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Compile Data Set for Download or QSAR

Found 126 hits of Enz. Inhib. data with enzyme = 'Bromodomain-containing protein 2' and Substrate = 'to-be-curated'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM274222
PNG
(1-(1-acetylazetidin-3-yl)-6-(4-chlorophenyl)-3-cyc...)
Show SMILES CC(=O)N1CC(C1)n1cc(C2CC2)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1
Show InChI InChI=1S/C28H27ClN6O2/c1-15-10-21(13-33-16(2)30-31-27(15)33)35-25(19-6-8-20(29)9-7-19)26-24(28(35)37)23(18-4-5-18)14-34(26)22-11-32(12-22)17(3)36/h6-10,13-14,18,22,25H,4-5,11-12H2,1-3H3
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n/an/a<11n/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 US9550796 (2017)

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


(Homo sapiens (Human))
BDBM274305
PNG
(6-(4-chlorophenyl)-3-cyclopropyl-5-(3,7-dimethyl-3...)
Show SMILES CN1CC(C1)n1cc(C2CC2)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnn(C)c2n1
Show InChI InChI=1S/C26H26ClN7O/c1-14-10-20(28-25-22(14)29-30-32(25)3)34-23(16-6-8-17(27)9-7-16)24-21(26(34)35)19(15-4-5-15)13-33(24)18-11-31(2)12-18/h6-10,13,15,18,23H,4-5,11-12H2,1-3H3
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n/an/a 13n/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 US9550796 (2017)

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


(Homo sapiens (Human))
BDBM274304
PNG
(1-(1-acetylazetidin-3-yl)-6-(4-chlorophenyl)-3-cyc...)
Show SMILES CC(=O)N1CC(C1)n1cc(C2CC2)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnn(C)c2n1
Show InChI InChI=1S/C27H26ClN7O2/c1-14-10-21(29-26-23(14)30-31-32(26)3)35-24(17-6-8-18(28)9-7-17)25-22(27(35)37)20(16-4-5-16)13-34(25)19-11-33(12-19)15(2)36/h6-10,13,16,19,24H,4-5,11-12H2,1-3H3
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n/an/a 13n/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 US9550796 (2017)

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


(Homo sapiens (Human))
BDBM274221
PNG
(6-(4-chlorophenyl)-3-cyclopropyl-5-(3,8-di methyl-...)
Show SMILES CN1CC(C1)n1cc(C2CC2)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1
Show InChI InChI=1S/C27H27ClN6O/c1-15-10-20(13-32-16(2)29-30-26(15)32)34-24(18-6-8-19(28)9-7-18)25-23(27(34)35)22(17-4-5-17)14-33(25)21-11-31(3)12-21/h6-10,13-14,17,21,24H,4-5,11-12H2,1-3H3
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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 US9550796 (2017)

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


(Homo sapiens (Human))
BDBM274223
PNG
(6-(4-chlorophenyl)-3-cyclopropyl-5-(3,8-dimethyl-[...)
Show SMILES Cc1nnc2c(C)cc(cn12)N1C(c2c(C1=O)c(cn2C1COC1)C1CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H24ClN5O2/c1-14-9-19(10-30-15(2)28-29-25(14)30)32-23(17-5-7-18(27)8-6-17)24-22(26(32)33)21(16-3-4-16)11-31(24)20-12-34-13-20/h5-11,16,20,23H,3-4,12-13H2,1-2H3
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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 US9550796 (2017)

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


(Homo sapiens (Human))
BDBM264434
PNG
(6-(4-chlorophenyl)-3-cyclopropyl-5-(1,5-dimethyl-6...)
Show SMILES COCCNC1=C(C(=N)C2CC2)C(=O)N(C1c1ccc(Cl)cc1)c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C24H27ClN4O3/c1-14-12-18(13-28(2)23(14)30)29-22(16-6-8-17(25)9-7-16)21(27-10-11-32-3)19(24(29)31)20(26)15-4-5-15/h6-9,12-13,15,22,26-27H,4-5,10-11H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

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UniChem
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 US9714249 (2017)

