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Found 409 hits Enz. Inhib. hit(s) with Target = 'Bromodomain-containing protein 2'   
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 2


(Homo sapiens (Human))
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 3.20n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human BRD2 bromodomain 2 by BROMOscan assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 2 (BRD2)


(Homo sapiens (Human))
BDBM237471
PNG
(US9393232, 2.46)
Show SMILES Cc1noc(C)c1-c1ccc2NC(=O)C(N3CCC[C@H](N)C3)(c2c1)c1ccccc1
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US Patent
n/an/a 6.60n/an/an/an/an/an/a



BeiGene, Ltd.

US Patent


Assay Description
The assay was carried out in binding mixtures of the bromodomain protein, 0-10 μM compounds and tetra-acetylated histone peptide (SGRGAC.KGGAC.K...


US Patent US9393232 (2016)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 2 (BRD2)


(Homo sapiens (Human))
BDBM237443
PNG
(US9393232, 2.16)
Show SMILES Cc1noc(C)c1-c1ccc2NC(=O)C(N3CCC[C@H](O)C3)(c2c1)c1ccccc1
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n/an/a 9.60n/an/an/an/an/an/a



BeiGene, Ltd.

US Patent


Assay Description
The assay was carried out in binding mixtures of the bromodomain protein, 0-10 μM compounds and tetra-acetylated histone peptide (SGRGAC.KGGAC.K...


US Patent US9393232 (2016)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM150062
PNG
(US8975417, 122)
Show SMILES Cc1nn(C2CC2)c2C(=O)N([C@@H](c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2n1
Show InChI InChI=1/C22H20ClN7O/c1-11-10-17(27-29-13(3)24-25-21(11)29)28-19(14-4-6-15(23)7-5-14)18-12(2)26-30(16-8-9-16)20(18)22(28)31/h4-7,10,16,19H,8-9H2,1-3H3/t19-/s2
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n/an/a 12n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...


US Patent US8975417 (2015)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM150044
PNG
(US8975417, 104)
Show SMILES CC(C)n1nc(C)c2[C@H](N(C(=O)c12)c1cc(C)c(=O)n(C)c1)c1ccc(Cl)cc1
Show InChI InChI=1/C22H23ClN4O2/c1-12(2)27-20-18(14(4)24-27)19(15-6-8-16(23)9-7-15)26(22(20)29)17-10-13(3)21(28)25(5)11-17/h6-12,19H,1-5H3/t19-/s2
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n/an/a 14n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...


US Patent US8975417 (2015)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM150047
PNG
(US8975417, 107)
Show SMILES CCc1nn(C2CC2)c2C(=O)N([C@@H](c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1
Show InChI InChI=1/C24H23ClN6O/c1-4-19-20-21(15-5-7-16(25)8-6-15)30(24(32)22(20)31(28-19)17-9-10-17)18-11-13(2)23-27-26-14(3)29(23)12-18/h5-8,11-12,17,21H,4,9-10H2,1-3H3/t21-/s2
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n/an/a 14n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...


US Patent US8975417 (2015)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM149993
PNG
(US8975417, 49)
Show SMILES Cc1nn(C2CC2)c2C(=O)N([C@@H](c12)c1ccc(Cl)cc1)c1cc(C)c(=O)n(C)c1
Show InChI InChI=1/C22H21ClN4O2/c1-12-10-17(11-25(3)21(12)28)26-19(14-4-6-15(23)7-5-14)18-13(2)24-27(16-8-9-16)20(18)22(26)29/h4-7,10-11,16,19H,8-9H2,1-3H3/t19-/s2
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n/an/a 15n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...


US Patent US8975417 (2015)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM150133
PNG
(US8975417, 166)
Show SMILES Cc1nnc2c(C)cc(cn12)N1[C@@H](c2c(CO)nn(C3CC3)c2C1=O)c1ccc(Cl)cc1
Show InChI InChI=1/C23H21ClN6O2/c1-12-9-17(10-28-13(2)25-26-22(12)28)29-20(14-3-5-15(24)6-4-14)19-18(11-31)27-30(16-7-8-16)21(19)23(29)32/h3-6,9-10,16,20,31H,7-8,11H2,1-2H3/t20-/s2
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n/an/a 16n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...


