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Patent code US9714249

Compile Data Set for Download or QSAR
Found 134 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Bromodomain-containing protein 3


(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

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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 US9714249 (2017)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(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

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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 US9714249 (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

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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 US9714249 (2017)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(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

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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 US9714249 (2017)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(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

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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 US9714249 (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

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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 US9714249 (2017)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(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
PDB

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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 US9714249 (2017)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(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
PDB

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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 US9714249 (2017)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(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
PDB

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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 US9714249 (2017)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(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
PDB

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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 US9714249 (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
PDB

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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))
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
PDB

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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 3


(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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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 3


(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

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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 US9714249 (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
PDB

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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 US9714249 (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
PDB

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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 US9714249 (2017)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(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
PDB

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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 3


(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
PDB

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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 US9714249 (2017)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(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 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 US9714249 (2017)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(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
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 US9714249 (2017)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(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 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 US9714249 (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

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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 US9714249 (2017)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(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

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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 US9714249 (2017)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM264450
PNG
(6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-1,6-dihyd...)
Show SMILES COc1ncccc1-n1nc(C)c2C(=O)N([C@@H](c12)c1ccc(Cl)cc1)c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C25H22ClN5O3/c1-14-12-18(13-29(3)24(14)32)30-21(16-7-9-17(26)10-8-16)22-20(25(30)33)15(2)28-31(22)19-6-5-11-27-23(19)34-4/h5-13,21H,1-4H3/t21-/m1/s1
PDB

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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 US9714249 (2017)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM264444
PNG
(6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-1,6-dihyd...)
Show SMILES CC(C)n1nc(C)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C22H23ClN4O2/c1-12(2)27-20-18(14(4)24-27)22(29)26(17-10-13(3)21(28)25(5)11-17)19(20)15-6-8-16(23)9-7-15/h6-12,19H,1-5H3
PDB

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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 US9714249 (2017)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM264460
PNG
((R)-6-(4-chlorophenyl)-3-cyclopropyl-5-(1,5-dimeth...)
Show SMILES Cc1cc(cn(C)c1=O)N1[C@@H](c2[nH]nc(C3CC3)c2C1=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H19ClN4O2/c1-11-9-15(10-25(2)20(11)27)26-19(13-5-7-14(22)8-6-13)18-16(21(26)28)17(23-24-18)12-3-4-12/h5-10,12,19H,3-4H2,1-2H3,(H,23,24)/t19-/m1/s1
PDB

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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 US9714249 (2017)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM264455
PNG
(6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-1,6-dihyd...)
Show SMILES COc1ccc(cn1)-n1nc(C)c2C(=O)N([C@@H](c12)c1ccc(Cl)cc1)c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C25H22ClN5O3/c1-14-11-19(13-29(3)24(14)32)30-22(16-5-7-17(26)8-6-16)23-21(25(30)33)15(2)28-31(23)18-9-10-20(34-4)27-12-18/h5-13,22H,1-4H3/t22-/m1/s1
PDB

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n/an/a 48n/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))
BDBM264448
PNG
((R)-6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-1,6-d...)
Show SMILES COc1ncccc1-c1nn(C)c2[C@H](N(C(=O)c12)c1cc(C)c(=O)n(C)c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H22ClN5O3/c1-14-12-17(13-29(2)24(14)32)31-21(15-7-9-16(26)10-8-15)22-19(25(31)33)20(28-30(22)3)18-6-5-11-27-23(18)34-4/h5-13,21H,1-4H3/t21-/m1/s1
PDB

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n/an/a 48.5n/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))
BDBM264455
PNG
(6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-1,6-dihyd...)
Show SMILES COc1ccc(cn1)-n1nc(C)c2C(=O)N([C@@H](c12)c1ccc(Cl)cc1)c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C25H22ClN5O3/c1-14-11-19(13-29(3)24(14)32)30-22(16-5-7-17(26)8-6-16)23-21(25(30)33)15(2)28-31(23)18-9-10-20(34-4)27-12-18/h5-13,22H,1-4H3/t22-/m1/s1
PDB

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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 US9714249 (2017)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM264459
PNG
(6-(4-chlorophenyl)-3-cyclopropyl-5-(1,5-dimethyl-6...)
Show SMILES Cc1cc(cn(C)c1=O)N1C(c2[nH]nc(C3CC3)c2C1=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H19ClN4O2/c1-11-9-15(10-25(2)20(11)27)26-19(13-5-7-14(22)8-6-13)18-16(21(26)28)17(23-24-18)12-3-4-12/h5-10,12,19H,3-4H2,1-2H3,(H,23,24)
PDB

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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 US9714249 (2017)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM264454
PNG
(6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-1,6-dihyd...)
Show SMILES COc1ccc(cn1)-n1nc(C)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C25H22ClN5O3/c1-14-11-19(13-29(3)24(14)32)30-22(16-5-7-17(26)8-6-16)23-21(25(30)33)15(2)28-31(23)18-9-10-20(34-4)27-12-18/h5-13,22H,1-4H3
PDB

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n/an/a 50n/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 3


(Homo sapiens (Human))
BDBM264462
PNG
((R)-6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-1,6-d...)
Show SMILES COc1ncccc1-n1nc2[C@H](N(C(=O)c2c1C)c1cc(C)c(=O)n(C)c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H22ClN5O3/c1-14-12-18(13-29(3)24(14)32)30-22(16-7-9-17(26)10-8-16)21-20(25(30)33)15(2)31(28-21)19-6-5-11-27-23(19)34-4/h5-13,22H,1-4H3/t22-/m1/s1
PDB

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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 US9714249 (2017)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM264456
PNG
(6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-1,6-dihyd...)
Show SMILES COc1ncc(NC2=C(C(C)=N)C(=O)N(C2c2ccc(Cl)cc2)c2cc(C)c(=O)n(C)c2)cn1
Show InChI InChI=1S/C24H23ClN6O3/c1-13-9-18(12-30(3)22(13)32)31-21(15-5-7-16(25)8-6-15)20(19(14(2)26)23(31)33)29-17-10-27-24(34-4)28-11-17/h5-12,21,26,29H,1-4H3
PDB

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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 US9714249 (2017)

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


(Homo sapiens (Human))
BDBM264459
PNG
(6-(4-chlorophenyl)-3-cyclopropyl-5-(1,5-dimethyl-6...)
Show SMILES Cc1cc(cn(C)c1=O)N1C(c2[nH]nc(C3CC3)c2C1=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H19ClN4O2/c1-11-9-15(10-25(2)20(11)27)26-19(13-5-7-14(22)8-6-13)18-16(21(26)28)17(23-24-18)12-3-4-12/h5-10,12,19H,3-4H2,1-2H3,(H,23,24)
PDB

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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 US9714249 (2017)

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


(Homo sapiens (Human))
BDBM264444
PNG
(6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-1,6-dihyd...)
Show SMILES CC(C)n1nc(C)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C22H23ClN4O2/c1-12(2)27-20-18(14(4)24-27)22(29)26(17-10-13(3)21(28)25(5)11-17)19(20)15-6-8-16(23)9-7-15/h6-12,19H,1-5H3
PDB

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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 US9714249 (2017)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM264448
PNG
((R)-6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-1,6-d...)
Show SMILES COc1ncccc1-c1nn(C)c2[C@H](N(C(=O)c12)c1cc(C)c(=O)n(C)c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H22ClN5O3/c1-14-12-17(13-29(2)24(14)32)31-21(15-7-9-16(26)10-8-15)22-19(25(31)33)20(28-30(22)3)18-6-5-11-27-23(18)34-4/h5-13,21H,1-4H3/t21-/m1/s1
PDB

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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 US9714249 (2017)