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


(Homo sapiens (Human))
BDBM274292
PNG
(6-(4-chlorophenyl)-5-(3,7-dimethyl-3H-[1,2,3]triaz...)
Show SMILES CNC(=O)c1cn(C)c2C(N(C(=O)c12)c1cc(C)c2nnn(C)c2n1)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H20ClN7O2/c1-11-9-15(25-20-17(11)26-27-29(20)4)30-18(12-5-7-13(23)8-6-12)19-16(22(30)32)14(10-28(19)3)21(31)24-2/h5-10,18H,1-4H3,(H,24,31)
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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 US9550796 (2017)

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


(Homo sapiens (Human))
BDBM274296
PNG
(Ethyl (6-(4-chlorophenyl)-5-(3,7-dimethyl-3H-[1,2,...)
Show SMILES CCOC(=O)Nc1cn(C)c2C(N(C(=O)c12)c1cc(C)c2nnn(C)c2n1)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H22ClN7O3/c1-5-34-23(33)25-15-11-29(3)20-17(15)22(32)31(19(20)13-6-8-14(24)9-7-13)16-10-12(2)18-21(26-16)30(4)28-27-18/h6-11,19H,5H2,1-4H3,(H,25,33)
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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 US9550796 (2017)

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


(Homo sapiens (Human))
BDBM274298
PNG
(6-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo...)
Show SMILES CNC(=O)c1cn(C)c2C(N(C(=O)c12)c1cc(C)c2nnc(C)n2c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H21ClN6O2/c1-12-9-16(10-29-13(2)26-27-21(12)29)30-19(14-5-7-15(24)8-6-14)20-18(23(30)32)17(11-28(20)4)22(31)25-3/h5-11,19H,1-4H3,(H,25,31)
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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 US9550796 (2017)

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


(Homo sapiens (Human))
BDBM274293
PNG
(6-(4-chlorophenyl)-5-(3,7-dimethyl-3H-[1,2,3]triaz...)
Show SMILES CN(C)C(=O)c1cn(C)c2C(N(C(=O)c12)c1cc(C)c2nnn(C)c2n1)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H22ClN7O2/c1-12-10-16(25-21-18(12)26-27-30(21)5)31-19(13-6-8-14(24)9-7-13)20-17(23(31)33)15(11-29(20)4)22(32)28(2)3/h6-11,19H,1-5H3
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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 US9550796 (2017)

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


(Homo sapiens (Human))
BDBM274239
PNG
((R)-6-(4-chlorophenyl)-3-cyclopropyl-5-(3,8-dimeth...)
Show SMILES Cc1nnc2c(C)cc(cn12)N1[C@@H](c2c(C1=O)c(cn2C)C1CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H22ClN5O/c1-13-10-18(11-29-14(2)26-27-23(13)29)30-21(16-6-8-17(25)9-7-16)22-20(24(30)31)19(12-28(22)3)15-4-5-15/h6-12,15,21H,4-5H2,1-3H3/t21-/m1/s1
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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 US9550796 (2017)

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


(Homo sapiens (Human))
BDBM274238
PNG
(6-(4-chlorophenyl)-3-cyclopropyl-5-(3,8-dimethyl-[...)
Show SMILES Cc1nnc2c(C)cc(cn12)N1C(c2c(C1=O)c(cn2C)C1CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H22ClN5O/c1-13-10-18(11-29-14(2)26-27-23(13)29)30-21(16-6-8-17(25)9-7-16)22-20(24(30)31)19(12-28(22)3)15-4-5-15/h6-12,15,21H,4-5H2,1-3H3
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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 US9550796 (2017)

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


(Homo sapiens (Human))
BDBM274249
PNG
(6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-1,6-dihyd...)
Show SMILES Cc1cc(cn(C)c1=O)N1C(c2c(cc(-c3ccc(=O)n(C)c3)n2C)C1=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H23ClN4O3/c1-15-11-19(14-29(3)25(15)33)31-23(16-5-8-18(27)9-6-16)24-20(26(31)34)12-21(30(24)4)17-7-10-22(32)28(2)13-17/h5-14,23H,1-4H3
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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 US9550796 (2017)

