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Patent code US9550796

Compile Data Set for Download or QSAR

Found 455 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 4


(Homo sapiens (Human))
BDBM274318
PNG
(6-(4-chlorophenyl)-3-cyclopropyl-2-(3,6-dihydro-2H...)
Show SMILES Cc1nnc2c(C)cc(cn12)N1C(c2c(C1=O)c(C1CC1)c(C1=CCOCC1)n2C)c1ccc(Cl)cc1
Show InChI InChI=1S/C29H28ClN5O2/c1-16-14-22(15-34-17(2)31-32-28(16)34)35-26(19-6-8-21(30)9-7-19)27-24(29(35)36)23(18-4-5-18)25(33(27)3)20-10-12-37-13-11-20/h6-10,14-15,18,26H,4-5,11-13H2,1-3H3
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 US9550796 (2017)

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


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

US Patent


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


US Patent US9550796 (2017)

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


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

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


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

US Patent


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


US Patent US9550796 (2017)

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


(Homo sapiens (Human))
BDBM274297
PNG
(6-(4-chlorophenyl)-5-(1,4-dimethyl-1H-benzo[d][1,2...)
Show SMILES CNC(=O)c1cn(C)c2C(N(C(=O)c12)c1cc(C)c2nnn(C)c2c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H21ClN6O2/c1-12-9-15(10-17-19(12)26-27-29(17)4)30-20(13-5-7-14(24)8-6-13)21-18(23(30)32)16(11-28(21)3)22(31)25-2/h5-11,20H,1-4H3,(H,25,31)
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NOVARTIS AG

US Patent


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


US Patent US9550796 (2017)

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


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

US Patent


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


US Patent US9550796 (2017)

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


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

US Patent


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


US Patent US9550796 (2017)

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


(Homo sapiens (Human))
BDBM274323
PNG
(Ethyl 6-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]tr...)
Show SMILES CCOC(=O)n1c2C(N(C(=O)c2c(C)c1-c1cccnc1OC)c1cc(C)c2nnc(C)n2c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C30H27ClN6O4/c1-6-41-30(39)37-24(22-8-7-13-32-28(22)40-5)17(3)23-26(37)25(19-9-11-20(31)12-10-19)36(29(23)38)21-14-16(2)27-34-33-18(4)35(27)15-21/h7-15,25H,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 US9550796 (2017)

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


(Homo sapiens (Human))
BDBM274318
PNG
(6-(4-chlorophenyl)-3-cyclopropyl-2-(3,6-dihydro-2H...)
Show SMILES Cc1nnc2c(C)cc(cn12)N1C(c2c(C1=O)c(C1CC1)c(C1=CCOCC1)n2C)c1ccc(Cl)cc1
Show InChI InChI=1S/C29H28ClN5O2/c1-16-14-22(15-34-17(2)31-32-28(16)34)35-26(19-6-8-21(30)9-7-19)27-24(29(35)36)23(18-4-5-18)25(33(27)3)20-10-12-37-13-11-20/h6-10,14-15,18,26H,4-5,11-13H2,1-3H3
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NOVARTIS AG

US Patent


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


US Patent US9550796 (2017)

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


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

US Patent


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


US Patent US9550796 (2017)

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


(Homo sapiens (Human))
BDBM274310
PNG
(1-(6-(4-chlorophenyl)-5-(3-(difluoromethyl)-8-meth...)
Show SMILES CNC(=O)Nc1cn(C)c2C(N(C(=O)c12)c1cc(C)c2nnc(C(F)F)n2n1)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H19ClF2N8O2/c1-10-8-14(30-33-19(10)28-29-20(33)18(24)25)32-16(11-4-6-12(23)7-5-11)17-15(21(32)34)13(9-31(17)3)27-22(35)26-2/h4-9,16,18H,1-3H3,(H2,26,27,35)
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NOVARTIS AG

US Patent


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


US Patent US9550796 (2017)

