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Compile Data Set for Download or QSAR

Found 259 hits of Enz. Inhib. data with enzyme = 'Bromodomain-containing protein 2' and Substrate = 'to-be-curated'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM380716
PNG
((R)-6-(4-chlorophenyl)-2-(3,6-dihydro-2H-pyran-4-y...)
Show SMILES CC(C)n1c(nc2C(=O)N([C@@H](c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2n1)C1=CCOCC1
Show InChI InChI=1S/C26H26ClN7O2/c1-14(2)32-23-21(28-25(32)18-9-11-36-12-10-18)26(35)33(22(23)17-5-7-19(27)8-6-17)20-13-15(3)24-30-29-16(4)34(24)31-20/h5-9,13-14,22H,10-12H2,1-4H3/t22-/m1/s1
PDB

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n/an/a<11n/an/an/an/an/an/a



Novartis AG

US Patent


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


US Patent US9890166 (2018)

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


(Homo sapiens (Human))
BDBM380694
PNG
((R)-6-(4-chlorophenyl)-2-(3,6-dihydro-2H-pyran-4-y...)
Show SMILES CC(C)n1c(nc2C(=O)N([C@@H](c12)c1ccc(Cl)cc1)c1cc(C)c2nnn(C)c2c1)C1=CCOCC1
Show InChI InChI=1S/C27H27ClN6O2/c1-15(2)33-25-23(29-26(33)18-9-11-36-12-10-18)27(35)34(24(25)17-5-7-19(28)8-6-17)20-13-16(3)22-21(14-20)32(4)31-30-22/h5-9,13-15,24H,10-12H2,1-4H3/t24-/m1/s1
PDB

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n/an/a<11n/an/an/an/an/an/a



Novartis AG

US Patent


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


US Patent US9890166 (2018)

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


(Homo sapiens (Human))
BDBM380670
PNG
(6-(4-chlorophenyl)-2-cyclopropyl-5-(3,8-dimethyl-[...)
Show SMILES Cc1nnc2c(C)cc(cn12)N1C(c2c(nc(C3CC3)n2C)C1=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H21ClN6O/c1-12-10-17(11-29-13(2)26-27-21(12)29)30-19(14-6-8-16(24)9-7-14)20-18(23(30)31)25-22(28(20)3)15-4-5-15/h6-11,15,19H,4-5H2,1-3H3
PDB

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n/an/a<11n/an/an/an/an/an/a



Novartis AG

US Patent


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


US Patent US9890166 (2018)

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


(Homo sapiens (Human))
BDBM380723
PNG
((R)-6-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]tria...)
Show SMILES CC(C)n1c(C)nc2C(=O)N([C@@H](c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2n1
Show InChI InChI=1S/C22H22ClN7O/c1-11(2)28-13(4)24-18-20(28)19(15-6-8-16(23)9-7-15)29(22(18)31)17-10-12(3)21-26-25-14(5)30(21)27-17/h6-11,19H,1-5H3/t19-/m1/s1
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 US9890166 (2018)

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


(Homo sapiens (Human))
BDBM380695
PNG
((R)-6-(4-chlorophenyl)-5-(1,4-dimethyl-1H-benzo[d]...)
Show SMILES CC(C)n1c(nc2C(=O)N([C@@H](c12)c1ccc(Cl)cc1)c1cc(C)c2nnn(C)c2c1)C1CCOCC1
Show InChI InChI=1S/C27H29ClN6O2/c1-15(2)33-25-23(29-26(33)18-9-11-36-12-10-18)27(35)34(24(25)17-5-7-19(28)8-6-17)20-13-16(3)22-21(14-20)32(4)31-30-22/h5-8,13-15,18,24H,9-12H2,1-4H3/t24-/m1/s1
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 US9890166 (2018)