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


(Homo sapiens (Human))
BDBM274232
PNG
(6-(4-chlorophenyl)-5-(1,4-dimethyl-1H-benzo[d][1,2...)
Show SMILES Cc1cn(C)c2C(N(C(=O)c12)c1cc(C)c2nnn(C)c2c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H20ClN5O/c1-12-9-16(10-17-19(12)24-25-27(17)4)28-20(14-5-7-15(23)8-6-14)21-18(22(28)29)13(2)11-26(21)3/h5-11,20H,1-4H3
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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 US9550796 (2017)

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


(Homo sapiens (Human))
BDBM264432
PNG
((R)-6-(4-chlorophenyl)-3-cyclopropyl-5-(3,8-dimeth...)
Show SMILES CNC1=C(C(=N)C2CC2)C(=O)N([C@@H]1c1ccc(Cl)cc1)c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C22H23ClN4O2/c1-12-10-16(11-26(3)21(12)28)27-20(14-6-8-15(23)9-7-14)19(25-2)17(22(27)29)18(24)13-4-5-13/h6-11,13,20,24-25H,4-5H2,1-3H3/t20-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
UniChem
n/an/a 22n/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 US9714249 (2017)

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


(Homo sapiens (Human))
BDBM274248
PNG
(6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-1,6-dihyd...)
Show SMILES Cc1cc(cn(C)c1=O)N1C(c2c(cc(-c3ccn(C)c(=O)c3)n2C)C1=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H23ClN4O3/c1-15-11-19(14-29(3)25(15)33)31-23(16-5-7-18(27)8-6-16)24-20(26(31)34)13-21(30(24)4)17-9-10-28(2)22(32)12-17/h5-14,23H,1-4H3
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n/an/a 22n/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 US9550796 (2017)

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


(Homo sapiens (Human))
BDBM274224
PNG
(6-(4-chlorophenyl)-5-(3,7-di methyl-3H-[1,2,3]tria...)
Show SMILES CN1CC(C1)n1cc(C)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnn(C)c2n1
Show InChI InChI=1S/C24H24ClN7O/c1-13-9-18(26-23-20(13)27-28-30(23)4)32-21(15-5-7-16(25)8-6-15)22-19(24(32)33)14(2)10-31(22)17-11-29(3)12-17/h5-10,17,21H,11-12H2,1-4H3
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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 US9550796 (2017)

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


(Homo sapiens (Human))
BDBM274209
PNG
(6-(4-chlorophenyl)-5-(3,7-dimethyl-3H-[1,2,3]triaz...)
Show SMILES COCn1cc(C)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnn(C)c2n1
Show InChI InChI=1S/C22H21ClN6O2/c1-12-9-16(24-21-18(12)25-26-27(21)3)29-19(14-5-7-15(23)8-6-14)20-17(22(29)30)13(2)10-28(20)11-31-4/h5-10,19H,11H2,1-4H3
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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 US9550796 (2017)

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


(Homo sapiens (Human))
BDBM274220
PNG
(6-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo...)
Show SMILES Cc1cn(CCO)c2C(N(C(=O)c12)c1cc(C)c2nnc(C)n2c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H22ClN5O2/c1-13-10-18(12-28-15(3)25-26-22(13)28)29-20(16-4-6-17(24)7-5-16)21-19(23(29)31)14(2)11-27(21)8-9-30/h4-7,10-12,20,30H,8-9H2,1-3H3
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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 US9550796 (2017)

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


(Homo sapiens (Human))
BDBM274210
PNG
(6-(4-chlorophenyl)-5-(3,8-di methyl-[1,2,4]triazol...)
Show SMILES Cc1c[nH]c2C(N(C(=O)c12)c1cc(C)c2nnc(C)n2c1)c1ccc(Cl)cc1
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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 US9550796 (2017)

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


(Homo sapiens (Human))
BDBM274257
PNG
((R)-6-(4-chlorophenyl)-2-(2,4-dimethoxypyrimidin-5...)
Show SMILES COc1ncc(-c2cc3C(=O)N([C@@H](c3n2C)c2ccc(Cl)cc2)c2cc(C)c(=O)n(C)c2)c(OC)n1
Show InChI InChI=1S/C26H24ClN5O4/c1-14-10-17(13-30(2)24(14)33)32-21(15-6-8-16(27)9-7-15)22-18(25(32)34)11-20(31(22)3)19-12-28-26(36-5)29-23(19)35-4/h6-13,21H,1-5H3/t21-/m1/s1
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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 US9550796 (2017)