US Patent US8975417 (2015)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM150102
PNG
(US8975417, 170)
Show SMILES CCn1nc(C)c2C(N(C(=O)c12)c1cc(C)c(=O)n(C)c1)c1ccc(Cl)cc1F
Show InChI InChI=1/C21H20ClFN4O2/c1-5-26-19-17(12(3)24-26)18(15-7-6-13(22)9-16(15)23)27(21(19)29)14-8-11(2)20(28)25(4)10-14/h6-10,18H,5H2,1-4H3
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n/an/a 16n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...


US Patent US8975417 (2015)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM149995
PNG
(US8975417, 51)
Show SMILES Cc1nn(C2CC2)c2C(=O)N([C@@H](c12)c1ccc(Cl)cc1)c1cc(Cl)c(=O)n(C)c1
Show InChI InChI=1/C21H18Cl2N4O2/c1-11-17-18(12-3-5-13(22)6-4-12)26(15-9-16(23)20(28)25(2)10-15)21(29)19(17)27(24-11)14-7-8-14/h3-6,9-10,14,18H,7-8H2,1-2H3/t18-/s2
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n/an/a 17n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...


US Patent US8975417 (2015)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM150132
PNG
(US8975417, 165)
Show SMILES Cc1n[nH]c2C(=O)N([C@@H](c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1
Show InChI InChI=1/C20H17ClN6O/c1-10-8-15(9-26-12(3)23-25-19(10)26)27-18(13-4-6-14(21)7-5-13)16-11(2)22-24-17(16)20(27)28/h4-9,18H,1-3H3,(H,22,24)/t18-/s2
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n/an/a 17n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...


US Patent US8975417 (2015)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 2 (BRD2)


(Homo sapiens (Human))
BDBM237494
PNG
(US9393232, 4.1 | US9393232, 4.1a | US9393232, 4.1b)
Show SMILES Cc1noc(C)c1-c1ccc2NC(=O)C(O)(c3ccsc3)c2c1
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n/an/a 18n/an/an/an/an/an/a



BeiGene, Ltd.

US Patent


Assay Description
The assay was carried out in binding mixtures of the bromodomain protein, 0-10 μM compounds and tetra-acetylated histone peptide (SGRGAC.KGGAC.K...


US Patent US9393232 (2016)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM150050
PNG
(US8975417, 110)
Show SMILES Cc1nn(C2CC2)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnn(C)c2n1
Show InChI InChI=1/C22H20ClN7O/c1-11-10-16(24-21-18(11)25-27-28(21)3)29-19(13-4-6-14(23)7-5-13)17-12(2)26-30(15-8-9-15)20(17)22(29)31/h4-7,10,15,19H,8-9H2,1-3H3
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n/an/a 18n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...


US Patent US8975417 (2015)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM150059
PNG
(US8975417, 119)
Show SMILES Cc1nn(C2CC2)c2C(=O)N([C@@H](c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1
Show InChI InChI=1/C23H21ClN6O/c1-12-10-18(11-28-14(3)25-26-22(12)28)29-20(15-4-6-16(24)7-5-15)19-13(2)27-30(17-8-9-17)21(19)23(29)31/h4-7,10-11,17,20H,8-9H2,1-3H3/t20-/s2
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n/an/a 19n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...


US Patent US8975417 (2015)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM150131
PNG
(US8975417, 164)
Show SMILES Cc1nnc2c(C)cc(cn12)N1[C@@H](c2c(nn(C)c2C1=O)C1CC1)c1ccc(Cl)cc1
Show InChI InChI=1/C23H21ClN6O/c1-12-10-17(11-29-13(2)25-26-22(12)29)30-20(15-6-8-16(24)9-7-15)18-19(14-4-5-14)27-28(3)21(18)23(30)31/h6-11,14,20H,4-5H2,1-3H3/t20-/s2
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n/an/a 20n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...