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


(Homo sapiens (Human))
BDBM264450
PNG
(6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-1,6-dihyd...)
Show SMILES COc1ncccc1-n1nc(C)c2C(=O)N([C@@H](c12)c1ccc(Cl)cc1)c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C25H22ClN5O3/c1-14-12-18(13-29(3)24(14)32)30-21(16-7-9-17(26)10-8-16)22-20(25(30)33)15(2)28-31(22)19-6-5-11-27-23(19)34-4/h5-13,21H,1-4H3/t21-/m1/s1
PDB

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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 US9714249 (2017)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM264448
PNG
((R)-6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-1,6-d...)
Show SMILES COc1ncccc1-c1nn(C)c2[C@H](N(C(=O)c12)c1cc(C)c(=O)n(C)c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H22ClN5O3/c1-14-12-17(13-29(2)24(14)32)31-21(15-7-9-16(26)10-8-15)22-19(25(31)33)20(28-30(22)3)18-6-5-11-27-23(18)34-4/h5-13,21H,1-4H3/t21-/m1/s1
PDB

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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 US9714249 (2017)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM264455
PNG
(6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-1,6-dihyd...)
Show SMILES COc1ccc(cn1)-n1nc(C)c2C(=O)N([C@@H](c12)c1ccc(Cl)cc1)c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C25H22ClN5O3/c1-14-11-19(13-29(3)24(14)32)30-22(16-5-7-17(26)8-6-16)23-21(25(30)33)15(2)28-31(23)18-9-10-20(34-4)27-12-18/h5-13,22H,1-4H3/t22-/m1/s1
PDB

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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 US9714249 (2017)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM264450
PNG
(6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-1,6-dihyd...)
Show SMILES COc1ncccc1-n1nc(C)c2C(=O)N([C@@H](c12)c1ccc(Cl)cc1)c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C25H22ClN5O3/c1-14-12-18(13-29(3)24(14)32)30-21(16-7-9-17(26)10-8-16)22-20(25(30)33)15(2)28-31(22)19-6-5-11-27-23(19)34-4/h5-13,21H,1-4H3/t21-/m1/s1
PDB

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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 US9714249 (2017)

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


(Homo sapiens (Human))
BDBM264454
PNG
(6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-1,6-dihyd...)
Show SMILES COc1ccc(cn1)-n1nc(C)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C25H22ClN5O3/c1-14-11-19(13-29(3)24(14)32)30-22(16-5-7-17(26)8-6-16)23-21(25(30)33)15(2)28-31(23)18-9-10-20(34-4)27-12-18/h5-13,22H,1-4H3
PDB

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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 US9714249 (2017)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM264442
PNG
(6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-1,6-dihyd...)
Show SMILES Cc1nn(C)c2C(N(C(=O)c12)c1cc(C)c(=O)n(C)c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H19ClN4O2/c1-11-9-15(10-23(3)19(11)26)25-17(13-5-7-14(21)8-6-13)18-16(20(25)27)12(2)22-24(18)4/h5-10,17H,1-4H3
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n/an/a 62n/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 4


(Homo sapiens (Human))
BDBM264454
PNG
(6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-1,6-dihyd...)
Show SMILES COc1ccc(cn1)-n1nc(C)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C25H22ClN5O3/c1-14-11-19(13-29(3)24(14)32)30-22(16-5-7-17(26)8-6-16)23-21(25(30)33)15(2)28-31(23)18-9-10-20(34-4)27-12-18/h5-13,22H,1-4H3
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n/an/a 62n/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 3


(Homo sapiens (Human))
BDBM264451
PNG
(6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-1,6-dihyd...)
Show SMILES CCOc1ncccc1-n1nc(C)c2C(=O)N(C(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
PDB

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n/an/a 62n/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 4


(Homo sapiens (Human))
BDBM264447
PNG
(6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-1,6-dihyd...)
Show SMILES COc1ncccc1-c1nn(C)c2C(N(C(=O)c12)c1cc(C)c(=O)n(C)c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H22ClN5O3/c1-14-12-17(13-29(2)24(14)32)31-21(15-7-9-16(26)10-8-15)22-19(25(31)33)20(28-30(22)3)18-6-5-11-27-23(18)34-4/h5-13,21H,1-4H3
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n/an/a 62.5n/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))
BDBM264456
PNG
(6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-1,6-dihyd...)
Show SMILES COc1ncc(NC2=C(C(C)=N)C(=O)N(C2c2ccc(Cl)cc2)c2cc(C)c(=O)n(C)c2)cn1
Show InChI InChI=1S/C24H23ClN6O3/c1-13-9-18(12-30(3)22(13)32)31-21(15-5-7-16(25)8-6-15)20(19(14(2)26)23(31)33)29-17-10-27-24(34-4)28-11-17/h5-12,21,26,29H,1-4H3
PDB

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n/an/a 63n/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 3


(Homo sapiens (Human))
BDBM264449
PNG
(6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-1,6-dihyd...)
Show SMILES COc1ncccc1-n1nc(C)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C25H22ClN5O3/c1-14-12-18(13-29(3)24(14)32)30-21(16-7-9-17(26)10-8-16)22-20(25(30)33)15(2)28-31(22)19-6-5-11-27-23(19)34-4/h5-13,21H,1-4H3
PDB

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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 US9714249 (2017)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM264450
PNG
(6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-1,6-dihyd...)
Show SMILES COc1ncccc1-n1nc(C)c2C(=O)N([C@@H](c12)c1ccc(Cl)cc1)c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C25H22ClN5O3/c1-14-12-18(13-29(3)24(14)32)30-21(16-7-9-17(26)10-8-16)22-20(25(30)33)15(2)28-31(22)19-6-5-11-27-23(19)34-4/h5-13,21H,1-4H3/t21-/m1/s1
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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 US9714249 (2017)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM264437
PNG
(5-(5-chloro-1-methyl-6-oxo-1,6-dihydropyridin-3-yl...)
Show SMILES COc1ncccc1-n1nc(C)c2C(=O)N(C(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
PDB

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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 US9714249 (2017)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM264447
PNG
(6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-1,6-dihyd...)
Show SMILES COc1ncccc1-c1nn(C)c2C(N(C(=O)c12)c1cc(C)c(=O)n(C)c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H22ClN5O3/c1-14-12-17(13-29(2)24(14)32)31-21(15-7-9-16(26)10-8-15)22-19(25(31)33)20(28-30(22)3)18-6-5-11-27-23(18)34-4/h5-13,21H,1-4H3
PDB

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n/an/a 65.5n/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 3


(Homo sapiens (Human))
BDBM264441
PNG
(6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-1,6-dihyd...)
Show SMILES Cc1[nH]nc2C(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)
PDB

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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 US9714249 (2017)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM264444
PNG
(6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-1,6-dihyd...)
Show SMILES CC(C)n1nc(C)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C22H23ClN4O2/c1-12(2)27-20-18(14(4)24-27)22(29)26(17-10-13(3)21(28)25(5)11-17)19(20)15-6-8-16(23)9-7-15/h6-12,19H,1-5H3
PDB

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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 US9714249 (2017)

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


(Homo sapiens (Human))
BDBM264451
PNG
(6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-1,6-dihyd...)
Show SMILES CCOc1ncccc1-n1nc(C)c2C(=O)N(C(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
PDB

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n/an/a 68n/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 3


(Homo sapiens (Human))
BDBM264464
PNG
((R)-5-(5-chloro-1-methyl-6-oxo-1,6-dihydropyridin-...)
Show SMILES Cc1[nH]nc2[C@H](N(C(=O)c12)c1cc(Cl)c(=O)n(C)c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H14Cl2N4O2/c1-9-14-15(22-21-9)16(10-3-5-11(19)6-4-10)24(18(14)26)12-7-13(20)17(25)23(2)8-12/h3-8,16H,1-2H3,(H,21,22)/t16-/m1/s1
PDB