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


(Homo sapiens (Human))
BDBM274215
PNG
(6-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo...)
Show SMILES CNC(=O)n1cc(C)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1
Show InChI InChI=1S/C23H21ClN6O2/c1-12-9-17(11-28-14(3)26-27-21(12)28)30-19(15-5-7-16(24)8-6-15)20-18(22(30)31)13(2)10-29(20)23(32)25-4/h5-11,19H,1-4H3,(H,25,32)
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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 US9550796 (2017)

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


(Homo sapiens (Human))
BDBM274259
PNG
((R)-6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-1,6-d...)
Show SMILES COc1ncc(cn1)-c1cc2C(=O)N([C@@H](c2n1C)c1ccc(Cl)cc1)c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C25H22ClN5O3/c1-14-9-18(13-29(2)23(14)32)31-21(15-5-7-17(26)8-6-15)22-19(24(31)33)10-20(30(22)3)16-11-27-25(34-4)28-12-16/h5-13,21H,1-4H3/t21-/m1/s1
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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 US9550796 (2017)

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


(Homo sapiens (Human))
BDBM274302
PNG
(N-(6-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]triaz...)
Show SMILES CC(=O)Nc1cn(C)c2C(N(C(=O)c12)c1cc(C)c2nnc(C)n2c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H21ClN6O2/c1-12-9-17(10-29-13(2)26-27-22(12)29)30-20(15-5-7-16(24)8-6-15)21-19(23(30)32)18(11-28(21)4)25-14(3)31/h5-11,20H,1-4H3,(H,25,31)
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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 US9550796 (2017)

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


(Homo sapiens (Human))
BDBM264431
PNG
(6-(4-chlorophenyl)-3-cyclopropyl-5-(1,5-dimethyl-6...)
Show SMILES CNC1=C(C(=N)C2CC2)C(=O)N(C1c1ccc(Cl)cc1)c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C22H23ClN4O2/c1-12-10-16(11-26(3)21(12)28)27-20(14-6-8-15(23)9-7-14)19(25-2)17(22(27)29)18(24)13-4-5-13/h6-11,13,20,24-25H,4-5H2,1-3H3
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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 US9714249 (2017)

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


(Homo sapiens (Human))
BDBM274254
PNG
(6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-1,6-dihyd...)
Show SMILES CN(C)c1cccc(n1)-c1cc2C(=O)N(C(c2n1C)c1ccc(Cl)cc1)c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C27H26ClN5O2/c1-16-13-19(15-31(4)26(16)34)33-24(17-9-11-18(28)12-10-17)25-20(27(33)35)14-22(32(25)5)21-7-6-8-23(29-21)30(2)3/h6-15,24H,1-5H3
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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 US9550796 (2017)

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


(Homo sapiens (Human))
BDBM264438
PNG
(5-(5-chloro-1-methyl-6-oxo-1,6-dihydropyridin-3-yl...)
Show SMILES COc1ncccc1-n1nc(C)c2C(=O)N([C@@H](c12)c1ccc(Cl)cc1)c1cc(Cl)c(=O)n(C)c1
Show InChI InChI=1S/C24H19Cl2N5O3/c1-13-19-21(31(28-13)18-5-4-10-27-22(18)34-3)20(14-6-8-15(25)9-7-14)30(24(19)33)16-11-17(26)23(32)29(2)12-16/h4-12,20H,1-3H3/t20-/m1/s1
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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 US9714249 (2017)

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


(Homo sapiens (Human))
BDBM274213
PNG
(1-(1-acetylazetidin-3-yl)-6-(4-chlorophenyl)-5-(3,...)
Show SMILES CC(=O)N1CC(C1)n1cc(C)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1
Show InChI InChI=1S/C26H25ClN6O2/c1-14-9-20(13-31-16(3)28-29-25(14)31)33-23(18-5-7-19(27)8-6-18)24-22(26(33)35)15(2)10-32(24)21-11-30(12-21)17(4)34/h5-10,13,21,23H,11-12H2,1-4H3
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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 US9550796 (2017)