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


(Homo sapiens (Human))
BDBM380725
PNG
((R)-6-(4-chlorophenyl)-5-(1,4-dimethyl-1H-benzo[d]...)
Show SMILES COc1ncccc1-c1nc2C(=O)N([C@@H](c2n1C(C)C)c1ccc(Cl)cc1)c1cc(C)c2nnn(C)c2c1
Show InChI InChI=1S/C28H26ClN7O2/c1-15(2)35-25-23(31-26(35)20-7-6-12-30-27(20)38-5)28(37)36(24(25)17-8-10-18(29)11-9-17)19-13-16(3)22-21(14-19)34(4)33-32-22/h6-15,24H,1-5H3/t24-/m1/s1
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 US9890166 (2018)

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


(Homo sapiens (Human))
BDBM380763
PNG
((R)-6-(4-chlorophenyl)-5-(3-(difluoromethyl)-8-met...)
Show SMILES COc1ncccc1-c1nc2C(=O)N([C@@H](c2n1C(C)C)c1ccc(Cl)cc1)c1cc(C)c2nnc(C(F)F)n2c1
Show InChI InChI=1S/C28H24ClF2N7O2/c1-14(2)37-22-20(33-25(37)19-6-5-11-32-27(19)40-4)28(39)38(21(22)16-7-9-17(29)10-8-16)18-12-15(3)24-34-35-26(23(30)31)36(24)13-18/h5-14,21,23H,1-4H3/t21-/m1/s1
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 US9890166 (2018)

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


(Homo sapiens (Human))
BDBM380731
PNG
((R)-6-(4-chlorophenyl)-5-(3,7-dimethyl-3H-benzo[d]...)
Show SMILES CC(C)n1c(C)nc2[C@H](N(C(=O)c12)c1cc(C)c2nnn(C)c2c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H23ClN6O/c1-12(2)29-14(4)25-20-21(15-6-8-16(24)9-7-15)30(23(31)22(20)29)17-10-13(3)19-18(11-17)28(5)27-26-19/h6-12,21H,1-5H3/t21-/m1/s1
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 US9890166 (2018)

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


(Homo sapiens (Human))
BDBM380654
PNG
((R)-6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-1,6-d...)
Show SMILES CCn1c(nc2[C@H](N(C(=O)c12)c1cc(C)c(=O)n(C)c1)c1ccc(Cl)cc1)-c1cccnc1OC
Show InChI InChI=1S/C26H24ClN5O3/c1-5-31-22-20(29-23(31)19-7-6-12-28-24(19)35-4)21(16-8-10-17(27)11-9-16)32(26(22)34)18-13-15(2)25(33)30(3)14-18/h6-14,21H,5H2,1-4H3/t21-/m1/s1
PDB

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n/an/a 15.5n/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 US9890166 (2018)

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


(Homo sapiens (Human))
BDBM380769
PNG
((R)-6-(4-chlorophenyl)-5-(3-(difluoromethyl)-8-met...)
Show SMILES COc1ncc(-c2nc3C(=O)N([C@@H](c3n2C(C)C)c2ccc(Cl)cc2)c2cc(C)c3nnc(C(F)F)n3c2)c(OC)n1
Show InChI InChI=1S/C28H25ClF2N8O3/c1-13(2)38-21-19(33-24(38)18-11-32-28(42-5)34-26(18)41-4)27(40)39(20(21)15-6-8-16(29)9-7-15)17-10-14(3)23-35-36-25(22(30)31)37(23)12-17/h6-13,20,22H,1-5H3/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 US9890166 (2018)

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


(Homo sapiens (Human))
BDBM380768
PNG
((R)-6-(4-chlorophenyl)-5-(3,7-dimethyl-3H-[1,2,3]t...)
Show SMILES COc1ncccc1-c1nc2C(=O)N([C@@H](c2n1C(C)C)c1ccc(Cl)cc1)c1cc(C)c2nnn(C)c2n1
Show InChI InChI=1S/C27H25ClN8O2/c1-14(2)35-23-21(31-24(35)18-7-6-12-29-26(18)38-5)27(37)36(22(23)16-8-10-17(28)11-9-16)19-13-15(3)20-25(30-19)34(4)33-32-20/h6-14,22H,1-5H3/t22-/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 US9890166 (2018)