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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 US9714249 (2017)

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


(Homo sapiens (Human))
BDBM264447
PNG
(6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-1,6-dihyd...)
Show SMILES COc1ncccc1-c1nn(C)c2C(N(C(=O)c12)c1cc(C)c(=O)n(C)c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H22ClN5O3/c1-14-12-17(13-29(2)24(14)32)31-21(15-7-9-16(26)10-8-15)22-19(25(31)33)20(28-30(22)3)18-6-5-11-27-23(18)34-4/h5-13,21H,1-4H3
PDB

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n/an/a 70n/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 4


(Homo sapiens (Human))
BDBM264456
PNG
(6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-1,6-dihyd...)
Show SMILES COc1ncc(NC2=C(C(C)=N)C(=O)N(C2c2ccc(Cl)cc2)c2cc(C)c(=O)n(C)c2)cn1
Show InChI InChI=1S/C24H23ClN6O3/c1-13-9-18(12-30(3)22(13)32)31-21(15-5-7-16(25)8-6-15)20(19(14(2)26)23(31)33)29-17-10-27-24(34-4)28-11-17/h5-12,21,26,29H,1-4H3
PDB

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n/an/a 71n/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))
BDBM264441
PNG
(6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-1,6-dihyd...)
Show SMILES Cc1[nH]nc2C(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)
PDB

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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 US9714249 (2017)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM264460
PNG
((R)-6-(4-chlorophenyl)-3-cyclopropyl-5-(1,5-dimeth...)
Show SMILES Cc1cc(cn(C)c1=O)N1[C@@H](c2[nH]nc(C3CC3)c2C1=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H19ClN4O2/c1-11-9-15(10-25(2)20(11)27)26-19(13-5-7-14(22)8-6-13)18-16(21(26)28)17(23-24-18)12-3-4-12/h5-10,12,19H,3-4H2,1-2H3,(H,23,24)/t19-/m1/s1
PDB

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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 US9714249 (2017)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM264453
PNG
(6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-1,6-dihyd...)
Show SMILES Cc1nn(c2C(N(C(=O)c12)c1cc(C)c(=O)n(C)c1)c1ccc(Cl)cc1)-c1cccnc1F
Show InChI InChI=1S/C24H19ClFN5O2/c1-13-11-17(12-29(3)23(13)32)30-20(15-6-8-16(25)9-7-15)21-19(24(30)33)14(2)28-31(21)18-5-4-10-27-22(18)26/h4-12,20H,1-3H3
PDB

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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 US9714249 (2017)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM264446
PNG
(6-(4-chlorophenyl)-2-(2,4-dimethoxypyrimidin-5-yl)...)
Show SMILES COc1ncc(c(OC)n1)-n1nc2C(N(C(=O)c2c1C)c1cc(C)c(=O)n(C)c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H23ClN6O4/c1-13-10-17(12-30(3)23(13)33)31-21(15-6-8-16(26)9-7-15)20-19(24(31)34)14(2)32(29-20)18-11-27-25(36-5)28-22(18)35-4/h6-12,21H,1-5H3
PDB

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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 US9714249 (2017)

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


(Homo sapiens (Human))
BDBM264460
PNG
((R)-6-(4-chlorophenyl)-3-cyclopropyl-5-(1,5-dimeth...)
Show SMILES Cc1cc(cn(C)c1=O)N1[C@@H](c2[nH]nc(C3CC3)c2C1=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H19ClN4O2/c1-11-9-15(10-25(2)20(11)27)26-19(13-5-7-14(22)8-6-13)18-16(21(26)28)17(23-24-18)12-3-4-12/h5-10,12,19H,3-4H2,1-2H3,(H,23,24)/t19-/m1/s1
PDB

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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 US9714249 (2017)

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


(Homo sapiens (Human))
BDBM264435
PNG
(6-(4-chlorophenyl)-3-cyclopropyl-5-(1,5-dimethyl-6...)
Show SMILES Cc1cc(cn(C)c1=O)N1C(C(Nc2ccnn2C)=C(C(=N)C2CC2)C1=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H25ClN6O2/c1-14-12-18(13-30(2)24(14)33)32-23(16-6-8-17(26)9-7-16)22(29-19-10-11-28-31(19)3)20(25(32)34)21(27)15-4-5-15/h6-13,15,23,27,29H,4-5H2,1-3H3
PDB

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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 US9714249 (2017)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM264445
PNG
(6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-1,6-dihyd...)
Show SMILES COc1ccc(cc1)-n1nc(C)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C26H23ClN4O3/c1-15-13-20(14-29(3)25(15)32)30-23(17-5-7-18(27)8-6-17)24-22(26(30)33)16(2)28-31(24)19-9-11-21(34-4)12-10-19/h5-14,23H,1-4H3
PDB

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n/an/a 75.5n/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))
BDBM264437
PNG
(5-(5-chloro-1-methyl-6-oxo-1,6-dihydropyridin-3-yl...)
Show SMILES COc1ncccc1-n1nc(C)c2C(=O)N(C(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
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n/an/a 76n/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))
BDBM264449
PNG
(6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-1,6-dihyd...)
Show SMILES COc1ncccc1-n1nc(C)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C25H22ClN5O3/c1-14-12-18(13-29(3)24(14)32)30-21(16-7-9-17(26)10-8-16)22-20(25(30)33)15(2)28-31(22)19-6-5-11-27-23(19)34-4/h5-13,21H,1-4H3
PDB

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n/an/a 78n/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 4


(Homo sapiens (Human))
BDBM264451
PNG
(6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-1,6-dihyd...)
Show SMILES CCOc1ncccc1-n1nc(C)c2C(=O)N(C(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
PDB

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n/an/a 79n/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))
BDBM264453
PNG
(6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-1,6-dihyd...)
Show SMILES Cc1nn(c2C(N(C(=O)c12)c1cc(C)c(=O)n(C)c1)c1ccc(Cl)cc1)-c1cccnc1F
Show InChI InChI=1S/C24H19ClFN5O2/c1-13-11-17(12-29(3)23(13)32)30-20(15-6-8-16(25)9-7-15)21-19(24(30)33)14(2)28-31(21)18-5-4-10-27-22(18)26/h4-12,20H,1-3H3
PDB

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n/an/a 80n/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 3


(Homo sapiens (Human))
BDBM264436
PNG
(5-(5-chloro-1-methyl-6-oxo-1,6-dihydropyridin-3-yl...)
Show SMILES Cc1[nH]nc2C(N(C(=O)c12)c1cc(Cl)c(=O)n(C)c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H14Cl2N4O2/c1-9-14-15(22-21-9)16(10-3-5-11(19)6-4-10)24(18(14)26)12-7-13(20)17(25)23(2)8-12/h3-8,16H,1-2H3,(H,21,22)
PDB

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n/an/a 80n/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 3


(Homo sapiens (Human))
BDBM264435
PNG
(6-(4-chlorophenyl)-3-cyclopropyl-5-(1,5-dimethyl-6...)
Show SMILES Cc1cc(cn(C)c1=O)N1C(C(Nc2ccnn2C)=C(C(=N)C2CC2)C1=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H25ClN6O2/c1-14-12-18(13-30(2)24(14)33)32-23(16-6-8-17(26)9-7-16)22(29-19-10-11-28-31(19)3)20(25(32)34)21(27)15-4-5-15/h6-13,15,23,27,29H,4-5H2,1-3H3
PDB