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


(Homo sapiens (Human))
BDBM274294
PNG
(Tert-butyl (6-(4-chlorophenyl)-5-(3,7-dimethyl-3H-...)
Show SMILES Cc1cc(nc2n(C)nnc12)N1C(c2c(C1=O)c(NC(=O)OC(C)(C)C)cn2C)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H26ClN7O3/c1-13-11-17(28-22-19(13)29-30-32(22)6)33-20(14-7-9-15(26)10-8-14)21-18(23(33)34)16(12-31(21)5)27-24(35)36-25(2,3)4/h7-12,20H,1-6H3,(H,27,35)
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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 US9550796 (2017)

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


(Homo sapiens (Human))
BDBM274303
PNG
(6-(4-chlorophenyl)-3-cyclopropyl-5-(3,7-dimethyl-3...)
Show SMILES Cc1cc(nc2n(C)nnc12)N1C(c2c(C1=O)c(cn2C1COC1)C1CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H23ClN6O2/c1-13-9-19(27-24-21(13)28-29-30(24)2)32-22(15-5-7-16(26)8-6-15)23-20(25(32)33)18(14-3-4-14)10-31(23)17-11-34-12-17/h5-10,14,17,22H,3-4,11-12H2,1-2H3
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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 US9550796 (2017)

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


(Homo sapiens (Human))
BDBM264452
PNG
(6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-1,6-dihyd...)
Show SMILES CCOc1ncccc1-n1nc(C)c2C(=O)N([C@@H](c12)c1ccc(Cl)cc1)c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C26H24ClN5O3/c1-5-35-24-20(7-6-12-28-24)32-23-21(16(3)29-32)26(34)31(19-13-15(2)25(33)30(4)14-19)22(23)17-8-10-18(27)11-9-17/h6-14,22H,5H2,1-4H3/t22-/m1/s1
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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 US9714249 (2017)

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


(Homo sapiens (Human))
BDBM274236
PNG
(6-(4-chlorophenyl)-5-(3,8-di methyl-[1,2,4]triazol...)
Show SMILES Cc1cn(C)c2C(N(C(=O)c12)c1cc(C)c2nnc(C)n2c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H20ClN5O/c1-12-9-17(11-27-14(3)24-25-21(12)27)28-19(15-5-7-16(23)8-6-15)20-18(22(28)29)13(2)10-26(20)4/h5-11,19H,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 US9550796 (2017)

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


(Homo sapiens (Human))
BDBM274295
PNG
(N-(6-(4-chlorophenyl)-5-(3,7-dimethyl-3H-[1,2,3]tr...)
Show SMILES CC(=O)Nc1cn(C)c2C(N(C(=O)c12)c1cc(C)c2nnn(C)c2n1)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H20ClN7O2/c1-11-9-16(25-21-18(11)26-27-29(21)4)30-19(13-5-7-14(23)8-6-13)20-17(22(30)32)15(10-28(20)3)24-12(2)31/h5-10,19H,1-4H3,(H,24,31)
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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 US9550796 (2017)

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


(Homo sapiens (Human))
BDBM274231
PNG
(6-(4-chlorophenyl)-5-(3,8-di methyl-[1,2,4]triazol...)
Show SMILES COc1ncccc1-c1cc2C(=O)N(C(c2[nH]1)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1
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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 US9550796 (2017)

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


(Homo sapiens (Human))
BDBM274237
PNG
(6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-1,6-dihyd...)
Show SMILES Cc1cn(C)c2C(N(C(=O)c12)c1cc(C)c(=O)n(C)c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H20ClN3O2/c1-12-9-16(11-24(4)20(12)26)25-18(14-5-7-15(22)8-6-14)19-17(21(25)27)13(2)10-23(19)3/h5-11,18H,1-4H3
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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 US9550796 (2017)