US Patent US8975417 (2015)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM150127
PNG
(US8975417, 195)
Show SMILES Cc1nn(C2CC2)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C(F)F)n2n1
Show InChI InChI=1/C22H18ClF2N7O/c1-10-9-15(29-32-20(10)26-27-21(32)19(24)25)30-17(12-3-5-13(23)6-4-12)16-11(2)28-31(14-7-8-14)18(16)22(30)33/h3-6,9,14,17,19H,7-8H2,1-2H3
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n/an/a 20n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...


US Patent US8975417 (2015)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM150130
PNG
(US8975417, 163)
Show SMILES COCc1nn(C2CC2)c2C(=O)N([C@@H](c12)c1ccc(Cl)cc1)c1cc(N)c2nnc(C)n2c1
Show InChI InChI=1/C23H22ClN7O2/c1-12-26-27-22-17(25)9-16(10-29(12)22)30-20(13-3-5-14(24)6-4-13)19-18(11-33-2)28-31(15-7-8-15)21(19)23(30)32/h3-6,9-10,15,20H,7-8,11,25H2,1-2H3/t20-/s2
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n/an/a 23n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...


US Patent US8975417 (2015)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 2 (BRD2)


(Homo sapiens (Human))
BDBM237509
PNG
(US9393232, 2.10a | US9393232, 2.10b)
Show SMILES C[C@H](CO)NC1(C(=O)Nc2ccc(cc12)-c1c(C)noc1C)c1ccccc1
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n/an/a 24n/an/an/an/an/an/a



BeiGene, Ltd.

US Patent


Assay Description
The assay was carried out in binding mixtures of the bromodomain protein, 0-10 μM compounds and tetra-acetylated histone peptide (SGRGAC.KGGAC.K...


US Patent US9393232 (2016)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM150028
PNG
(US8975417, 85)
Show SMILES Cc1nn(C2CC2)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnn(C)c2c1
Show InChI InChI=1/C23H21ClN6O/c1-12-10-17(11-18-20(12)25-27-28(18)3)29-21(14-4-6-15(24)7-5-14)19-13(2)26-30(16-8-9-16)22(19)23(29)31/h4-7,10-11,16,21H,8-9H2,1-3H3
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n/an/a 24n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...


US Patent US8975417 (2015)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM150035
PNG
(US8975417, 94)
Show SMILES Cc1nn(C2CCC2)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c(=O)n(C)c1
Show InChI InChI=1/C23H23ClN4O2/c1-13-11-18(12-26(3)22(13)29)27-20(15-7-9-16(24)10-8-15)19-14(2)25-28(17-5-4-6-17)21(19)23(27)30/h7-12,17,20H,4-6H2,1-3H3
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n/an/a 25n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...


US Patent US8975417 (2015)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM150013
PNG
(US8975417, 69)
Show SMILES CCc1nn(C2CC2)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c(=O)n(C)c1
Show InChI InChI=1/C23H23ClN4O2/c1-4-18-19-20(14-5-7-15(24)8-6-14)27(17-11-13(2)22(29)26(3)12-17)23(30)21(19)28(25-18)16-9-10-16/h5-8,11-12,16,20H,4,9-10H2,1-3H3
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n/an/a 26n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...


US Patent US8975417 (2015)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM150049
PNG
(US8975417, 109)
Show SMILES COc1ncccc1-n1nc(C)c2C(N(C(=O)c12)c1cc(C)c2nnn(C)c2n1)c1ccc(Cl)cc1
Show InChI InChI=1/C25H21ClN8O2/c1-13-12-18(28-23-20(13)29-31-32(23)3)33-21(15-7-9-16(26)10-8-15)19-14(2)30-34(22(19)25(33)35)17-6-5-11-27-24(17)36-4/h5-12,21H,1-4H3
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n/an/a 27n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...