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


(Homo sapiens (Human))
BDBM274319
PNG
(6-(4-chlorophenyl)-3-cyclopropyl-5-(3,8-di methyl-...)
Show SMILES COc1ncccc1-c1c(C2CC2)c2C(=O)N(C(c2n1C)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1
Show InChI InChI=1S/C30H27ClN6O2/c1-16-14-21(15-36-17(2)33-34-28(16)36)37-25(19-9-11-20(31)12-10-19)27-24(30(37)38)23(18-7-8-18)26(35(27)3)22-6-5-13-32-29(22)39-4/h5-6,9-15,18,25H,7-8H2,1-4H3
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 US9550796 (2017)

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


(Homo sapiens (Human))
BDBM274319
PNG
(6-(4-chlorophenyl)-3-cyclopropyl-5-(3,8-di methyl-...)
Show SMILES COc1ncccc1-c1c(C2CC2)c2C(=O)N(C(c2n1C)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1
Show InChI InChI=1S/C30H27ClN6O2/c1-16-14-21(15-36-17(2)33-34-28(16)36)37-25(19-9-11-20(31)12-10-19)27-24(30(37)38)23(18-7-8-18)26(35(27)3)22-6-5-13-32-29(22)39-4/h5-6,9-15,18,25H,7-8H2,1-4H3
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 US9550796 (2017)

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


(Homo sapiens (Human))
BDBM274336
PNG
((R)-6-(4-chlorophenyl)-2-(3,6-dihydro-2H-pyran-4-y...)
Show SMILES Cc1nnc2c(C)cc(cn12)N1[C@H](c2c(cc(C3=CCOCC3)n2C)C1=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H24ClN5O2/c1-15-12-20(14-31-16(2)28-29-25(15)31)32-23(18-4-6-19(27)7-5-18)24-21(26(32)33)13-22(30(24)3)17-8-10-34-11-9-17/h4-8,12-14,23H,9-11H2,1-3H3/t23-/m0/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 US9550796 (2017)

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


(Homo sapiens (Human))
BDBM274322
PNG
(Ethyl 6-(4-chlorophenyl)-2-(3,6-dihydro-2H-pyran-4...)
Show SMILES CCOC(=O)n1c2C(N(C(=O)c2c(C)c1C1=CCOCC1)c1cc(C)c2nnc(C)n2c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C29H28ClN5O4/c1-5-39-29(37)35-24(20-10-12-38-13-11-20)17(3)23-26(35)25(19-6-8-21(30)9-7-19)34(28(23)36)22-14-16(2)27-32-31-18(4)33(27)15-22/h6-10,14-15,25H,5,11-13H2,1-4H3
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 US9550796 (2017)

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


(Homo sapiens (Human))
BDBM274322
PNG
(Ethyl 6-(4-chlorophenyl)-2-(3,6-dihydro-2H-pyran-4...)
Show SMILES CCOC(=O)n1c2C(N(C(=O)c2c(C)c1C1=CCOCC1)c1cc(C)c2nnc(C)n2c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C29H28ClN5O4/c1-5-39-29(37)35-24(20-10-12-38-13-11-20)17(3)23-26(35)25(19-6-8-21(30)9-7-19)34(28(23)36)22-14-16(2)27-32-31-18(4)33(27)15-22/h6-10,14-15,25H,5,11-13H2,1-4H3
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 US9550796 (2017)

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


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

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


(Homo sapiens (Human))
BDBM274297
PNG
(6-(4-chlorophenyl)-5-(1,4-dimethyl-1H-benzo[d][1,2...)
Show SMILES CNC(=O)c1cn(C)c2C(N(C(=O)c12)c1cc(C)c2nnn(C)c2c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H21ClN6O2/c1-12-9-15(10-17-19(12)26-27-29(17)4)30-20(13-5-7-14(24)8-6-13)21-18(23(30)32)16(11-28(21)3)22(31)25-2/h5-11,20H,1-4H3,(H,25,31)
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 US9550796 (2017)

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


(Homo sapiens (Human))
BDBM274321
PNG
(6-(4-chlorophenyl)-3-cyclopropyl-5-(3,8-dimethyl-[...)
Show SMILES Cc1nnc2c(C)cc(cn12)N1C(c2c(C1=O)c(C1CC1)c(C)n2C)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H24ClN5O/c1-13-11-19(12-30-15(3)27-28-24(13)30)31-22(17-7-9-18(26)10-8-17)23-21(25(31)32)20(16-5-6-16)14(2)29(23)4/h7-12,16,22H,5-6H2,1-4H3
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 US9550796 (2017)