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


(Homo sapiens (Human))
BDBM274253
PNG
(6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-1,6-dihyd...)
Show SMILES CN(C)c1ccc(cn1)-c1cc2C(=O)N(C(c2n1C)c1ccc(Cl)cc1)c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C27H26ClN5O2/c1-16-12-20(15-31(4)26(16)34)33-24(17-6-9-19(28)10-7-17)25-21(27(33)35)13-22(32(25)5)18-8-11-23(29-14-18)30(2)3/h6-15,24H,1-5H3
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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 US9550796 (2017)

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


(Homo sapiens (Human))
BDBM264463
PNG
((R)-6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-1,6-d...)
Show SMILES Cc1[nH]nc2[C@H](N(C(=O)c12)c1cc(C)c(=O)n(C)c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H17ClN4O2/c1-10-8-14(9-23(3)18(10)25)24-17(12-4-6-13(20)7-5-12)16-15(19(24)26)11(2)21-22-16/h4-9,17H,1-3H3,(H,21,22)/t17-/m1/s1
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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 US9714249 (2017)

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


(Homo sapiens (Human))
BDBM264443
PNG
(6-(4-chlorophenyl)-1-cyclopropyl-5-(1,5-dimethyl-6...)
Show SMILES Cc1nn(C2CC2)c2C(N(C(=O)c12)c1cc(C)c(=O)n(C)c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H21ClN4O2/c1-12-10-17(11-25(3)21(12)28)26-19(14-4-6-15(23)7-5-14)20-18(22(26)29)13(2)24-27(20)16-8-9-16/h4-7,10-11,16,19H,8-9H2,1-3H3
PDB

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n/an/a 38n/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 US9714249 (2017)

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


(Homo sapiens (Human))
BDBM274226
PNG
(Ethyl 6-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]tr...)
Show SMILES CCOC(=O)n1ccc2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1
Show InChI InChI=1S/C23H20ClN5O3/c1-4-32-23(31)27-10-9-18-20(27)19(15-5-7-16(24)8-6-15)29(22(18)30)17-11-13(2)21-26-25-14(3)28(21)12-17/h5-12,19H,4H2,1-3H3
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n/an/a 38n/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 US9550796 (2017)

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


(Homo sapiens (Human))
BDBM274240
PNG
(6-(4-chlorophenyl)-3-cyclopropyl-5-(1,5-dimethyl-6...)
Show SMILES Cc1cc(cn(C)c1=O)N1C(c2c(C1=O)c(cn2C)C1CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H22ClN3O2/c1-13-10-17(11-26(3)22(13)28)27-20(15-6-8-16(24)9-7-15)21-19(23(27)29)18(12-25(21)2)14-4-5-14/h6-12,14,20H,4-5H2,1-3H3
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n/an/a 38n/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 US9550796 (2017)

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


(Homo sapiens (Human))
BDBM274229
PNG
(6-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo...)
Show SMILES Cc1nnc2c(C)cc(cn12)N1C(c2[nH]c(cc2C1=O)-c1cccn(C)c1=O)c1ccc(Cl)cc1
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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 US9550796 (2017)

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


(Homo sapiens (Human))
BDBM274217
PNG
(Ethyl 6-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]tr...)
Show SMILES CCOC(=O)n1cc(C)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1
Show InChI InChI=1S/C24H22ClN5O3/c1-5-33-24(32)29-11-14(3)19-21(29)20(16-6-8-17(25)9-7-16)30(23(19)31)18-10-13(2)22-27-26-15(4)28(22)12-18/h6-12,20H,5H2,1-4H3
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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 US9550796 (2017)

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


(Homo sapiens (Human))
BDBM274212
PNG
(6-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo...)
Show SMILES Cc1cn(C2COC2)c2C(N(C(=O)c12)c1cc(C)c2nnc(C)n2c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H22ClN5O2/c1-13-8-18(10-28-15(3)26-27-23(13)28)30-21(16-4-6-17(25)7-5-16)22-20(24(30)31)14(2)9-29(22)19-11-32-12-19/h4-10,19,21H,11-12H2,1-3H3
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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 US9550796 (2017)