US Patent US8975417 (2015)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM150040
PNG
(US8975417, 100)
Show SMILES COc1ncc(c(OC)n1)-n1nc(C)c2[C@H](N(C(=O)c12)c1cc(C)c(=O)n(C)c1)c1ccc(Cl)cc1
Show InChI InChI=1/C25H23ClN6O4/c1-13-10-17(12-30(3)23(13)33)31-20(15-6-8-16(26)9-7-15)19-14(2)29-32(21(19)24(31)34)18-11-27-25(36-5)28-22(18)35-4/h6-12,20H,1-5H3/t20-/s2
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n/an/a 28n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...


US Patent US8975417 (2015)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM150032
PNG
(US8975417, 90)
Show SMILES Cc1nn(-c2ccnn2C)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1
Show InChI InChI=1/C24H21ClN8O/c1-13-11-18(12-31-15(3)27-28-23(13)31)32-21(16-5-7-17(25)8-6-16)20-14(2)29-33(22(20)24(32)34)19-9-10-26-30(19)4/h5-12,21H,1-4H3
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n/an/a 28n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...


US Patent US8975417 (2015)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM150122
PNG
(US8975417, 190)
Show SMILES Cc1nn(C2CC2)c2C(=O)N([C@@H](c12)c1ccc(Cl)cc1F)c1cc(C)c2nnc(C)n2c1
Show InChI InChI=1/C23H20ClFN6O/c1-11-8-16(10-29-13(3)26-27-22(11)29)30-20(17-7-4-14(24)9-18(17)25)19-12(2)28-31(15-5-6-15)21(19)23(30)32/h4,7-10,15,20H,5-6H2,1-3H3/t20-/s2
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n/an/a 28n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...


US Patent US8975417 (2015)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM150033
PNG
(US8975417, 92)
Show SMILES Cc1nn(C2CC2)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1
Show InChI InChI=1/C23H21ClN6O/c1-12-10-18(11-28-14(3)25-26-22(12)28)29-20(15-4-6-16(24)7-5-15)19-13(2)27-30(17-8-9-17)21(19)23(29)31/h4-7,10-11,17,20H,8-9H2,1-3H3
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n/an/a 29n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...


US Patent US8975417 (2015)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50365264
PNG
(CHEMBL1738926)
Show SMILES Cc1nnc2[C@H](NC(=O)OCc3ccccc3)N=C(c3ccccc3)c3ccccc3-n12
Show InChI InChI=1S/C25H21N5O2/c1-17-28-29-24-23(27-25(31)32-16-18-10-4-2-5-11-18)26-22(19-12-6-3-7-13-19)20-14-8-9-15-21(20)30(17)24/h2-15,23H,16H2,1H3,(H,27,31)/t23-/m0/s1
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n/an/a 29.9n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Displacement of tetra-acetylated H4 peptide from human Brd2 bromodomain BD12 after 1 hr by FRET analysis


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50365264
PNG
(CHEMBL1738926)
Show SMILES Cc1nnc2[C@H](NC(=O)OCc3ccccc3)N=C(c3ccccc3)c3ccccc3-n12
Show InChI InChI=1S/C25H21N5O2/c1-17-28-29-24-23(27-25(31)32-16-18-10-4-2-5-11-18)26-22(19-12-6-3-7-13-19)20-14-8-9-15-21(20)30(17)24/h2-15,23H,16H2,1H3,(H,27,31)/t23-/m0/s1
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n/an/a 29.9n/an/an/an/an/an/a



Japan Science and Technology Agency

Curated by ChEMBL


Assay Description
Displacement of acetylated histone peptide from BRD2-BD1,2 by FRET assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM150068
PNG
(US8975417, 128)
Show SMILES COc1ncccc1-n1nc(C)c2[C@H](N(C(=O)c12)c1cc(C)c(=O)n(C)c1)c1ccc(Cl)cc1
Show InChI InChI=1/C25H22ClN5O3/c1-14-12-18(13-29(3)24(14)32)30-21(16-7-9-17(26)10-8-16)20-15(2)28-31(22(20)25(30)33)19-6-5-11-27-23(19)34-4/h5-13,21H,1-4H3/t21-/s2
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n/an/a 30n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...


