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Found 377 hits Enz. Inhib. hit(s) with Target = 'Bromodomain-containing protein 2' AND taxid = 9606   
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))
BDBM50092312
PNG
(BIRABRESIB | Birabresib | MK-8628 | OTX-015)
Show SMILES Cc1sc-2c(c1C)C(=N[C@@H](CC(=O)Nc1ccc(O)cc1)c1nnc(C)n-21)c1ccc(Cl)cc1
Show InChI InChI=1/C25H22ClN5O2S/c1-13-14(2)34-25-22(13)23(16-4-6-17(26)7-5-16)28-20(24-30-29-15(3)31(24)25)12-21(33)27-18-8-10-19(32)11-9-18/h4-11,20,32H,12H2,1-3H3,(H,27,33)/t20-/s2
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5.40n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of FAM-labeled ZBA248 from BRD2 BD2 (349 to 460 amino acid residues) (unknown origin) expressed in Rosetta2 DE3 cells after 30 mins by f...


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


(Homo sapiens (Human))
BDBM50380682
PNG
(CHEMBL2017291 | I-BET151 (16))
Show SMILES COc1cc2c3n([C@H](C)c4ccccn4)c(=O)[nH]c3cnc2cc1-c1c(C)noc1C
Show InChI InChI=1S/C23H21N5O3/c1-12-21(14(3)31-27-12)16-9-18-15(10-20(16)30-4)22-19(11-25-18)26-23(29)28(22)13(2)17-7-5-6-8-24-17/h5-11,13H,1-4H3,(H,26,29)/t13-/m1/s1
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9n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of FAM-labeled ZBA248 from BRD2 BD1 (72 to 205 amino acid residues) (unknown origin) expressed in Rosetta2 DE3 cells after 30 mins by fl...


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


(Homo sapiens (Human))
BDBM50092310
PNG
(CHEMBL3581661)
Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3c(C)[nH]nc3C3CC3)c21
Show InChI InChI=1S/C24H23N5O2/c1-11-21(23(28-27-11)14-5-6-14)24-22-15-10-19(30-4)16(20-12(2)29-31-13(20)3)9-18(15)26-17(22)7-8-25-24/h7-10,14,26H,5-6H2,1-4H3,(H,27,28)
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11n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of FAM-labeled ZBA248 from BRD2 BD1 (72 to 205 amino acid residues) (unknown origin) expressed in Rosetta2 DE3 cells after 30 mins by fl...


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


(Homo sapiens (Human))
BDBM50092310
PNG
(CHEMBL3581661)
Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3c(C)[nH]nc3C3CC3)c21
Show InChI InChI=1S/C24H23N5O2/c1-11-21(23(28-27-11)14-5-6-14)24-22-15-10-19(30-4)16(20-12(2)29-31-13(20)3)9-18(15)26-17(22)7-8-25-24/h7-10,14,26H,5-6H2,1-4H3,(H,27,28)
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12n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of FAM-labeled ZBA248 from BRD2 BD2 (349 to 460 amino acid residues) (unknown origin) expressed in Rosetta2 DE3 cells after 30 mins by f...


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


(Homo sapiens (Human))
BDBM50092311
PNG
(CHEMBL3581662)
Show SMILES CCc1[nH]nc(c1-c1nccc2[nH]c3cc(-c4c(C)noc4C)c(OC)cc3c12)-c1ccccc1
Show InChI InChI=1S/C28H25N5O2/c1-5-20-26(27(32-31-20)17-9-7-6-8-10-17)28-25-18-14-23(34-4)19(24-15(2)33-35-16(24)3)13-22(18)30-21(25)11-12-29-28/h6-14,30H,5H2,1-4H3,(H,31,32)
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12n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of FAM-labeled ZBA248 from BRD2 BD1 (72 to 205 amino acid residues) (unknown origin) expressed in Rosetta2 DE3 cells after 30 mins by fl...


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


(Homo sapiens (Human))
BDBM50365262
PNG
( (S)-JQ1 (1) | CHEMBL1957266)
Show SMILES Cc1nnc2[C@H](CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H25ClN4O2S/c1-12-13(2)31-22-19(12)20(15-7-9-16(24)10-8-15)25-17(11-18(29)30-23(4,5)6)21-27-26-14(3)28(21)22/h7-10,17H,11H2,1-6H3/t17-/m0/s1
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13n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of FAM-labeled ZBA248 from BRD2 BD1 (72 to 205 amino acid residues) (unknown origin) expressed in Rosetta2 DE3 cells after 30 mins by fl...