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n/an/a 82n/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))
BDBM264442
PNG
(6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-1,6-dihyd...)
Show SMILES Cc1nn(C)c2C(N(C(=O)c12)c1cc(C)c(=O)n(C)c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H19ClN4O2/c1-11-9-15(10-23(3)19(11)26)25-17(13-5-7-14(21)8-6-13)18-16(20(25)27)12(2)22-24(18)4/h5-10,17H,1-4H3
PDB

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n/an/a 84n/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 4


(Homo sapiens (Human))
BDBM264449
PNG
(6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-1,6-dihyd...)
Show SMILES COc1ncccc1-n1nc(C)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C25H22ClN5O3/c1-14-12-18(13-29(3)24(14)32)30-21(16-7-9-17(26)10-8-16)22-20(25(30)33)15(2)28-31(22)19-6-5-11-27-23(19)34-4/h5-13,21H,1-4H3
PDB

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n/an/a 86n/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 4


(Homo sapiens (Human))
BDBM264442
PNG
(6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-1,6-dihyd...)
Show SMILES Cc1nn(C)c2C(N(C(=O)c12)c1cc(C)c(=O)n(C)c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H19ClN4O2/c1-11-9-15(10-23(3)19(11)26)25-17(13-5-7-14(21)8-6-13)18-16(20(25)27)12(2)22-24(18)4/h5-10,17H,1-4H3
PDB

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n/an/a 89n/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 3


(Homo sapiens (Human))
BDBM264458
PNG
((R)-6-(4-chlorophenyl)-3-cyclopropyl-5-(1,5-dimeth...)
Show SMILES Cc1cc(cn(C)c1=O)N1[C@@H](c2c(C1=O)c(nn2-c1ccnn1C)C1CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H23ClN6O2/c1-14-12-18(13-29(2)24(14)33)31-22(16-6-8-17(26)9-7-16)23-20(25(31)34)21(15-4-5-15)28-32(23)19-10-11-27-30(19)3/h6-13,15,22H,4-5H2,1-3H3/t22-/m1/s1
PDB

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n/an/a 89n/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 4


(Homo sapiens (Human))
BDBM264441
PNG
(6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-1,6-dihyd...)
Show SMILES Cc1[nH]nc2C(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)
PDB

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n/an/a 90n/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 4


(Homo sapiens (Human))
BDBM264462
PNG
((R)-6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-1,6-d...)
Show SMILES COc1ncccc1-n1nc2[C@H](N(C(=O)c2c1C)c1cc(C)c(=O)n(C)c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H22ClN5O3/c1-14-12-18(13-29(3)24(14)32)30-22(16-7-9-17(26)10-8-16)21-20(25(30)33)15(2)31(28-21)19-6-5-11-27-23(19)34-4/h5-13,22H,1-4H3/t22-/m1/s1
PDB

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n/an/a 91n/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 3


(Homo sapiens (Human))
BDBM264457
PNG
(6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-1,6-dihyd...)
Show SMILES COc1ncc(cn1)-n1nc(C)c2C(=O)N([C@@H](c12)c1ccc(Cl)cc1)c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C24H21ClN6O3/c1-13-9-17(12-29(3)22(13)32)30-20(15-5-7-16(25)8-6-15)21-19(23(30)33)14(2)28-31(21)18-10-26-24(34-4)27-11-18/h5-12,20H,1-4H3/t20-/m1/s1
PDB

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n/an/a 94n/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))
BDBM264446
PNG
(6-(4-chlorophenyl)-2-(2,4-dimethoxypyrimidin-5-yl)...)
Show SMILES COc1ncc(c(OC)n1)-n1nc2C(N(C(=O)c2c1C)c1cc(C)c(=O)n(C)c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H23ClN6O4/c1-13-10-17(12-30(3)23(13)33)31-21(15-6-8-16(26)9-7-15)20-19(24(31)34)14(2)32(29-20)18-11-27-25(36-5)28-22(18)35-4/h6-12,21H,1-5H3
PDB

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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 US9714249 (2017)

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


(Homo sapiens (Human))
BDBM264436
PNG
(5-(5-chloro-1-methyl-6-oxo-1,6-dihydropyridin-3-yl...)
Show SMILES Cc1[nH]nc2C(N(C(=O)c12)c1cc(Cl)c(=O)n(C)c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H14Cl2N4O2/c1-9-14-15(22-21-9)16(10-3-5-11(19)6-4-10)24(18(14)26)12-7-13(20)17(25)23(2)8-12/h3-8,16H,1-2H3,(H,21,22)
PDB

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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 US9714249 (2017)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM264435
PNG
(6-(4-chlorophenyl)-3-cyclopropyl-5-(1,5-dimethyl-6...)
Show SMILES Cc1cc(cn(C)c1=O)N1C(C(Nc2ccnn2C)=C(C(=N)C2CC2)C1=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H25ClN6O2/c1-14-12-18(13-30(2)24(14)33)32-23(16-6-8-17(26)9-7-16)22(29-19-10-11-28-31(19)3)20(25(32)34)21(27)15-4-5-15/h6-13,15,23,27,29H,4-5H2,1-3H3
PDB

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n/an/a 96n/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))
BDBM264445
PNG
(6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-1,6-dihyd...)
Show SMILES COc1ccc(cc1)-n1nc(C)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C26H23ClN4O3/c1-15-13-20(14-29(3)25(15)32)30-23(17-5-7-18(27)8-6-17)24-22(26(30)33)16(2)28-31(24)19-9-11-21(34-4)12-10-19/h5-14,23H,1-4H3
PDB

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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 US9714249 (2017)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM264446
PNG
(6-(4-chlorophenyl)-2-(2,4-dimethoxypyrimidin-5-yl)...)
Show SMILES COc1ncc(c(OC)n1)-n1nc2C(N(C(=O)c2c1C)c1cc(C)c(=O)n(C)c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H23ClN6O4/c1-13-10-17(12-30(3)23(13)33)31-21(15-6-8-16(26)9-7-15)20-19(24(31)34)14(2)32(29-20)18-11-27-25(36-5)28-22(18)35-4/h6-12,21H,1-5H3
PDB

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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 US9714249 (2017)

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


(Homo sapiens (Human))
BDBM264457
PNG
(6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-1,6-dihyd...)
Show SMILES COc1ncc(cn1)-n1nc(C)c2C(=O)N([C@@H](c12)c1ccc(Cl)cc1)c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C24H21ClN6O3/c1-13-9-17(12-29(3)22(13)32)30-20(15-5-7-16(25)8-6-15)21-19(23(30)33)14(2)28-31(21)18-10-26-24(34-4)27-11-18/h5-12,20H,1-4H3/t20-/m1/s1
PDB

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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 US9714249 (2017)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM264453
PNG
(6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-1,6-dihyd...)
Show SMILES Cc1nn(c2C(N(C(=O)c12)c1cc(C)c(=O)n(C)c1)c1ccc(Cl)cc1)-c1cccnc1F
Show InChI InChI=1S/C24H19ClFN5O2/c1-13-11-17(12-29(3)23(13)32)30-20(15-6-8-16(25)9-7-15)21-19(24(30)33)14(2)28-31(21)18-5-4-10-27-22(18)26/h4-12,20H,1-3H3
PDB

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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 US9714249 (2017)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM264445
PNG
(6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-1,6-dihyd...)
Show SMILES COc1ccc(cc1)-n1nc(C)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C26H23ClN4O3/c1-15-13-20(14-29(3)25(15)32)30-23(17-5-7-18(27)8-6-17)24-22(26(30)33)16(2)28-31(24)19-9-11-21(34-4)12-10-19/h5-14,23H,1-4H3
PDB