US Patent US8975417 (2015)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM150014
PNG
(US8975417, 70)
Show SMILES CCc1nn(C2CC2)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1
Show InChI InChI=1/C24H23ClN6O/c1-4-19-20-21(15-5-7-16(25)8-6-15)30(24(32)22(20)31(28-19)17-9-10-17)18-11-13(2)23-27-26-14(3)29(23)12-18/h5-8,11-12,17,21H,4,9-10H2,1-3H3
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n/an/a 31n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...


US Patent US8975417 (2015)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM150051
PNG
(US8975417, 111)
Show SMILES COc1ncccc1-n1nc(C)c2C(N(C(=O)c12)c1cc(C)c2nnc(C)n2n1)c1ccc(Cl)cc1
Show InChI InChI=1/C25H21ClN8O2/c1-13-12-19(31-33-15(3)28-29-23(13)33)32-21(16-7-9-17(26)10-8-16)20-14(2)30-34(22(20)25(32)35)18-6-5-11-27-24(18)36-4/h5-12,21H,1-4H3
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n/an/a 32n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...


US Patent US8975417 (2015)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM150065
PNG
(US8975417, 125)
Show SMILES Cc1nn(-c2ccnn2C)c2C(=O)N([C@@H](c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1
Show InChI InChI=1/C24H21ClN8O/c1-13-11-18(12-31-15(3)27-28-23(13)31)32-21(16-5-7-17(25)8-6-16)20-14(2)29-33(22(20)24(32)34)19-9-10-26-30(19)4/h5-12,21H,1-4H3/t21-/s2
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n/an/a 32n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...


US Patent US8975417 (2015)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 2 (BRD2)


(Homo sapiens (Human))
BDBM237521
PNG
(US9393232, 2.22)
Show SMILES C[C@@H](O)CNC1(C2CCCCC2)C(=O)Nc2ccc(cc12)-c1c(C)noc1C
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n/an/a 32n/an/an/an/an/an/a



BeiGene, Ltd.

US Patent


Assay Description
The assay was carried out in binding mixtures of the bromodomain protein, 0-10 μM compounds and tetra-acetylated histone peptide (SGRGAC.KGGAC.K...


US Patent US9393232 (2016)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50365463
PNG
(CHEMBL1232461)
Show SMILES CCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12
Show InChI InChI=1S/C22H22ClN5O2/c1-4-24-20(29)12-18-22-27-26-13(2)28(22)19-10-9-16(30-3)11-17(19)21(25-18)14-5-7-15(23)8-6-14/h5-11,18H,4,12H2,1-3H3,(H,24,29)/t18-/m0/s1
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n/an/a 32.5n/an/an/an/an/an/a



Japan Science and Technology Agency

Curated by ChEMBL


Assay Description
Displacement of acetylated histone peptide from BRD2-BD1,2 by FRET assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50365463
PNG
(CHEMBL1232461)
Show SMILES CCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12
Show InChI InChI=1S/C22H22ClN5O2/c1-4-24-20(29)12-18-22-27-26-13(2)28(22)19-10-9-16(30-3)11-17(19)21(25-18)14-5-7-15(23)8-6-14/h5-11,18H,4,12H2,1-3H3,(H,24,29)/t18-/m0/s1
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n/an/a 32.5n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Displacement of tetra-acetylated H4 peptide from human Brd2 bromodomain BD12 after 1 hr by FRET analysis


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM150129
PNG
(US8975417, 161)
Show SMILES CNc1cc(nn2c(C)nnc12)N1[C@@H](c2c(C)nn(C3CC3)c2C1=O)c1ccc(Cl)cc1
Show InChI InChI=1/C22H21ClN8O/c1-11-18-19(13-4-6-14(23)7-5-13)29(22(32)20(18)31(27-11)15-8-9-15)17-10-16(24-3)21-26-25-12(2)30(21)28-17/h4-7,10,15,19,24H,8-9H2,1-3H3/t19-/s2
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n/an/a 33n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...


