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Compile Data Set for Download or QSAR

Found 34 hits Enz. Inhib. hit(s) with Target = 'Bromodomain-containing protein 1'   
Target
(Institution)
LigandTarget
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)
BDBM50148549
PNG
(CHEMBL3770173)
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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

More data for this
Ligand-Target Pair
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)

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)

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)

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)

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)

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)

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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PubMed
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)

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=1/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-/s2
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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)

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)

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=1/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?/s2
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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)

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)

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=1/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+/s2
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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)

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=1/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-/s2
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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)

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=1/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-/s2
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398n/an/an/an/an/an/an/an/a



¿Cellzome GmbH, Molecular Discovery Research, GlaxoSmithKline, Meyerhofstrasse 1, 69117 Heidelberg, Germany.

Curated by ChEMBL


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


J Med Chem 58: 6151-78 (2015)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 1


(Homo sapiens)
BDBM50157570
PNG
(CHEMBL3752151)
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)

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/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)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 1


(Homo sapiens)
BDBM50148549
PNG
(CHEMBL3770173)
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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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)

More data for this
Ligand-Target Pair