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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 US9714249 (2017)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM264437
PNG
(5-(5-chloro-1-methyl-6-oxo-1,6-dihydropyridin-3-yl...)
Show SMILES COc1ncccc1-n1nc(C)c2C(=O)N(C(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
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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 US9714249 (2017)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM264457
PNG
(6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-1,6-dihyd...)
Show SMILES COc1ncc(cn1)-n1nc(C)c2C(=O)N([C@@H](c12)c1ccc(Cl)cc1)c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C24H21ClN6O3/c1-13-9-17(12-29(3)22(13)32)30-20(15-5-7-16(25)8-6-15)21-19(23(30)33)14(2)28-31(21)18-10-26-24(34-4)27-11-18/h5-12,20H,1-4H3/t20-/m1/s1
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n/an/a 110n/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))
BDBM264462
PNG
((R)-6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-1,6-d...)
Show SMILES COc1ncccc1-n1nc2[C@H](N(C(=O)c2c1C)c1cc(C)c(=O)n(C)c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H22ClN5O3/c1-14-12-18(13-29(3)24(14)32)30-22(16-7-9-17(26)10-8-16)21-20(25(30)33)15(2)31(28-21)19-6-5-11-27-23(19)34-4/h5-13,22H,1-4H3/t22-/m1/s1
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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 US9714249 (2017)

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


(Homo sapiens (Human))
BDBM264439
PNG
(5-(5-chloro-1-methyl-6-oxo-1,6-dihydropyridin-3-yl...)
Show SMILES COc1ncc(cn1)-n1nc(C)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(Cl)c(=O)n(C)c1
Show InChI InChI=1S/C23H18Cl2N6O3/c1-12-18-20(31(28-12)16-9-26-23(34-3)27-10-16)19(13-4-6-14(24)7-5-13)30(22(18)33)15-8-17(25)21(32)29(2)11-15/h4-11,19H,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 US9714249 (2017)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM264436
PNG
(5-(5-chloro-1-methyl-6-oxo-1,6-dihydropyridin-3-yl...)
Show SMILES Cc1[nH]nc2C(N(C(=O)c12)c1cc(Cl)c(=O)n(C)c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H14Cl2N4O2/c1-9-14-15(22-21-9)16(10-3-5-11(19)6-4-10)24(18(14)26)12-7-13(20)17(25)23(2)8-12/h3-8,16H,1-2H3,(H,21,22)
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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 US9714249 (2017)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM264439
PNG
(5-(5-chloro-1-methyl-6-oxo-1,6-dihydropyridin-3-yl...)
Show SMILES COc1ncc(cn1)-n1nc(C)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(Cl)c(=O)n(C)c1
Show InChI InChI=1S/C23H18Cl2N6O3/c1-12-18-20(31(28-12)16-9-26-23(34-3)27-10-16)19(13-4-6-14(24)7-5-13)30(22(18)33)15-8-17(25)21(32)29(2)11-15/h4-11,19H,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 US9714249 (2017)

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


(Homo sapiens (Human))
BDBM264450
PNG
(6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-1,6-dihyd...)
Show SMILES COc1ncccc1-n1nc(C)c2C(=O)N([C@@H](c12)c1ccc(Cl)cc1)c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C25H22ClN5O3/c1-14-12-18(13-29(3)24(14)32)30-21(16-7-9-17(26)10-8-16)22-20(25(30)33)15(2)28-31(22)19-6-5-11-27-23(19)34-4/h5-13,21H,1-4H3/t21-/m1/s1
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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 US9714249 (2017)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM264458
PNG
((R)-6-(4-chlorophenyl)-3-cyclopropyl-5-(1,5-dimeth...)
Show SMILES Cc1cc(cn(C)c1=O)N1[C@@H](c2c(C1=O)c(nn2-c1ccnn1C)C1CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H23ClN6O2/c1-14-12-18(13-29(2)24(14)33)31-22(16-6-8-17(26)9-7-16)23-20(25(31)34)21(15-4-5-15)28-32(23)19-10-11-27-30(19)3/h6-13,15,22H,4-5H2,1-3H3/t22-/m1/s1
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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 US9714249 (2017)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM264440
PNG
(5-(5-chloro-1-methyl-6-oxo-1,6-dihydropyridin-3-yl...)
Show SMILES COc1ncc(cn1)-n1nc(C)c2C(=O)N([C@@H](c12)c1ccc(Cl)cc1)c1cc(Cl)c(=O)n(C)c1
Show InChI InChI=1S/C23H18Cl2N6O3/c1-12-18-20(31(28-12)16-9-26-23(34-3)27-10-16)19(13-4-6-14(24)7-5-13)30(22(18)33)15-8-17(25)21(32)29(2)11-15/h4-11,19H,1-3H3/t19-/m1/s1
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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 US9714249 (2017)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM264450
PNG
(6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-1,6-dihyd...)
Show SMILES COc1ncccc1-n1nc(C)c2C(=O)N([C@@H](c12)c1ccc(Cl)cc1)c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C25H22ClN5O3/c1-14-12-18(13-29(3)24(14)32)30-21(16-7-9-17(26)10-8-16)22-20(25(30)33)15(2)28-31(22)19-6-5-11-27-23(19)34-4/h5-13,21H,1-4H3/t21-/m1/s1
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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 US9714249 (2017)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM264464
PNG
((R)-5-(5-chloro-1-methyl-6-oxo-1,6-dihydropyridin-...)
Show SMILES Cc1[nH]nc2[C@H](N(C(=O)c12)c1cc(Cl)c(=O)n(C)c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H14Cl2N4O2/c1-9-14-15(22-21-9)16(10-3-5-11(19)6-4-10)24(18(14)26)12-7-13(20)17(25)23(2)8-12/h3-8,16H,1-2H3,(H,21,22)/t16-/m1/s1
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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 US9714249 (2017)

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


(Homo sapiens (Human))
BDBM264458
PNG
((R)-6-(4-chlorophenyl)-3-cyclopropyl-5-(1,5-dimeth...)
Show SMILES Cc1cc(cn(C)c1=O)N1[C@@H](c2c(C1=O)c(nn2-c1ccnn1C)C1CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H23ClN6O2/c1-14-12-18(13-29(2)24(14)33)31-22(16-6-8-17(26)9-7-16)23-20(25(31)34)21(15-4-5-15)28-32(23)19-10-11-27-30(19)3/h6-13,15,22H,4-5H2,1-3H3/t22-/m1/s1
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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 US9714249 (2017)

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


(Homo sapiens (Human))
BDBM264440
PNG
(5-(5-chloro-1-methyl-6-oxo-1,6-dihydropyridin-3-yl...)
Show SMILES COc1ncc(cn1)-n1nc(C)c2C(=O)N([C@@H](c12)c1ccc(Cl)cc1)c1cc(Cl)c(=O)n(C)c1
Show InChI InChI=1S/C23H18Cl2N6O3/c1-12-18-20(31(28-12)16-9-26-23(34-3)27-10-16)19(13-4-6-14(24)7-5-13)30(22(18)33)15-8-17(25)21(32)29(2)11-15/h4-11,19H,1-3H3/t19-/m1/s1
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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 US9714249 (2017)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM264439
PNG
(5-(5-chloro-1-methyl-6-oxo-1,6-dihydropyridin-3-yl...)
Show SMILES COc1ncc(cn1)-n1nc(C)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(Cl)c(=O)n(C)c1
Show InChI InChI=1S/C23H18Cl2N6O3/c1-12-18-20(31(28-12)16-9-26-23(34-3)27-10-16)19(13-4-6-14(24)7-5-13)30(22(18)33)15-8-17(25)21(32)29(2)11-15/h4-11,19H,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 US9714249 (2017)