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


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

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


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

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


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

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n/an/a 12n/an/an/an/an/an/a



NOVARTIS AG

US Patent


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


US Patent US9550796 (2017)

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


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

US Patent


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


US Patent US9550796 (2017)

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


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

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n/an/a 12n/an/an/an/an/an/a



NOVARTIS AG

US Patent


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


US Patent US9550796 (2017)

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


(Homo sapiens (Human))
BDBM274329
PNG
(3-(azetidin-3-yl)-6-(4-chlorophenyl)-5-(3,7-dimeth...)
Show SMILES Cc1cc(nc2n(C)nnc12)N1C(c2c(C1=O)c(cn2C)C1CNC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H22ClN7O/c1-12-8-17(26-22-19(12)27-28-30(22)3)31-20(13-4-6-15(24)7-5-13)21-18(23(31)32)16(11-29(21)2)14-9-25-10-14/h4-8,11,14,20,25H,9-10H2,1-3H3
PDB

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n/an/a 12n/an/an/an/an/an/a



NOVARTIS AG

US Patent


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


US Patent US9550796 (2017)

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


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

US Patent


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


US Patent US9550796 (2017)

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


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

US Patent


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


US Patent US9550796 (2017)

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


(Homo sapiens (Human))
BDBM274329
PNG
(3-(azetidin-3-yl)-6-(4-chlorophenyl)-5-(3,7-dimeth...)
Show SMILES Cc1cc(nc2n(C)nnc12)N1C(c2c(C1=O)c(cn2C)C1CNC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H22ClN7O/c1-12-8-17(26-22-19(12)27-28-30(22)3)31-20(13-4-6-15(24)7-5-13)21-18(23(31)32)16(11-29(21)2)14-9-25-10-14/h4-8,11,14,20,25H,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 US9550796 (2017)

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


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

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


(Homo sapiens (Human))
BDBM274312
PNG
(N-(6-(4-chlorophenyl)-5-(1,4-dimethyl-1H-benzo[d][...)
Show SMILES CC(=O)Nc1cn(C)c2C(N(C(=O)c12)c1cc(C)c2nnn(C)c2c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H21ClN6O2/c1-12-9-16(10-18-20(12)26-27-29(18)4)30-21(14-5-7-15(24)8-6-14)22-19(23(30)32)17(11-28(22)3)25-13(2)31/h5-11,21H,1-4H3,(H,25,31)
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 US9550796 (2017)

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


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

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


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

US Patent


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


US Patent US9550796 (2017)

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


(Homo sapiens (Human))
BDBM274336
PNG
((R)-6-(4-chlorophenyl)-2-(3,6-dihydro-2H-pyran-4-y...)
Show SMILES Cc1nnc2c(C)cc(cn12)N1[C@H](c2c(cc(C3=CCOCC3)n2C)C1=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H24ClN5O2/c1-15-12-20(14-31-16(2)28-29-25(15)31)32-23(18-4-6-19(27)7-5-18)24-21(26(32)33)13-22(30(24)3)17-8-10-34-11-9-17/h4-8,12-14,23H,9-11H2,1-3H3/t23-/m0/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 US9550796 (2017)

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


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

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


(Homo sapiens (Human))
BDBM274334
PNG
((R)-6-(4-chlorophenyl)-5-(3,8-di methyl-[1,2,4]tri...)
Show SMILES COc1ncccc1-c1cc2C(=O)N([C@H](c2n1C)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1
Show InChI InChI=1S/C27H23ClN6O2/c1-15-12-19(14-33-16(2)30-31-25(15)33)34-23(17-7-9-18(28)10-8-17)24-21(27(34)35)13-22(32(24)3)20-6-5-11-29-26(20)36-4/h5-14,23H,1-4H3/t23-/m0/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 US9550796 (2017)

