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Compile Data Set for Download or QSAR

Found 37 hits Enz. Inhib. hit(s) with Target = 'Bromodomain-containing protein 1'   
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 1


(Homo sapiens)
BDBM50150818
PNG
(CHEMBL3774575)
Show SMILES CCCOc1cc(OCCCCN(C)C)cc(Oc2cc3n(C)c(=O)n(C)c3cc2NS(=O)(=O)c2ccc(OC)c(OC)c2)c1
Show InChI InChI=1S/C32H42N4O8S/c1-8-14-42-22-16-23(43-15-10-9-13-34(2)3)18-24(17-22)44-30-21-28-27(35(4)32(37)36(28)5)20-26(30)33-45(38,39)25-11-12-29(40-6)31(19-25)41-7/h11-12,16-21,33H,8-10,13-15H2,1-7H3
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n/an/an/a 12n/an/an/an/an/a



The University of Texas MD Anderson Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of KDM3A (unknown origin) using biotin-H3K9me2 (1 to 21 residues) as substrate preincubated for 15 mins followed by substrate addition mea...


J Med Chem 59: 1440-54 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00405
BindingDB Entry DOI: 10.7270/Q26975F4
More data for this
Ligand-Target Pair
Bromodomain-containing protein 1


(Homo sapiens)
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/an/a 110n/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to BRPF2 (unknown origin) by isothermal titration calorimetric analysis


J Med Chem 59: 1271-98 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01514
BindingDB Entry DOI: 10.7270/Q2X92D6H
More data for this
Ligand-Target Pair
Bromodomain-containing protein 1


(Homo sapiens)
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/an/a 500n/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to BRPF2 (unknown origin) by isothermal titration calorimetric analysis


J Med Chem 59: 1271-98 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01514
BindingDB Entry DOI: 10.7270/Q2X92D6H
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 1


(Homo sapiens)
BDBM50148478
PNG
(CHEMBL3769965)
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/an/a 1.13E+3n/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Binding affinity to BRPF2 BRD1 (unknown origin) by isothermal titration calorimetry


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)
BDBM50098311
PNG
(CHEMBL3590408)
Show SMILES CN1CC[C@@H](Nc2ncc(-c3cncc(C)c3)c3cc(C)c(=O)[nH]c23)[C@@H](C1)OCC1CCS(=O)(=O)CC1
Show InChI InChI=1S/C27H35N5O4S/c1-17-10-20(13-28-12-17)22-14-29-26(25-21(22)11-18(2)27(33)31-25)30-23-4-7-32(3)15-24(23)36-16-19-5-8-37(34,35)9-6-19/h10-14,19,23-24H,4-9,15-16H2,1-3H3,(H,29,30)(H,31,33)/t23-,24-/m1/s1
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398n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to BRPF2 (unknown origin) by BROMOscan panel based assay


J Med Chem 58: 6151-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00773
BindingDB Entry DOI: 10.7270/Q2FN17Z1
More data for this
Ligand-Target Pair
Bromodomain-containing protein 1


(Homo sapiens)
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)
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)
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)
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)
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)
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)
BDBM50148466
PNG
(CHEMBL3771239)
Show SMILES CO[C@@]1(C)Oc2ccc(cc2OC1(C)OC)S(=O)(=O)Nc1ccc2n(C)c(=O)n(C)c2c1
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)
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)
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)
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)
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)
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)
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)
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)
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)
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)
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)
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)
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)
BDBM50148478
PNG
(CHEMBL3769965)
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)
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)
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)
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)
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)
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)
BDBM50189403
PNG
(CHEMBL3828191)
Show SMILES COc1ccccc1C(=O)Nc1cc2n(C)c(=O)n(C)c2cc1N1CCNC[C@H]1C
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)
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)
BDBM50028142
PNG
(CHEMBL2177300)
Show SMILES C[C@H]1C[C@@H](Nc2ccc(Cl)cc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C25H23ClN2O3/c1-15-13-23(27-21-10-8-20(26)9-11-21)22-14-19(7-12-24(22)28(15)16(2)29)17-3-5-18(6-4-17)25(30)31/h3-12,14-15,23,27H,13H2,1-2H3,(H,30,31)/t15-,23+/m0/s1
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n/an/a<2.00E+4n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human BRD1 by BROMOscan assay


J Med Chem 57: 8111-31 (2014)


Article DOI: 10.1021/jm5010539
BindingDB Entry DOI: 10.7270/Q23R0VGR
More data for this
Ligand-Target Pair
Bromodomain-containing protein 1


(Homo sapiens)
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/an/an/a



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)
BDBM50189407
PNG
(CHEMBL3827932)
Show SMILES CCN(C(=O)c1ccccc1OC)c1cc2n(C)c(=O)n(C)c2cc1N1CCNC[C@H]1C
Show InChI InChI=1S/C24H31N5O3/c1-6-28(23(30)17-9-7-8-10-22(17)32-5)20-13-18-19(27(4)24(31)26(18)3)14-21(20)29-12-11-25-15-16(29)2/h7-10,13-14,16,25H,6,11-12,15H2,1-5H3/t16-/m1/s1
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n/an/a 5.01E+4n/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)
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/an/an/a



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)
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



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)