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


(Homo sapiens (Human))
BDBM264464
PNG
((R)-5-(5-chloro-1-methyl-6-oxo-1,6-dihydropyridin-...)
Show SMILES Cc1[nH]nc2[C@H](N(C(=O)c12)c1cc(Cl)c(=O)n(C)c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H14Cl2N4O2/c1-9-14-15(22-21-9)16(10-3-5-11(19)6-4-10)24(18(14)26)12-7-13(20)17(25)23(2)8-12/h3-8,16H,1-2H3,(H,21,22)/t16-/m1/s1
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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 US9714249 (2017)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM264440
PNG
(5-(5-chloro-1-methyl-6-oxo-1,6-dihydropyridin-3-yl...)
Show SMILES COc1ncc(cn1)-n1nc(C)c2C(=O)N([C@@H](c12)c1ccc(Cl)cc1)c1cc(Cl)c(=O)n(C)c1
Show InChI InChI=1S/C23H18Cl2N6O3/c1-12-18-20(31(28-12)16-9-26-23(34-3)27-10-16)19(13-4-6-14(24)7-5-13)30(22(18)33)15-8-17(25)21(32)29(2)11-15/h4-11,19H,1-3H3/t19-/m1/s1
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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 US9714249 (2017)

More data for this
Ligand-Target Pair
CREB-binding protein/p53


(Homo sapiens (human))
BDBM264448
PNG
((R)-6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-1,6-d...)
Show SMILES COc1ncccc1-c1nn(C)c2[C@H](N(C(=O)c12)c1cc(C)c(=O)n(C)c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H22ClN5O3/c1-14-12-17(13-29(2)24(14)32)31-21(15-7-9-16(26)10-8-15)22-19(25(31)33)20(28-30(22)3)18-6-5-11-27-23(18)34-4/h5-13,21H,1-4H3/t21-/m1/s1
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Novartis AG

US Patent


Assay Description
In order to assess bromodomain selectivity, we set up a binding assay using the bromodomain encoded by the CREBBP gene. Compounds were tested in the ...


US Patent US9714249 (2017)

More data for this
Ligand-Target Pair
CREB-binding protein/p53


(Homo sapiens (human))
BDBM264462
PNG
((R)-6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-1,6-d...)
Show SMILES COc1ncccc1-n1nc2[C@H](N(C(=O)c2c1C)c1cc(C)c(=O)n(C)c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H22ClN5O3/c1-14-12-18(13-29(3)24(14)32)30-22(16-7-9-17(26)10-8-16)21-20(25(30)33)15(2)31(28-21)19-6-5-11-27-23(19)34-4/h5-13,22H,1-4H3/t22-/m1/s1
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Novartis AG

US Patent


Assay Description
In order to assess bromodomain selectivity, we set up a binding assay using the bromodomain encoded by the CREBBP gene. Compounds were tested in the ...


US Patent US9714249 (2017)

More data for this
Ligand-Target Pair
CREB-binding protein/p53


(Homo sapiens (human))
BDBM264447
PNG
(6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-1,6-dihyd...)
Show SMILES COc1ncccc1-c1nn(C)c2C(N(C(=O)c12)c1cc(C)c(=O)n(C)c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H22ClN5O3/c1-14-12-17(13-29(2)24(14)32)31-21(15-7-9-16(26)10-8-15)22-19(25(31)33)20(28-30(22)3)18-6-5-11-27-23(18)34-4/h5-13,21H,1-4H3
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Novartis AG

US Patent


Assay Description
In order to assess bromodomain selectivity, we set up a binding assay using the bromodomain encoded by the CREBBP gene. Compounds were tested in the ...


US Patent US9714249 (2017)

More data for this
Ligand-Target Pair
CREB-binding protein/p53


(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
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Novartis AG

US Patent


Assay Description
In order to assess bromodomain selectivity, we set up a binding assay using the bromodomain encoded by the CREBBP gene. Compounds were tested in the ...


US Patent US9714249 (2017)

More data for this
Ligand-Target Pair
CREB-binding protein/p53


(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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Novartis AG

US Patent


Assay Description
In order to assess bromodomain selectivity, we set up a binding assay using the bromodomain encoded by the CREBBP gene. Compounds were tested in the ...


US Patent US9714249 (2017)

More data for this
Ligand-Target Pair
CREB-binding protein/p53


(Homo sapiens (human))
BDBM264450
PNG
(6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-1,6-dihyd...)
Show SMILES COc1ncccc1-n1nc(C)c2C(=O)N([C@@H](c12)c1ccc(Cl)cc1)c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C25H22ClN5O3/c1-14-12-18(13-29(3)24(14)32)30-21(16-7-9-17(26)10-8-16)22-20(25(30)33)15(2)28-31(22)19-6-5-11-27-23(19)34-4/h5-13,21H,1-4H3/t21-/m1/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
In order to assess bromodomain selectivity, we set up a binding assay using the bromodomain encoded by the CREBBP gene. Compounds were tested in the ...


US Patent US9714249 (2017)

More data for this
Ligand-Target Pair
CREB-binding protein/p53


(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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Novartis AG

US Patent


Assay Description
In order to assess bromodomain selectivity, we set up a binding assay using the bromodomain encoded by the CREBBP gene. Compounds were tested in the ...


US Patent US9714249 (2017)

More data for this
Ligand-Target Pair
CREB-binding protein/p53


(Homo sapiens (human))
BDBM264444
PNG
(6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-1,6-dihyd...)
Show SMILES CC(C)n1nc(C)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C22H23ClN4O2/c1-12(2)27-20-18(14(4)24-27)22(29)26(17-10-13(3)21(28)25(5)11-17)19(20)15-6-8-16(23)9-7-15/h6-12,19H,1-5H3
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Novartis AG

US Patent


Assay Description
In order to assess bromodomain selectivity, we set up a binding assay using the bromodomain encoded by the CREBBP gene. Compounds were tested in the ...


US Patent US9714249 (2017)

More data for this
Ligand-Target Pair
CREB-binding protein/p53


(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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Novartis AG

US Patent


Assay Description
In order to assess bromodomain selectivity, we set up a binding assay using the bromodomain encoded by the CREBBP gene. Compounds were tested in the ...


US Patent US9714249 (2017)

More data for this
Ligand-Target Pair
CREB-binding protein/p53


(Homo sapiens (human))
BDBM264460
PNG
((R)-6-(4-chlorophenyl)-3-cyclopropyl-5-(1,5-dimeth...)
Show SMILES Cc1cc(cn(C)c1=O)N1[C@@H](c2[nH]nc(C3CC3)c2C1=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H19ClN4O2/c1-11-9-15(10-25(2)20(11)27)26-19(13-5-7-14(22)8-6-13)18-16(21(26)28)17(23-24-18)12-3-4-12/h5-10,12,19H,3-4H2,1-2H3,(H,23,24)/t19-/m1/s1
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n/an/a 1.70E+3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
In order to assess bromodomain selectivity, we set up a binding assay using the bromodomain encoded by the CREBBP gene. Compounds were tested in the ...


US Patent US9714249 (2017)

More data for this
Ligand-Target Pair
CREB-binding protein/p53


(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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Novartis AG

US Patent


Assay Description
In order to assess bromodomain selectivity, we set up a binding assay using the bromodomain encoded by the CREBBP gene. Compounds were tested in the ...


US Patent US9714249 (2017)

More data for this
Ligand-Target Pair
CREB-binding protein/p53


(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
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Novartis AG

US Patent


Assay Description
In order to assess bromodomain selectivity, we set up a binding assay using the bromodomain encoded by the CREBBP gene. Compounds were tested in the ...