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


(Homo sapiens (Human))
BDBM380778
PNG
((R)-6-(4-chlorophenyl)-5-(3-(difluoromethyl)-8-met...)
Show SMILES COc1ncccc1-c1nc2C(=O)N([C@@H](c2n1C(C)C)c1ccc(Cl)cc1)c1cc(C)c2nnc(C(F)F)n2n1
Show InChI InChI=1S/C27H23ClF2N8O2/c1-13(2)36-21-19(32-24(36)17-6-5-11-31-26(17)40-4)27(39)37(20(21)15-7-9-16(28)10-8-15)18-12-14(3)23-33-34-25(22(29)30)38(23)35-18/h5-13,20,22H,1-4H3/t20-/m1/s1
PDB

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n/an/a 17n/an/an/an/an/an/a



Novartis AG

US Patent


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


US Patent US9890166 (2018)

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


(Homo sapiens (Human))
BDBM380693
PNG
(6-(4-chlorophenyl)-5-(1,4-dimethyl-1H-benzo[d][1,2...)
Show SMILES CC(C)n1c(nc2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnn(C)c2c1)C1CCOCC1
Show InChI InChI=1S/C27H29ClN6O2/c1-15(2)33-25-23(29-26(33)18-9-11-36-12-10-18)27(35)34(24(25)17-5-7-19(28)8-6-17)20-13-16(3)22-21(14-20)32(4)31-30-22/h5-8,13-15,18,24H,9-12H2,1-4H3
PDB

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n/an/a 17n/an/an/an/an/an/a



Novartis AG

US Patent


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


US Patent US9890166 (2018)

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


(Homo sapiens (Human))
BDBM380658
PNG
((R)-6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-1,6-d...)
Show SMILES COc1ncccc1-c1nc2[C@H](N(C(=O)c2n1C(C)C)c1cc(C)c(=O)n(C)c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C27H26ClN5O3/c1-15(2)32-23-21(30-24(32)20-7-6-12-29-25(20)36-5)22(17-8-10-18(28)11-9-17)33(27(23)35)19-13-16(3)26(34)31(4)14-19/h6-15,22H,1-5H3/t22-/m1/s1
PDB

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n/an/a 17n/an/an/an/an/an/a



Novartis AG

US Patent


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


US Patent US9890166 (2018)

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


(Homo sapiens (Human))
BDBM380744
PNG
(6-(4-chlorophenyl)-5-(3-(difluoromethyl)-8-methyl-...)
Show SMILES COc1ncccc1-c1nc2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1)c1cc(C)c2nnc(C(F)F)n2c1
Show InChI InChI=1S/C28H24ClF2N7O2/c1-14(2)37-22-20(33-25(37)19-6-5-11-32-27(19)40-4)28(39)38(21(22)16-7-9-17(29)10-8-16)18-12-15(3)24-34-35-26(23(30)31)36(24)13-18/h5-14,21,23H,1-4H3
PDB

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n/an/a 19n/an/an/an/an/an/a



Novartis AG

US Patent


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


US Patent US9890166 (2018)

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


(Homo sapiens (Human))
BDBM380699
PNG
(6-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo...)
Show SMILES CC(C)n1c(nc2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1)C1CCOCC1
Show InChI InChI=1S/C27H29ClN6O2/c1-15(2)33-24-22(29-26(33)19-9-11-36-12-10-19)27(35)34(23(24)18-5-7-20(28)8-6-18)21-13-16(3)25-31-30-17(4)32(25)14-21/h5-8,13-15,19,23H,9-12H2,1-4H3
PDB

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n/an/a 19n/an/an/an/an/an/a



Novartis AG

US Patent


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


US Patent US9890166 (2018)

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


(Homo sapiens (Human))
BDBM380632
PNG
(6-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo...)
Show SMILES CC(C)n1c(C)nc2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2n1
Show InChI InChI=1S/C22H22ClN7O/c1-11(2)28-13(4)24-18-20(28)19(15-6-8-16(23)9-7-15)29(22(18)31)17-10-12(3)21-26-25-14(5)30(21)27-17/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 US9890166 (2018)