US Patent US8975417 (2015)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM150057
PNG
(US8975417, 117)
Show SMILES Cc1nnc2c(C)cc(cn12)N1C(c2c(nn(-c3ccnn3C)c2C1=O)C1CC1)c1ccc(Cl)cc1
Show InChI InChI=1/C26H23ClN8O/c1-14-12-19(13-33-15(2)29-30-25(14)33)34-23(17-6-8-18(27)9-7-17)21-22(16-4-5-16)31-35(24(21)26(34)36)20-10-11-28-32(20)3/h6-13,16,23H,4-5H2,1-3H3
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n/an/a 34n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...


US Patent US8975417 (2015)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM150054
PNG
(US8975417, 114)
Show SMILES Cc1nn(-c2ccnn2C)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2n1
Show InChI InChI=1/C23H20ClN9O/c1-12-11-17(29-32-14(3)26-27-22(12)32)31-20(15-5-7-16(24)8-6-15)19-13(2)28-33(21(19)23(31)34)18-9-10-25-30(18)4/h5-11,20H,1-4H3
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n/an/a 35n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...


US Patent US8975417 (2015)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM150135
PNG
(US8975417, 149)
Show SMILES CN(C)C(=O)n1nc(C)c2C(N(C(=O)c12)c1cc(C)c2nnc(C)n2c1)c1ccc(Cl)cc1
Show InChI InChI=1/C23H22ClN7O2/c1-12-10-17(11-29-14(3)25-26-21(12)29)30-19(15-6-8-16(24)9-7-15)18-13(2)27-31(20(18)22(30)32)23(33)28(4)5/h6-11,19H,1-5H3
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n/an/a 36n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...


US Patent US8975417 (2015)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM150056
PNG
(US8975417, 116)
Show SMILES CCn1nc(C)c2C(N(C(=O)c12)c1cc(C)c2nnc(C)n2c1)c1ccc(Cl)cc1
Show InChI InChI=1/C22H21ClN6O/c1-5-28-20-18(13(3)26-28)19(15-6-8-16(23)9-7-15)29(22(20)30)17-10-12(2)21-25-24-14(4)27(21)11-17/h6-11,19H,5H2,1-4H3
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n/an/a 36n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...


US Patent US8975417 (2015)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM150027
PNG
(US8975417, 84)
Show SMILES CCc1nn(C2CC2)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(OC)c2nnc(C)n2c1
Show InChI InChI=1/C24H23ClN6O2/c1-4-18-20-21(14-5-7-15(25)8-6-14)30(24(32)22(20)31(28-18)16-9-10-16)17-11-19(33-3)23-27-26-13(2)29(23)12-17/h5-8,11-12,16,21H,4,9-10H2,1-3H3
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n/an/a 37n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...


US Patent US8975417 (2015)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM150012
PNG
(US8975417, 68)
Show SMILES CCc1c2C(N(C(=O)c2nn1C1CC1)c1cc(C)c(=O)n(C)c1)c1ccc(Cl)cc1
Show InChI InChI=1/C23H23ClN4O2/c1-4-18-19-20(25-28(18)16-9-10-16)23(30)27(17-11-13(2)22(29)26(3)12-17)21(19)14-5-7-15(24)8-6-14/h5-8,11-12,16,21H,4,9-10H2,1-3H3
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n/an/a 37n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...


US Patent US8975417 (2015)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM150099
PNG
(US8975417, 162)
Show SMILES COCc1nn(C2CC2)c2C(=O)N([C@@H](c12)c1ccc(Cl)cc1)c1cc(C)c(=O)n(C)c1
Show InChI InChI=1/C23H23ClN4O3/c1-13-10-17(11-26(2)22(13)29)27-20(14-4-6-15(24)7-5-14)19-18(12-31-3)25-28(16-8-9-16)21(19)23(27)30/h4-7,10-11,16,20H,8-9,12H2,1-3H3/t20-/s2
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n/an/a 39n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...