US Patent US9714249 (2017)

More data for this
Ligand-Target Pair
CREB-binding protein/p53


(Homo sapiens (human))
BDBM264450
PNG
(6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-1,6-dihyd...)
Show SMILES COc1ncccc1-n1nc(C)c2C(=O)N([C@@H](c12)c1ccc(Cl)cc1)c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C25H22ClN5O3/c1-14-12-18(13-29(3)24(14)32)30-21(16-7-9-17(26)10-8-16)22-20(25(30)33)15(2)28-31(22)19-6-5-11-27-23(19)34-4/h5-13,21H,1-4H3/t21-/m1/s1
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Novartis AG

US Patent


Assay Description
In order to assess bromodomain selectivity, we set up a binding assay using the bromodomain encoded by the CREBBP gene. Compounds were tested in the ...


US Patent US9714249 (2017)

More data for this
Ligand-Target Pair
CREB-binding protein/p53


(Homo sapiens (human))
BDBM264454
PNG
(6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-1,6-dihyd...)
Show SMILES COc1ccc(cn1)-n1nc(C)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C25H22ClN5O3/c1-14-11-19(13-29(3)24(14)32)30-22(16-5-7-17(26)8-6-16)23-21(25(30)33)15(2)28-31(23)18-9-10-20(34-4)27-12-18/h5-13,22H,1-4H3
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Novartis AG

US Patent


Assay Description
In order to assess bromodomain selectivity, we set up a binding assay using the bromodomain encoded by the CREBBP gene. Compounds were tested in the ...


US Patent US9714249 (2017)

More data for this
Ligand-Target Pair
CREB-binding protein/p53


(Homo sapiens (human))
BDBM264464
PNG
((R)-5-(5-chloro-1-methyl-6-oxo-1,6-dihydropyridin-...)
Show SMILES Cc1[nH]nc2[C@H](N(C(=O)c12)c1cc(Cl)c(=O)n(C)c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H14Cl2N4O2/c1-9-14-15(22-21-9)16(10-3-5-11(19)6-4-10)24(18(14)26)12-7-13(20)17(25)23(2)8-12/h3-8,16H,1-2H3,(H,21,22)/t16-/m1/s1
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Novartis AG

US Patent


Assay Description
In order to assess bromodomain selectivity, we set up a binding assay using the bromodomain encoded by the CREBBP gene. Compounds were tested in the ...


US Patent US9714249 (2017)

More data for this
Ligand-Target Pair
CREB-binding protein/p53


(Homo sapiens (human))
BDBM264445
PNG
(6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-1,6-dihyd...)
Show SMILES COc1ccc(cc1)-n1nc(C)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C26H23ClN4O3/c1-15-13-20(14-29(3)25(15)32)30-23(17-5-7-18(27)8-6-17)24-22(26(30)33)16(2)28-31(24)19-9-11-21(34-4)12-10-19/h5-14,23H,1-4H3
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Novartis AG

US Patent


Assay Description
In order to assess bromodomain selectivity, we set up a binding assay using the bromodomain encoded by the CREBBP gene. Compounds were tested in the ...


US Patent US9714249 (2017)

More data for this
Ligand-Target Pair
CREB-binding protein/p53


(Homo sapiens (human))
BDBM264458
PNG
((R)-6-(4-chlorophenyl)-3-cyclopropyl-5-(1,5-dimeth...)
Show SMILES Cc1cc(cn(C)c1=O)N1[C@@H](c2c(C1=O)c(nn2-c1ccnn1C)C1CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H23ClN6O2/c1-14-12-18(13-29(2)24(14)33)31-22(16-6-8-17(26)9-7-16)23-20(25(31)34)21(15-4-5-15)28-32(23)19-10-11-27-30(19)3/h6-13,15,22H,4-5H2,1-3H3/t22-/m1/s1
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Novartis AG

US Patent


Assay Description
In order to assess bromodomain selectivity, we set up a binding assay using the bromodomain encoded by the CREBBP gene. Compounds were tested in the ...


US Patent US9714249 (2017)

More data for this
Ligand-Target Pair
CREB-binding protein/p53


(Homo sapiens (human))
BDBM264455
PNG
(6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-1,6-dihyd...)
Show SMILES COc1ccc(cn1)-n1nc(C)c2C(=O)N([C@@H](c12)c1ccc(Cl)cc1)c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C25H22ClN5O3/c1-14-11-19(13-29(3)24(14)32)30-22(16-5-7-17(26)8-6-16)23-21(25(30)33)15(2)28-31(23)18-9-10-20(34-4)27-12-18/h5-13,22H,1-4H3/t22-/m1/s1
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Novartis AG

US Patent


Assay Description
In order to assess bromodomain selectivity, we set up a binding assay using the bromodomain encoded by the CREBBP gene. Compounds were tested in the ...


US Patent US9714249 (2017)

More data for this
Ligand-Target Pair
CREB-binding protein/p53


(Homo sapiens (human))
BDBM264442
PNG
(6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-1,6-dihyd...)
Show SMILES Cc1nn(C)c2C(N(C(=O)c12)c1cc(C)c(=O)n(C)c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H19ClN4O2/c1-11-9-15(10-23(3)19(11)26)25-17(13-5-7-14(21)8-6-13)18-16(20(25)27)12(2)22-24(18)4/h5-10,17H,1-4H3
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Novartis AG

US Patent


Assay Description
In order to assess bromodomain selectivity, we set up a binding assay using the bromodomain encoded by the CREBBP gene. Compounds were tested in the ...


US Patent US9714249 (2017)

More data for this
Ligand-Target Pair
CREB-binding protein/p53


(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
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Novartis AG

US Patent


Assay Description
In order to assess bromodomain selectivity, we set up a binding assay using the bromodomain encoded by the CREBBP gene. Compounds were tested in the ...


US Patent US9714249 (2017)

More data for this
Ligand-Target Pair
CREB-binding protein/p53


(Homo sapiens (human))
BDBM264441
PNG
(6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-1,6-dihyd...)
Show SMILES Cc1[nH]nc2C(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)
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Novartis AG

US Patent


Assay Description
In order to assess bromodomain selectivity, we set up a binding assay using the bromodomain encoded by the CREBBP gene. Compounds were tested in the ...


US Patent US9714249 (2017)

More data for this
Ligand-Target Pair
CREB-binding protein/p53


(Homo sapiens (human))
BDBM264451
PNG
(6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-1,6-dihyd...)
Show SMILES CCOc1ncccc1-n1nc(C)c2C(=O)N(C(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
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Novartis AG

US Patent


Assay Description
In order to assess bromodomain selectivity, we set up a binding assay using the bromodomain encoded by the CREBBP gene. Compounds were tested in the ...


US Patent US9714249 (2017)

More data for this
Ligand-Target Pair
CREB-binding protein/p53


(Homo sapiens (human))
BDBM264459
PNG
(6-(4-chlorophenyl)-3-cyclopropyl-5-(1,5-dimethyl-6...)
Show SMILES Cc1cc(cn(C)c1=O)N1C(c2[nH]nc(C3CC3)c2C1=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H19ClN4O2/c1-11-9-15(10-25(2)20(11)27)26-19(13-5-7-14(22)8-6-13)18-16(21(26)28)17(23-24-18)12-3-4-12/h5-10,12,19H,3-4H2,1-2H3,(H,23,24)
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Novartis AG

US Patent


Assay Description
In order to assess bromodomain selectivity, we set up a binding assay using the bromodomain encoded by the CREBBP gene. Compounds were tested in the ...