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


(Homo sapiens (Human))
BDBM274316
PNG
(3-(1-acetylazetidin-3-yl)-6-(4-chlorophenyl)-5-(3,...)
Show SMILES CC(=O)N1CC(C1)c1cn(C)c2C(N(C(=O)c12)c1cc(C)c2nnc(C)n2c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H25ClN6O2/c1-14-9-20(12-32-15(2)28-29-25(14)32)33-23(17-5-7-19(27)8-6-17)24-22(26(33)35)21(13-30(24)4)18-10-31(11-18)16(3)34/h5-9,12-13,18,23H,10-11H2,1-4H3
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 US9550796 (2017)

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


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

US Patent


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


US Patent US9550796 (2017)

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


(Homo sapiens (Human))
BDBM274323
PNG
(Ethyl 6-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]tr...)
Show SMILES CCOC(=O)n1c2C(N(C(=O)c2c(C)c1-c1cccnc1OC)c1cc(C)c2nnc(C)n2c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C30H27ClN6O4/c1-6-41-30(39)37-24(22-8-7-13-32-28(22)40-5)17(3)23-26(37)25(19-9-11-20(31)12-10-19)36(29(23)38)21-14-16(2)27-34-33-18(4)35(27)15-21/h7-15,25H,6H2,1-5H3
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 US9550796 (2017)

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


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

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


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

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


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

US Patent


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


US Patent US9550796 (2017)

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


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

US Patent


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


US Patent US9550796 (2017)

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


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

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


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

GoogleScholar
AffyNet 
UniChem
n/an/a 14n/an/an/an/an/an/a



NOVARTIS AG

US Patent


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


US Patent US9550796 (2017)

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


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



NOVARTIS AG

US Patent


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


US Patent US9550796 (2017)

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


(Homo sapiens (Human))
BDBM274324
PNG
(Ethyl 6-(4-chlorophenyl)-3-cyclopropyl-5-(3,8-dime...)
Show SMILES CCOC(=O)n1cc(C2CC2)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1
Show InChI InChI=1S/C26H24ClN5O3/c1-4-35-26(34)31-13-20(16-5-6-16)21-23(31)22(17-7-9-18(27)10-8-17)32(25(21)33)19-11-14(2)24-29-28-15(3)30(24)12-19/h7-13,16,22H,4-6H2,1-3H3
PDB

GoogleScholar
AffyNet 
UniChem
n/an/a 15n/an/an/an/an/an/a



NOVARTIS AG

US Patent


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


US Patent US9550796 (2017)

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


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

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
UniChem
n/an/a 15n/an/an/an/an/an/a



NOVARTIS AG

US Patent


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


US Patent US9550796 (2017)

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


(Homo sapiens (Human))
BDBM274312
PNG
(N-(6-(4-chlorophenyl)-5-(1,4-dimethyl-1H-benzo[d][...)
Show SMILES CC(=O)Nc1cn(C)c2C(N(C(=O)c12)c1cc(C)c2nnn(C)c2c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H21ClN6O2/c1-12-9-16(10-18-20(12)26-27-29(18)4)30-21(14-5-7-15(24)8-6-14)22-19(23(30)32)17(11-28(22)3)25-13(2)31/h5-11,21H,1-4H3,(H,25,31)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
UniChem
n/an/a 15n/an/an/an/an/an/a



NOVARTIS AG

US Patent


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


US Patent US9550796 (2017)

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


(Homo sapiens (Human))
BDBM274321
PNG
(6-(4-chlorophenyl)-3-cyclopropyl-5-(3,8-dimethyl-[...)
Show SMILES Cc1nnc2c(C)cc(cn12)N1C(c2c(C1=O)c(C1CC1)c(C)n2C)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H24ClN5O/c1-13-11-19(12-30-15(3)27-28-24(13)30)31-22(17-7-9-18(26)10-8-17)23-21(25(31)32)20(16-5-6-16)14(2)29(23)4/h7-12,16,22H,5-6H2,1-4H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
UniChem
n/an/a 15n/an/an/an/an/an/a



NOVARTIS AG

US Patent


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


US Patent US9550796 (2017)

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


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



NOVARTIS AG

US Patent


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


US Patent US9550796 (2017)

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