMILES CO[C@@]1(C)Oc2ccc(cc2OC1(C)OC)S(=O)(=O)Nc1ccc2n(C)c(=O)n(C)c2c1 |r|
Show InChI InChI=1S/C21H25N3O7S/c1-20(28-5)21(2,29-6)31-18-12-14(8-10-17(18)30-20)32(26,27)22-13-7-9-15-16(11-13)24(4)19(25)23(15)3/h7-12,22H,1-6H3/t20-,21?/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of BRPF2 BRD1 (unknown origin) by Alpha Screen assay


J Med Chem 59: 1642-7 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00458
BindingDB Entry DOI: 10.7270/Q2JS9S9G
More data for this
Ligand-Target Pair
Bromodomain-containing protein 1


(Homo sapiens (Human))
BDBM50148482
PNG
(CHEMBL3769732)
Show SMILES CCCOc1ccc(cc1)S(=O)(=O)Nc1cc2n(C)c(=O)n(C)c2cc1Oc1ccc(OC)cc1
Show InChI InChI=1S/C25H27N3O6S/c1-5-14-33-18-10-12-20(13-11-18)35(30,31)26-21-15-22-23(28(3)25(29)27(22)2)16-24(21)34-19-8-6-17(32-4)7-9-19/h6-13,15-16,26H,5,14H2,1-4H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of BRPF2 BRD1 (unknown origin) by Alpha Screen assay


J Med Chem 59: 1642-7 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00458
BindingDB Entry DOI: 10.7270/Q2JS9S9G
More data for this
Ligand-Target Pair
Bromodomain-containing protein 1


(Homo sapiens (Human))
BDBM50148548
PNG
(CHEMBL3770384)
Show SMILES COc1ccc(Oc2cc3n(C)c(=O)n(C)c3cc2NS(=O)(=O)c2ccc(C)cc2)cc1
Show InChI InChI=1S/C23H23N3O5S/c1-15-5-11-18(12-6-15)32(28,29)24-19-13-20-21(26(3)23(27)25(20)2)14-22(19)31-17-9-7-16(30-4)8-10-17/h5-14,24H,1-4H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of BRPF2 BRD1 (unknown origin) by Alpha Screen assay


J Med Chem 59: 1642-7 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00458
BindingDB Entry DOI: 10.7270/Q2JS9S9G
More data for this
Ligand-Target Pair
Bromodomain-containing protein 1


(Homo sapiens (Human))
BDBM50504159
PNG
(CHEMBL4583297)
Show SMILES CC1(NC(=O)N(CC(=O)Nc2ccc(Br)c(c2)S(=O)(=O)N2CCCCC2)C1=O)C1CC1
Show InChI InChI=1S/C20H25BrN4O5S/c1-20(13-5-6-13)18(27)25(19(28)23-20)12-17(26)22-14-7-8-15(21)16(11-14)31(29,30)24-9-3-2-4-10-24/h7-8,11,13H,2-6,9-10,12H2,1H3,(H,22,26)(H,23,28)
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n/an/a 1.26E+4n/an/an/an/an/an/a



Cellzome

Curated by ChEMBL


Assay Description
Inhibition of BRPF2 (unknown origin) by TR-FRET assay


J Med Chem 62: 7506-7525 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00673
BindingDB Entry DOI: 10.7270/Q22R3VZV
More data for this
Ligand-Target Pair
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