US Patent US9714249 (2017)

More data for this
Ligand-Target Pair
CREB-binding protein/p53


(Homo sapiens (human))
BDBM264453
PNG
(6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-1,6-dihyd...)
Show SMILES Cc1nn(c2C(N(C(=O)c12)c1cc(C)c(=O)n(C)c1)c1ccc(Cl)cc1)-c1cccnc1F
Show InChI InChI=1S/C24H19ClFN5O2/c1-13-11-17(12-29(3)23(13)32)30-20(15-6-8-16(25)9-7-15)21-19(24(30)33)14(2)28-31(21)18-5-4-10-27-22(18)26/h4-12,20H,1-3H3
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Novartis AG

US Patent


Assay Description
In order to assess bromodomain selectivity, we set up a binding assay using the bromodomain encoded by the CREBBP gene. Compounds were tested in the ...


US Patent US9714249 (2017)

More data for this
Ligand-Target Pair
CREB-binding protein/p53


(Homo sapiens (human))
BDBM264449
PNG
(6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-1,6-dihyd...)
Show SMILES COc1ncccc1-n1nc(C)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C25H22ClN5O3/c1-14-12-18(13-29(3)24(14)32)30-21(16-7-9-17(26)10-8-16)22-20(25(30)33)15(2)28-31(22)19-6-5-11-27-23(19)34-4/h5-13,21H,1-4H3
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Novartis AG

US Patent


Assay Description
In order to assess bromodomain selectivity, we set up a binding assay using the bromodomain encoded by the CREBBP gene. Compounds were tested in the ...


US Patent US9714249 (2017)

More data for this
Ligand-Target Pair
CREB-binding protein/p53


(Homo sapiens (human))
BDBM264436
PNG
(5-(5-chloro-1-methyl-6-oxo-1,6-dihydropyridin-3-yl...)
Show SMILES Cc1[nH]nc2C(N(C(=O)c12)c1cc(Cl)c(=O)n(C)c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H14Cl2N4O2/c1-9-14-15(22-21-9)16(10-3-5-11(19)6-4-10)24(18(14)26)12-7-13(20)17(25)23(2)8-12/h3-8,16H,1-2H3,(H,21,22)
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n/an/a 4.10E+3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
In order to assess bromodomain selectivity, we set up a binding assay using the bromodomain encoded by the CREBBP gene. Compounds were tested in the ...


US Patent US9714249 (2017)

More data for this
Ligand-Target Pair
CREB-binding protein/p53


(Homo sapiens (human))
BDBM264437
PNG
(5-(5-chloro-1-methyl-6-oxo-1,6-dihydropyridin-3-yl...)
Show SMILES COc1ncccc1-n1nc(C)c2C(=O)N(C(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
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n/an/a 4.40E+3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
In order to assess bromodomain selectivity, we set up a binding assay using the bromodomain encoded by the CREBBP gene. Compounds were tested in the ...


US Patent US9714249 (2017)

More data for this
Ligand-Target Pair
CREB-binding protein/p53


(Homo sapiens (human))
BDBM264457
PNG
(6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-1,6-dihyd...)
Show SMILES COc1ncc(cn1)-n1nc(C)c2C(=O)N([C@@H](c12)c1ccc(Cl)cc1)c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C24H21ClN6O3/c1-13-9-17(12-29(3)22(13)32)30-20(15-5-7-16(25)8-6-15)21-19(23(30)33)14(2)28-31(21)18-10-26-24(34-4)27-11-18/h5-12,20H,1-4H3/t20-/m1/s1
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n/an/a 4.70E+3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
In order to assess bromodomain selectivity, we set up a binding assay using the bromodomain encoded by the CREBBP gene. Compounds were tested in the ...


US Patent US9714249 (2017)

More data for this
Ligand-Target Pair
CREB-binding protein/p53


(Homo sapiens (human))
BDBM264435
PNG
(6-(4-chlorophenyl)-3-cyclopropyl-5-(1,5-dimethyl-6...)
Show SMILES Cc1cc(cn(C)c1=O)N1C(C(Nc2ccnn2C)=C(C(=N)C2CC2)C1=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H25ClN6O2/c1-14-12-18(13-30(2)24(14)33)32-23(16-6-8-17(26)9-7-16)22(29-19-10-11-28-31(19)3)20(25(32)34)21(27)15-4-5-15/h6-13,15,23,27,29H,4-5H2,1-3H3
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n/an/a 5.00E+3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
In order to assess bromodomain selectivity, we set up a binding assay using the bromodomain encoded by the CREBBP gene. Compounds were tested in the ...


US Patent US9714249 (2017)

More data for this
Ligand-Target Pair
CREB-binding protein/p53


(Homo sapiens (human))
BDBM264446
PNG
(6-(4-chlorophenyl)-2-(2,4-dimethoxypyrimidin-5-yl)...)
Show SMILES COc1ncc(c(OC)n1)-n1nc2C(N(C(=O)c2c1C)c1cc(C)c(=O)n(C)c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H23ClN6O4/c1-13-10-17(12-30(3)23(13)33)31-21(15-6-8-16(26)9-7-15)20-19(24(31)34)14(2)32(29-20)18-11-27-25(36-5)28-22(18)35-4/h6-12,21H,1-5H3
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n/an/a 5.10E+3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
In order to assess bromodomain selectivity, we set up a binding assay using the bromodomain encoded by the CREBBP gene. Compounds were tested in the ...


US Patent US9714249 (2017)

More data for this
Ligand-Target Pair
CREB-binding protein/p53


(Homo sapiens (human))
BDBM264440
PNG
(5-(5-chloro-1-methyl-6-oxo-1,6-dihydropyridin-3-yl...)
Show SMILES COc1ncc(cn1)-n1nc(C)c2C(=O)N([C@@H](c12)c1ccc(Cl)cc1)c1cc(Cl)c(=O)n(C)c1
Show InChI InChI=1S/C23H18Cl2N6O3/c1-12-18-20(31(28-12)16-9-26-23(34-3)27-10-16)19(13-4-6-14(24)7-5-13)30(22(18)33)15-8-17(25)21(32)29(2)11-15/h4-11,19H,1-3H3/t19-/m1/s1
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n/an/a 5.40E+3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
In order to assess bromodomain selectivity, we set up a binding assay using the bromodomain encoded by the CREBBP gene. Compounds were tested in the ...


US Patent US9714249 (2017)

More data for this
Ligand-Target Pair
CREB-binding protein/p53


(Homo sapiens (human))
BDBM264456
PNG
(6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-1,6-dihyd...)
Show SMILES COc1ncc(NC2=C(C(C)=N)C(=O)N(C2c2ccc(Cl)cc2)c2cc(C)c(=O)n(C)c2)cn1
Show InChI InChI=1S/C24H23ClN6O3/c1-13-9-18(12-30(3)22(13)32)31-21(15-5-7-16(25)8-6-15)20(19(14(2)26)23(31)33)29-17-10-27-24(34-4)28-11-17/h5-12,21,26,29H,1-4H3
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n/an/a>1.11E+4n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
In order to assess bromodomain selectivity, we set up a binding assay using the bromodomain encoded by the CREBBP gene. Compounds were tested in the ...


US Patent US9714249 (2017)

More data for this
Ligand-Target Pair
CREB-binding protein/p53


(Homo sapiens (human))
BDBM264439
PNG
(5-(5-chloro-1-methyl-6-oxo-1,6-dihydropyridin-3-yl...)
Show SMILES COc1ncc(cn1)-n1nc(C)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(Cl)c(=O)n(C)c1
Show InChI InChI=1S/C23H18Cl2N6O3/c1-12-18-20(31(28-12)16-9-26-23(34-3)27-10-16)19(13-4-6-14(24)7-5-13)30(22(18)33)15-8-17(25)21(32)29(2)11-15/h4-11,19H,1-3H3
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n/an/a>3.70E+4n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
In order to assess bromodomain selectivity, we set up a binding assay using the bromodomain encoded by the CREBBP gene. Compounds were tested in the ...


US Patent US9714249 (2017)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%