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


(Homo sapiens (Human))
BDBM274299
PNG
(6-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo...)
Show SMILES CN(C)C(=O)c1cn(C)c2C(N(C(=O)c12)c1cc(C)c2nnc(C)n2c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H23ClN6O2/c1-13-10-17(11-30-14(2)26-27-22(13)30)31-20(15-6-8-16(25)9-7-15)21-19(24(31)33)18(12-29(21)5)23(32)28(3)4/h6-12,20H,1-5H3
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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 US9550796 (2017)

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


(Homo sapiens (Human))
BDBM274261
PNG
(6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-1,6-dihyd...)
Show SMILES COc1ccc(cn1)-c1cc2C(=O)N(C(c2n1C)c1ccc(Cl)cc1)c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C26H23ClN4O3/c1-15-11-19(14-29(2)25(15)32)31-23(16-5-8-18(27)9-6-16)24-20(26(31)33)12-21(30(24)3)17-7-10-22(34-4)28-13-17/h5-14,23H,1-4H3
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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 US9550796 (2017)

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


(Homo sapiens (Human))
BDBM274214
PNG
(Ethyl 3-(6-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4...)
Show SMILES CCOC(=O)N1CC(C1)n1cc(C)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1
Show InChI InChI=1S/C27H27ClN6O3/c1-5-37-27(36)31-12-21(13-31)33-11-16(3)22-24(33)23(18-6-8-19(28)9-7-18)34(26(22)35)20-10-15(2)25-30-29-17(4)32(25)14-20/h6-11,14,21,23H,5,12-13H2,1-4H3
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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 US9550796 (2017)

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


(Homo sapiens (Human))
BDBM274256
PNG
(6-(4-chlorophenyl)-2-(2,4-dimethoxypyrimidin-5-yl)...)
Show SMILES COc1ncc(-c2cc3C(=O)N(C(c3n2C)c2ccc(Cl)cc2)c2cc(C)c(=O)n(C)c2)c(OC)n1
Show InChI InChI=1S/C26H24ClN5O4/c1-14-10-17(13-30(2)24(14)33)32-21(15-6-8-16(27)9-7-15)22-18(25(32)34)11-20(31(22)3)19-12-28-26(36-5)29-23(19)35-4/h6-13,21H,1-5H3
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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 US9550796 (2017)

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


(Homo sapiens (Human))
BDBM264433
PNG
(6-(4-chlorophenyl)-3-cyclopropyl-5-(1,5-dimethyl-6...)
Show SMILES Cc1cc(cn(C)c1=O)N1C(C(NCCO)=C(C(=N)C2CC2)C1=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H25ClN4O3/c1-13-11-17(12-27(2)22(13)30)28-21(15-5-7-16(24)8-6-15)20(26-9-10-29)18(23(28)31)19(25)14-3-4-14/h5-8,11-12,14,21,25-26,29H,3-4,9-10H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
UniChem
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 US9714249 (2017)

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


(Homo sapiens (Human))
BDBM274269
PNG
(6-(4-chlorophenyl)-1-cyclopropyl-5-(1,5-dimethyl-6...)
Show SMILES Cc1cc(cn(C)c1=O)N1C(c2c(cc(-c3ccc(=O)n(C)c3)n2C2CC2)C1=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C28H25ClN4O3/c1-16-12-21(15-31(3)27(16)35)33-25(17-4-7-19(29)8-5-17)26-22(28(33)36)13-23(32(26)20-9-10-20)18-6-11-24(34)30(2)14-18/h4-8,11-15,20,25H,9-10H2,1-3H3
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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 US9550796 (2017)

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


(Homo sapiens (Human))
BDBM274301
PNG
(Tert-butyl (6-(4-chlorophenyl)-5-(3,8-dimethyl-[1,...)
Show SMILES Cc1nnc2c(C)cc(cn12)N1C(c2c(C1=O)c(NC(=O)OC(C)(C)C)cn2C)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H27ClN6O3/c1-14-11-18(12-32-15(2)29-30-23(14)32)33-21(16-7-9-17(27)10-8-16)22-20(24(33)34)19(13-31(22)6)28-25(35)36-26(3,4)5/h7-13,21H,1-6H3,(H,28,35)
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n/an/a 44n/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 US9550796 (2017)

More data for this
Ligand-Target Pair
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