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


(Homo sapiens (Human))
BDBM380758
PNG
((R)-6-(4-chlorophenyl)-5-(3-(difluoromethyl)-8-met...)
Show SMILES CC(C)n1c(C)nc2C(=O)N([C@@H](c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C(F)F)n2c1
Show InChI InChI=1S/C23H21ClF2N6O/c1-11(2)31-13(4)27-17-19(31)18(14-5-7-15(24)8-6-14)32(23(17)33)16-9-12(3)21-28-29-22(20(25)26)30(21)10-16/h5-11,18,20H,1-4H3/t18-/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 US9890166 (2018)

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


(Homo sapiens (Human))
BDBM380715
PNG
((R)-6-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]tria...)
Show SMILES CC(C)n1c(nc2C(=O)N([C@@H](c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2n1)C1CCOCC1
Show InChI InChI=1S/C26H28ClN7O2/c1-14(2)32-23-21(28-25(32)18-9-11-36-12-10-18)26(35)33(22(23)17-5-7-19(27)8-6-17)20-13-15(3)24-30-29-16(4)34(24)31-20/h5-8,13-14,18,22H,9-12H2,1-4H3/t22-/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 US9890166 (2018)

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


(Homo sapiens (Human))
BDBM380734
PNG
((R)-6-(4-chlorophenyl)-5-(3,7-dimethyl-3H-benzo[d]...)
Show SMILES CCn1c(C)nc2[C@H](N(C(=O)c12)c1cc(C)c2nnn(C)c2c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H21ClN6O/c1-5-28-13(3)24-19-20(14-6-8-15(23)9-7-14)29(22(30)21(19)28)16-10-12(2)18-17(11-16)27(4)26-25-18/h6-11,20H,5H2,1-4H3/t20-/m1/s1
PDB

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n/an/a 21.5n/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 US9890166 (2018)

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


(Homo sapiens (Human))
BDBM380761
PNG
(6-(4-chlorophenyl)-5-(3-(difluoromethyl)-8-methyl-...)
Show SMILES COc1ccc(cn1)-c1nc2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1)c1cc(C)c2nnc(C(F)F)n2n1
Show InChI InChI=1S/C27H23ClF2N8O2/c1-13(2)36-22-20(32-25(36)16-7-10-19(40-4)31-12-16)27(39)37(21(22)15-5-8-17(28)9-6-15)18-11-14(3)24-33-34-26(23(29)30)38(24)35-18/h5-13,21,23H,1-4H3
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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 US9890166 (2018)

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


(Homo sapiens (Human))
BDBM380685
PNG
(N-(tert-butyl)-4-(6-(4-chlorophenyl)-5-(3,8-dimeth...)
Show SMILES CC(C)n1c(nc2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1)C1=CCN(CC1)C(=O)NC(C)(C)C
Show InChI InChI=1S/C32H37ClN8O2/c1-18(2)40-27-25(34-29(40)22-12-14-38(15-13-22)31(43)35-32(5,6)7)30(42)41(26(27)21-8-10-23(33)11-9-21)24-16-19(3)28-37-36-20(4)39(28)17-24/h8-12,16-18,26H,13-15H2,1-7H3,(H,35,43)
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 US9890166 (2018)

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


(Homo sapiens (Human))
BDBM380682
PNG
(US9890166, Example 69 | isobutyl 4-(6-(4-chlorophe...)
Show SMILES CC(C)COC(=O)N1CCC(=CC1)c1nc2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1
Show InChI InChI=1S/C32H36ClN7O3/c1-18(2)17-43-32(42)37-13-11-23(12-14-37)30-34-26-28(39(30)19(3)4)27(22-7-9-24(33)10-8-22)40(31(26)41)25-15-20(5)29-36-35-21(6)38(29)16-25/h7-11,15-16,18-19,27H,12-14,17H2,1-6H3
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 US9890166 (2018)