US Patent US8975417 (2015)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM150121
PNG
(US8975417, 189)
Show SMILES CC(C)n1nc(C)c2[C@H](N(C(=O)c12)c1cc(C)c2nnc(C)n2c1)c1ccc(Cl)cc1F
Show InChI InChI=1/C23H22ClFN6O/c1-11(2)31-21-19(13(4)28-31)20(17-7-6-15(24)9-18(17)25)30(23(21)32)16-8-12(3)22-27-26-14(5)29(22)10-16/h6-11,20H,1-5H3/t20-/s2
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n/an/a 40n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...


US Patent US8975417 (2015)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM150069
PNG
(US8975417, 129)
Show SMILES Cc1nnc2c(C)cc(cn12)N1C(c2c(nn(C)c2C1=O)C1CC1)c1ccc(Cl)cc1
Show InChI InChI=1/C23H21ClN6O/c1-12-10-17(11-29-13(2)25-26-22(12)29)30-20(15-6-8-16(24)9-7-15)18-19(14-4-5-14)27-28(3)21(18)23(30)31/h6-11,14,20H,4-5H2,1-3H3
PDB

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n/an/a 40n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...


US Patent US8975417 (2015)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM150015
PNG
(US8975417, 71)
Show SMILES COc1ncccc1-n1nc(C)c2C(N(C(=O)c12)c1cc(C)c(=O)n(C)c1)c1ccc(Cl)cc1
Show InChI InChI=1/C25H22ClN5O3/c1-14-12-18(13-29(3)24(14)32)30-21(16-7-9-17(26)10-8-16)20-15(2)28-31(22(20)25(30)33)19-6-5-11-27-23(19)34-4/h5-13,21H,1-4H3
PDB

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n/an/a 41n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...


US Patent US8975417 (2015)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM150120
PNG
(US8975417, 188)
Show SMILES Cc1nn(C2CC2)c2C(=O)N([C@@H](c12)c1ccc(F)cc1F)c1cc(C)c2nnc(C)n2c1
Show InChI InChI=1/C23H20F2N6O/c1-11-8-16(10-29-13(3)26-27-22(11)29)30-20(17-7-4-14(24)9-18(17)25)19-12(2)28-31(15-5-6-15)21(19)23(30)32/h4,7-10,15,20H,5-6H2,1-3H3/t20-/s2
PDB

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n/an/a 41n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...


US Patent US8975417 (2015)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM150134
PNG
(US8975417, 167)
Show SMILES Cc1nn(C[C@H](O)C(F)(F)F)c2C(=O)N([C@@H](c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1
Show InChI InChI=1/C23H20ClF3N6O2/c1-11-8-16(9-31-13(3)28-29-21(11)31)33-19(14-4-6-15(24)7-5-14)18-12(2)30-32(20(18)22(33)35)10-17(34)23(25,26)27/h4-9,17,19,34H,10H2,1-3H3/t17-,19+/s2
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n/an/a 42n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...


US Patent US8975417 (2015)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM150011
PNG
(US8975417, 67)
Show SMILES COc1ncc(c(OC)n1)-n1nc2C(=O)N(C(c2c1C(C)C)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1
Show InChI InChI=1/C28H27ClN8O3/c1-14(2)23-21-22(34-37(23)20-12-30-28(40-6)31-26(20)39-5)27(38)36(24(21)17-7-9-18(29)10-8-17)19-11-15(3)25-33-32-16(4)35(25)13-19/h7-14,24H,1-6H3
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n/an/a 43n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...


US Patent US8975417 (2015)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM150041
PNG
(US8975417, 101)
Show SMILES COc1ncccc1-n1nc(C)c2C(N(C(=O)c12)c1cc(C)c2nnc(C)n2c1)c1ccc(Cl)cc1
Show InChI InChI=1/C26H22ClN7O2/c1-14-12-19(13-32-16(3)29-30-24(14)32)33-22(17-7-9-18(27)10-8-17)21-15(2)31-34(23(21)26(33)35)20-6-5-11-28-25(20)36-4/h5-13,22H,1-4H3
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n/an/a 43n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...


US Patent US8975417 (2015)

More data for this
Ligand-Target Pair
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