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Compile Data Set for Download or QSAR

Found 485 hits Enz. Inhib. hit(s) with Target = 'Bromodomain-containing protein 2 (BRD2)'   
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 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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n/an/a 94n/an/an/an/a7.5n/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
PDB

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n/an/a 76n/an/an/an/a7.5n/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/a7.5n/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))
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
PDB

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n/an/a 120n/an/an/an/a7.5n/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))
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
PDB

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n/an/a 160n/an/an/an/a7.5n/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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n/an/a 72n/an/an/an/a7.5n/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/a7.5n/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/a7.5n/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))
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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n/an/a 52n/an/an/an/a7.5n/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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n/an/a 97n/an/an/an/a7.5n/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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n/an/a 94n/an/an/an/a7.5n/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))
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/a7.5n/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/a7.5n/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/a7.5n/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))
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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n/an/a 53n/an/an/an/a7.5n/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))
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/a7.5n/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))
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 35n/an/an/an/a7.5n/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/a7.5n/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))
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 61n/an/an/an/a7.5n/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 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
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n/an/a 63n/an/an/an/a7.5n/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))
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 100n/an/an/an/a7.5n/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))
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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n/an/a 160n/an/an/an/a7.5n/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))
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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n/an/a 52n/an/an/an/a7.5n/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))
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 74n/an/an/an/a7.5n/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))
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 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))
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
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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n/an/a 170n/an/an/an/a7.5n/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))
BDBM150081
PNG
(US8975417, 141)
Show SMILES CN(C)C(=O)n1nc2C(=O)N(C(c2c1C)c1ccc(Cl)cc1)c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C22H22ClN5O3/c1-12-10-16(11-26(5)20(12)29)27-19(14-6-8-15(23)9-7-14)17-13(2)28(22(31)25(3)4)24-18(17)21(27)30/h6-11,19H,1-5H3
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n/an/a 180n/an/an/an/a7.530



Novartis AG

US Patent


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


US Patent US8975417 (2015)


BindingDB Entry DOI: 10.7270/Q2NK3CRX
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM150082
PNG
(US8975417, 142)
Show SMILES CN(C)C(=O)n1nc(C)c2C(N(C(=O)c12)c1cc(C)c(=O)n(C)c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H22ClN5O3/c1-12-10-16(11-26(5)20(12)29)27-18(14-6-8-15(23)9-7-14)17-13(2)24-28(19(17)21(27)30)22(31)25(3)4/h6-11,18H,1-5H3
PDB

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n/an/a 180n/an/an/an/a7.530



Novartis AG

US Patent


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


US Patent US8975417 (2015)


BindingDB Entry DOI: 10.7270/Q2NK3CRX
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM150083
PNG
(US8975417, 143)
Show SMILES CNC(=O)n1nc(C)c2C(N(C(=O)c12)c1cc(C)c(=O)n(C)c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H20ClN5O3/c1-11-9-15(10-25(4)19(11)28)26-17(13-5-7-14(22)8-6-13)16-12(2)24-27(21(30)23-3)18(16)20(26)29/h5-10,17H,1-4H3,(H,23,30)
PDB

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n/an/a 330n/an/an/an/a7.530



Novartis AG

US Patent


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


US Patent US8975417 (2015)


BindingDB Entry DOI: 10.7270/Q2NK3CRX
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM150084
PNG
(US8975417, 144)
Show SMILES CNC(=O)n1nc2C(=O)N(C(c2c1C)c1ccc(Cl)cc1)c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C21H20ClN5O3/c1-11-9-15(10-25(4)19(11)28)26-18(13-5-7-14(22)8-6-13)16-12(2)27(21(30)23-3)24-17(16)20(26)29/h5-10,18H,1-4H3,(H,23,30)
PDB

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n/an/a 160n/an/an/an/a7.530



Novartis AG

US Patent


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


US Patent US8975417 (2015)


BindingDB Entry DOI: 10.7270/Q2NK3CRX
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM150085
PNG
(US8975417, 145)
Show SMILES CNC(=O)n1nc(C)c2C(N(C(=O)c12)c1cc(C)c2nnc(C)n2c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H20ClN7O2/c1-11-9-16(10-28-13(3)25-26-20(11)28)29-18(14-5-7-15(23)8-6-14)17-12(2)27-30(22(32)24-4)19(17)21(29)31/h5-10,18H,1-4H3,(H,24,32)
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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 US8975417 (2015)


BindingDB Entry DOI: 10.7270/Q2NK3CRX
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM150086
PNG
(US8975417, 146)
Show SMILES CNC(=O)n1nc2C(=O)N(C(c2c1C)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1
Show InChI InChI=1S/C22H20ClN7O2/c1-11-9-16(10-28-13(3)25-26-20(11)28)29-19(14-5-7-15(23)8-6-14)17-12(2)30(22(32)24-4)27-18(17)21(29)31/h5-10,19H,1-4H3,(H,24,32)
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n/an/a 190n/an/an/an/a7.530