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


(Homo sapiens (Human))
BDBM380653
PNG
((R)-6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-1,6-d...)
Show SMILES CCn1c(nc2[C@H](N(C(=O)c12)c1cc(C)c(=O)n(C)c1)c1ccc(Cl)cc1)-c1ccc(OC)nc1
Show InChI InChI=1S/C26H24ClN5O3/c1-5-31-23-21(29-24(31)17-8-11-20(35-4)28-13-17)22(16-6-9-18(27)10-7-16)32(26(23)34)19-12-15(2)25(33)30(3)14-19/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 US9890166 (2018)

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


(Homo sapiens (Human))
BDBM380765
PNG
((R)-6-(4-chlorophenyl)-5-(3-(difluoromethyl)-8-met...)
Show SMILES COc1ncccc1-c1nc2C(=O)N([C@@H](c2[nH]1)c1ccc(Cl)cc1)c1cc(C)c2nnc(C(F)F)n2c1
Show InChI InChI=1/C25H18ClF2N7O2/c1-12-10-15(11-34-22(12)32-33-23(34)20(27)28)35-19(13-5-7-14(26)8-6-13)17-18(25(35)36)31-21(30-17)16-4-3-9-29-24(16)37-2/h3-11,19-20H,1-2H3,(H,30,31)/t19-/s2
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 US9890166 (2018)

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


(Homo sapiens (Human))
BDBM380700
PNG
((R)-6-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]tria...)
Show SMILES CC(C)n1c(nc2C(=O)N([C@@H](c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1)C1CCOCC1
Show InChI InChI=1S/C27H29ClN6O2/c1-15(2)33-24-22(29-26(33)19-9-11-36-12-10-19)27(35)34(23(24)18-5-7-20(28)8-6-18)21-13-16(3)25-31-30-17(4)32(25)14-21/h5-8,13-15,19,23H,9-12H2,1-4H3/t23-/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 US9890166 (2018)

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


(Homo sapiens (Human))
BDBM380779
PNG
(6-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo...)
Show SMILES CC(C)n1c(nc2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2n1)C1CCN(C)CC1
Show InChI InChI=1S/C27H31ClN8O/c1-15(2)34-24-22(29-26(34)19-10-12-33(5)13-11-19)27(37)35(23(24)18-6-8-20(28)9-7-18)21-14-16(3)25-31-30-17(4)36(25)32-21/h6-9,14-15,19,23H,10-13H2,1-5H3
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 US9890166 (2018)

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


(Homo sapiens (Human))
BDBM380756
PNG
(6-(4-chlorophenyl)-5-(3-(difluoromethyl)-8-methyl-...)
Show SMILES COc1cc(ccc1-c1nc2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1)c1cc(C)c2nnc(C(F)F)n2c1)C(F)(F)F
Show InChI InChI=1S/C30H24ClF5N6O2/c1-14(2)41-24-22(37-27(41)20-10-7-17(30(34,35)36)12-21(20)44-4)29(43)42(23(24)16-5-8-18(31)9-6-16)19-11-15(3)26-38-39-28(25(32)33)40(26)13-19/h5-14,23,25H,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 US9890166 (2018)

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


(Homo sapiens (Human))
BDBM380750
PNG
(6-(4-chlorophenyl)-5-(3,7-dimethyl-3H-[1,2,3]triaz...)
Show SMILES COc1ccc(cn1)-c1nc2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1)c1cc(C)c2nnn(C)c2n1
Show InChI InChI=1S/C27H25ClN8O2/c1-14(2)35-24-22(31-25(35)17-8-11-20(38-5)29-13-17)27(37)36(23(24)16-6-9-18(28)10-7-16)19-12-15(3)21-26(30-19)34(4)33-32-21/h6-14,23H,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 US9890166 (2018)

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


(Homo sapiens (Human))
BDBM380705
PNG
(6-(4-chlorophenyl)-2-(2,5-dihydrofuran-3-yl)-5-(3-...)
Show SMILES CC(C)n1c(nc2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(CF)n2c1)C1=CCOC1
Show InChI InChI=1S/C26H24ClFN6O2/c1-14(2)33-23-21(29-25(33)17-8-9-36-13-17)26(35)34(22(23)16-4-6-18(27)7-5-16)19-10-15(3)24-31-30-20(11-28)32(24)12-19/h4-8,10,12,14,22H,9,11,13H2,1-3H3
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 US9890166 (2018)