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


(Homo sapiens (Human))
BDBM50365262
PNG
( (S)-JQ1 (1) | CHEMBL1957266)
Show SMILES Cc1nnc2[C@H](CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H25ClN4O2S/c1-12-13(2)31-22-19(12)20(15-7-9-16(24)10-8-15)25-17(11-18(29)30-23(4,5)6)21-27-26-14(3)28(21)22/h7-10,17H,11H2,1-6H3/t17-/m0/s1
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13n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of FAM-labeled ZBA248 from BRD2 BD2 (349 to 460 amino acid residues) (unknown origin) expressed in Rosetta2 DE3 cells after 30 mins by f...


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


(Homo sapiens (Human))
BDBM50092341
PNG
(CHEMBL3581660)
Show SMILES CCc1n[nH]c(CC)c1-c1nccc2[nH]c3cc(-c4c(C)noc4C)c(OC)cc3c12
Show InChI InChI=1S/C24H25N5O2/c1-6-16-23(17(7-2)28-27-16)24-22-14-11-20(30-5)15(21-12(3)29-31-13(21)4)10-19(14)26-18(22)8-9-25-24/h8-11,26H,6-7H2,1-5H3,(H,27,28)
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15n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of FAM-labeled ZBA248 from BRD2 BD2 (349 to 460 amino acid residues) (unknown origin) expressed in Rosetta2 DE3 cells after 30 mins by f...


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


(Homo sapiens (Human))
BDBM50092312
PNG
(BIRABRESIB | Birabresib | MK-8628 | OTX-015)
Show SMILES Cc1sc-2c(c1C)C(=N[C@@H](CC(=O)Nc1ccc(O)cc1)c1nnc(C)n-21)c1ccc(Cl)cc1
Show InChI InChI=1/C25H22ClN5O2S/c1-13-14(2)34-25-22(13)23(16-4-6-17(26)7-5-16)28-20(24-30-29-15(3)31(24)25)12-21(33)27-18-8-10-19(32)11-9-18/h4-11,20,32H,12H2,1-3H3,(H,27,33)/t20-/s2
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17n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of FAM-labeled ZBA248 from BRD2 BD1 (72 to 205 amino acid residues) (unknown origin) expressed in Rosetta2 DE3 cells after 30 mins by fl...


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


(Homo sapiens (Human))
BDBM50092341
PNG
(CHEMBL3581660)
Show SMILES CCc1n[nH]c(CC)c1-c1nccc2[nH]c3cc(-c4c(C)noc4C)c(OC)cc3c12
Show InChI InChI=1S/C24H25N5O2/c1-6-16-23(17(7-2)28-27-16)24-22-14-11-20(30-5)15(21-12(3)29-31-13(21)4)10-19(14)26-18(22)8-9-25-24/h8-11,26H,6-7H2,1-5H3,(H,27,28)
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21n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of FAM-labeled ZBA248 from BRD2 BD1 (72 to 205 amino acid residues) (unknown origin) expressed in Rosetta2 DE3 cells after 30 mins by fl...


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


(Homo sapiens (Human))
BDBM50092311
PNG
(CHEMBL3581662)
Show SMILES CCc1[nH]nc(c1-c1nccc2[nH]c3cc(-c4c(C)noc4C)c(OC)cc3c12)-c1ccccc1
Show InChI InChI=1S/C28H25N5O2/c1-5-20-26(27(32-31-20)17-9-7-6-8-10-17)28-25-18-14-23(34-4)19(24-15(2)33-35-16(24)3)13-22(18)30-21(25)11-12-29-28/h6-14,30H,5H2,1-4H3,(H,31,32)
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22n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of FAM-labeled ZBA248 from BRD2 BD2 (349 to 460 amino acid residues) (unknown origin) expressed in Rosetta2 DE3 cells after 30 mins by f...


Citation and Details
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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49n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of FAM-labeled ZBA248 from BRD2 BD2 (349 to 460 amino acid residues) (unknown origin) expressed in Rosetta2 DE3 cells after 30 mins by f...


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


(Homo sapiens (Human))
BDBM50380682
PNG
(CHEMBL2017291 | I-BET151 (16))
Show SMILES COc1cc2c3n([C@H](C)c4ccccn4)c(=O)[nH]c3cnc2cc1-c1c(C)noc1C
Show InChI InChI=1S/C23H21N5O3/c1-12-21(14(3)31-27-12)16-9-18-15(10-20(16)30-4)22-19(11-25-18)26-23(29)28(22)13(2)17-7-5-6-8-24-17/h5-11,13H,1-4H3,(H,26,29)/t13-/m1/s1
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50n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of FAM-labeled ZBA248 from BRD2 BD2 (349 to 460 amino acid residues) (unknown origin) expressed in Rosetta2 DE3 cells after 30 mins by f...


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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57n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of FAM-labeled ZBA248 from BRD2 BD1 (72 to 205 amino acid residues) (unknown origin) expressed in Rosetta2 DE3 cells after 30 mins by fl...


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


(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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US Patent
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))
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))
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))
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


(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))
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))
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))
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


(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))
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))
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))
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


(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))
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))
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))
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))
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))
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
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