Novartis AG

US Patent


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


US Patent US8975417 (2015)


BindingDB Entry DOI: 10.7270/Q2NK3CRX
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM150087
PNG
(US8975417, 147)
Show SMILES CCc1nn(C(=O)N(C)C)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C23H24ClN5O3/c1-6-17-18-19(14-7-9-15(24)10-8-14)28(16-11-13(2)21(30)27(5)12-16)22(31)20(18)29(25-17)23(32)26(3)4/h7-12,19H,6H2,1-5H3
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Novartis AG

US Patent


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


US Patent US8975417 (2015)


BindingDB Entry DOI: 10.7270/Q2NK3CRX
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM150088
PNG
(US8975417, 148)
Show SMILES CCc1c2C(N(C(=O)c2nn1C(=O)N(C)C)c1cc(C)c(=O)n(C)c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H24ClN5O3/c1-6-17-18-19(25-29(17)23(32)26(3)4)22(31)28(16-11-13(2)21(30)27(5)12-16)20(18)14-7-9-15(24)10-8-14/h7-12,20H,6H2,1-5H3
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Novartis AG

US Patent


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


US Patent US8975417 (2015)


BindingDB Entry DOI: 10.7270/Q2NK3CRX
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


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

US Patent


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


US Patent US8975417 (2015)


BindingDB Entry DOI: 10.7270/Q2NK3CRX
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM150136
PNG
(US8975417, 150)
Show SMILES CN(C)C(=O)n1nc2C(=O)N([C@@H](c2c1C)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1
Show InChI InChI=1S/C23H22ClN7O2/c1-12-10-17(11-29-14(3)25-26-21(12)29)30-20(15-6-8-16(24)9-7-15)18-13(2)31(23(33)28(4)5)27-19(18)22(30)32/h6-11,20H,1-5H3/t20-/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 US8975417 (2015)


BindingDB Entry DOI: 10.7270/Q2NK3CRX
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM150089
PNG
(US8975417, 151)
Show SMILES Cc1nn(C2CNC2)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1
Show InChI InChI=1S/C23H22ClN7O/c1-12-8-17(11-29-14(3)26-27-22(12)29)30-20(15-4-6-16(24)7-5-15)19-13(2)28-31(18-9-25-10-18)21(19)23(30)32/h4-8,11,18,20,25H,9-10H2,1-3H3
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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 US8975417 (2015)


BindingDB Entry DOI: 10.7270/Q2NK3CRX
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM150090
PNG
(US8975417, 152)
Show SMILES Cc1nnc2c(C)cc(cn12)N1C(c2c(C)n(nc2C1=O)C1CNC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H22ClN7O/c1-12-8-17(11-29-14(3)26-27-22(12)29)30-21(15-4-6-16(24)7-5-15)19-13(2)31(18-9-25-10-18)28-20(19)23(30)32/h4-8,11,18,21,25H,9-10H2,1-3H3
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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 US8975417 (2015)


BindingDB Entry DOI: 10.7270/Q2NK3CRX
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM150091
PNG
(US8975417, 153)
Show SMILES CC(=O)N1CC(C1)n1nc(C)c2C(N(C(=O)c12)c1cc(C)c(=O)n(C)c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H24ClN5O3/c1-13-9-18(10-27(4)23(13)32)29-21(16-5-7-17(25)8-6-16)20-14(2)26-30(22(20)24(29)33)19-11-28(12-19)15(3)31/h5-10,19,21H,11-12H2,1-4H3
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n/an/a 160n/an/an/an/a7.530



Novartis AG

US Patent


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


US Patent US8975417 (2015)


BindingDB Entry DOI: 10.7270/Q2NK3CRX
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM150092
PNG
(US8975417, 154)
Show SMILES CC(=O)N1CC(C1)n1nc(C)c2C(N(C(=O)c12)c1cc(C)c2nnc(C)n2c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H24ClN7O2/c1-13-9-19(12-31-15(3)27-28-24(13)31)32-22(17-5-7-18(26)8-6-17)21-14(2)29-33(23(21)25(32)35)20-10-30(11-20)16(4)34/h5-9,12,20,22H,10-11H2,1-4H3
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n/an/a 120n/an/an/an/a7.530



Novartis AG

US Patent


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


US Patent US8975417 (2015)