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


(Homo sapiens (Human))
BDBM380688
PNG
(6-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo...)
Show SMILES CC(C)n1c(nc2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1)C1CCNCC1
Show InChI InChI=1S/C27H30ClN7O/c1-15(2)34-24-22(30-26(34)19-9-11-29-12-10-19)27(36)35(23(24)18-5-7-20(28)8-6-18)21-13-16(3)25-32-31-17(4)33(25)14-21/h5-8,13-15,19,23,29H,9-12H2,1-4H3
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 US9890166 (2018)

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


(Homo sapiens (Human))
BDBM380617
PNG
(6-(4-chlorophenyl)-5-(3,7-dimethyl-3H-benzo[d][1,2...)
Show SMILES CC(C)n1c(C)nc2C(N(C(=O)c12)c1cc(C)c2nnn(C)c2c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H23ClN6O/c1-12(2)29-14(4)25-20-21(15-6-8-16(24)9-7-15)30(23(31)22(20)29)17-10-13(3)19-18(11-17)28(5)27-26-19/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 US9890166 (2018)

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


(Homo sapiens (Human))
BDBM380720
PNG
((R)-6-(4-chlorophenyl)-2-cyclopropyl-5-(3,8-dimeth...)
Show SMILES CC(C)n1c(nc2C(=O)N([C@@H](c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1)C1CC1
Show InChI InChI=1S/C25H25ClN6O/c1-13(2)31-22-20(27-24(31)17-5-6-17)25(33)32(21(22)16-7-9-18(26)10-8-16)19-11-14(3)23-29-28-15(4)30(23)12-19/h7-13,17,21H,5-6H2,1-4H3/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 US9890166 (2018)

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


(Homo sapiens (Human))
BDBM380711
PNG
(6-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo...)
Show SMILES CC(C)n1c(nc2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1)C1CCN(C)CC1
Show InChI InChI=1S/C28H32ClN7O/c1-16(2)35-25-23(30-27(35)20-10-12-33(5)13-11-20)28(37)36(24(25)19-6-8-21(29)9-7-19)22-14-17(3)26-32-31-18(4)34(26)15-22/h6-9,14-16,20,24H,10-13H2,1-5H3
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 US9890166 (2018)

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


(Homo sapiens (Human))
BDBM380698
PNG
((R)-6-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]tria...)
Show SMILES CC(C)n1c(nc2C(=O)N([C@@H](c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1)C1=CCCN(C)C1
Show InChI InChI=1S/C28H30ClN7O/c1-16(2)35-25-23(30-27(35)20-7-6-12-33(5)14-20)28(37)36(24(25)19-8-10-21(29)11-9-19)22-13-17(3)26-32-31-18(4)34(26)15-22/h7-11,13,15-16,24H,6,12,14H2,1-5H3/t24-/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 US9890166 (2018)

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


(Homo sapiens (Human))
BDBM380733
PNG
(6-(4-chlorophenyl)-5-(3,7-dimethyl-3H-benzo[d][1,2...)
Show SMILES CCn1c(C)nc2C(N(C(=O)c12)c1cc(C)c2nnn(C)c2c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H21ClN6O/c1-5-28-13(3)24-19-20(14-6-8-15(23)9-7-14)29(22(30)21(19)28)16-10-12(2)18-17(11-16)27(4)26-25-18/h6-11,20H,5H2,1-4H3
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 US9890166 (2018)

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


(Homo sapiens (Human))
BDBM380638
PNG
((R)-6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-1,6-d...)
Show SMILES CC(C)n1c(nc2C(=O)N([C@@H](c12)c1ccc(Cl)cc1)c1cc(C)c(=O)n(C)c1)-c1nccs1
Show InChI InChI=1S/C24H22ClN5O2S/c1-13(2)29-20-18(27-21(29)22-26-9-10-33-22)24(32)30(17-11-14(3)23(31)28(4)12-17)19(20)15-5-7-16(25)8-6-15/h5-13,19H,1-4H3/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 US9890166 (2018)