BindingDB Entry DOI: 10.7270/Q2NK3CRX
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM150093
PNG
(US8975417, 155)
Show SMILES CCOC(=O)N1CC(C1)n1nc(C)c2C(N(C(=O)c12)c1cc(C)c(=O)n(C)c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H26ClN5O4/c1-5-35-25(34)29-12-19(13-29)31-22-20(15(3)27-31)21(16-6-8-17(26)9-7-16)30(24(22)33)18-10-14(2)23(32)28(4)11-18/h6-11,19,21H,5,12-13H2,1-4H3
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n/an/a 80n/an/an/an/a7.530



Novartis AG

US Patent


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


US Patent US8975417 (2015)


BindingDB Entry DOI: 10.7270/Q2NK3CRX
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM150094
PNG
(US8975417, 156)
Show SMILES CCOC(=O)N1CC(C1)n1nc(C)c2C(N(C(=O)c12)c1cc(C)c2nnc(C)n2c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H26ClN7O3/c1-5-37-26(36)31-11-20(12-31)34-23-21(15(3)30-34)22(17-6-8-18(27)9-7-17)33(25(23)35)19-10-14(2)24-29-28-16(4)32(24)13-19/h6-10,13,20,22H,5,11-12H2,1-4H3
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n/an/a 59n/an/an/an/a7.530



Novartis AG

US Patent


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


US Patent US8975417 (2015)


BindingDB Entry DOI: 10.7270/Q2NK3CRX
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM150095
PNG
(US8975417, 157)
Show SMILES CN1CC(C1)n1nc(C)c2C(N(C(=O)c12)c1cc(C)c2nnc(C)n2c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H24ClN7O/c1-13-9-18(12-30-15(3)26-27-23(13)30)31-21(16-5-7-17(25)8-6-16)20-14(2)28-32(22(20)24(31)33)19-10-29(4)11-19/h5-9,12,19,21H,10-11H2,1-4H3
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n/an/a 77n/an/an/an/a7.530



Novartis AG

US Patent


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


US Patent US8975417 (2015)


BindingDB Entry DOI: 10.7270/Q2NK3CRX
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM150096
PNG
(US8975417, 158)
Show SMILES CN1CC(C1)n1nc2C(=O)N(C(c2c1C)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1
Show InChI InChI=1S/C24H24ClN7O/c1-13-9-18(12-30-15(3)26-27-23(13)30)31-22(16-5-7-17(25)8-6-16)20-14(2)32(19-10-29(4)11-19)28-21(20)24(31)33/h5-9,12,19,22H,10-11H2,1-4H3
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n/an/a 98n/an/an/an/a7.530



Novartis AG

US Patent


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


US Patent US8975417 (2015)


BindingDB Entry DOI: 10.7270/Q2NK3CRX
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM150129
PNG
(US8975417, 161)
Show SMILES CNc1cc(nn2c(C)nnc12)N1[C@@H](c2c(C)nn(C3CC3)c2C1=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H21ClN8O/c1-11-18-19(13-4-6-14(23)7-5-13)29(22(32)20(18)31(27-11)15-8-9-15)17-10-16(24-3)21-26-25-12(2)30(21)28-17/h4-7,10,15,19,24H,8-9H2,1-3H3/t19-/m1/s1
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n/an/a 33n/an/an/an/a7.530



Novartis AG

US Patent


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


US Patent US8975417 (2015)


BindingDB Entry DOI: 10.7270/Q2NK3CRX
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM150099
PNG
(US8975417, 162)
Show SMILES COCc1nn(C2CC2)c2C(=O)N([C@@H](c12)c1ccc(Cl)cc1)c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C23H23ClN4O3/c1-13-10-17(11-26(2)22(13)29)27-20(14-4-6-15(24)7-5-14)19-18(12-31-3)25-28(16-8-9-16)21(19)23(27)30/h4-7,10-11,16,20H,8-9,12H2,1-3H3/t20-/m1/s1
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n/an/a 39n/an/an/an/a7.530



Novartis AG

US Patent


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


US Patent US8975417 (2015)


BindingDB Entry DOI: 10.7270/Q2NK3CRX
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM150130
PNG
(US8975417, 163)
Show SMILES COCc1nn(C2CC2)c2C(=O)N([C@@H](c12)c1ccc(Cl)cc1)c1cc(N)c2nnc(C)n2c1
Show InChI InChI=1S/C23H22ClN7O2/c1-12-26-27-22-17(25)9-16(10-29(12)22)30-20(13-3-5-14(24)6-4-13)19-18(11-33-2)28-31(15-7-8-15)21(19)23(30)32/h3-6,9-10,15,20H,7-8,11,25H2,1-2H3/t20-/m1/s1
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n/an/a 23n/an/an/an/a7.530



Novartis AG

US Patent


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


US Patent US8975417 (2015)


BindingDB Entry DOI: 10.7270/Q2NK3CRX
More data for this
Ligand-Target Pair
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