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


(Homo sapiens (Human))
BDBM380771
PNG
(6-(4-chlorophenyl)-5-(3-(difluoromethyl)-8-methyl-...)
Show SMILES CC(C)n1c(nc2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C(F)F)n2n1)C1=CCOCC1
Show InChI InChI=1S/C26H24ClF2N7O2/c1-13(2)34-21-19(30-24(34)16-8-10-38-11-9-16)26(37)35(20(21)15-4-6-17(27)7-5-15)18-12-14(3)23-31-32-25(22(28)29)36(23)33-18/h4-8,12-13,20,22H,9-11H2,1-3H3
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 US9890166 (2018)

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


(Homo sapiens (Human))
BDBM380767
PNG
((R)-6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-1,6-d...)
Show SMILES COc1ncccc1-c1nc2C(=O)N([C@@H](c2[nH]1)c1ccc(Cl)cc1)c1cc(C)c(=O)n(C)c1
Show InChI InChI=1/C24H20ClN5O3/c1-13-11-16(12-29(2)23(13)31)30-20(14-6-8-15(25)9-7-14)18-19(24(30)32)28-21(27-18)17-5-4-10-26-22(17)33-3/h4-12,20H,1-3H3,(H,27,28)/t20-/s2
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 US9890166 (2018)

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


(Homo sapiens (Human))
BDBM380683
PNG
(US9890166, Example 70 | ethyl 4-(6-(4-chlorophenyl...)
Show SMILES CCOC(=O)N1CCC(=CC1)c1nc2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1
Show InChI InChI=1S/C30H32ClN7O3/c1-6-41-30(40)35-13-11-21(12-14-35)28-32-24-26(37(28)17(2)3)25(20-7-9-22(31)10-8-20)38(29(24)39)23-15-18(4)27-34-33-19(5)36(27)16-23/h7-11,15-17,25H,6,12-14H2,1-5H3
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 US9890166 (2018)

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


(Homo sapiens (Human))
BDBM380619
PNG
((R)-6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-1,6-d...)
Show SMILES COc1ccc(cn1)-c1nc2C(=O)N([C@@H](c2[nH]1)c1ccc(Cl)cc1)c1cc(C)c(=O)n(C)c1
Show InChI InChI=1/C24H20ClN5O3/c1-13-10-17(12-29(2)23(13)31)30-21(14-4-7-16(25)8-5-14)19-20(24(30)32)28-22(27-19)15-6-9-18(33-3)26-11-15/h4-12,21H,1-3H3,(H,27,28)/t21-/s2
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 US9890166 (2018)

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


(Homo sapiens (Human))
BDBM380724
PNG
((R)-6-(4-chlorophenyl)-1-isopropyl-5-((4-methoxy-1...)
Show SMILES COc1cc(cc2n(C)nnc12)N1[C@@H](c2c(nc(-c3cccnc3OC)n2C(C)C)C1=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C28H26ClN7O3/c1-15(2)35-25-23(31-26(35)19-7-6-12-30-27(19)39-5)28(37)36(24(25)16-8-10-17(29)11-9-16)18-13-20-22(21(14-18)38-4)32-33-34(20)3/h6-15,24H,1-5H3/t24-/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 US9890166 (2018)

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


(Homo sapiens (Human))
BDBM380616
PNG
(6-(4-chlorophenyl)-5-(3,7-dimethyl-3H-benzo[d][1,2...)
Show SMILES CC(C)n1c(C)nc2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnn(C)c2c1
Show InChI InChI=1S/C23H23ClN6O/c1-12(2)29-14(4)25-20-22(29)21(15-6-8-16(24)9-7-15)30(23(20)31)17-10-13(3)19-18(11-17)28(5)27-26-19/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 US9890166 (2018)

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


(Homo sapiens (Human))
BDBM380684
PNG
(US9890166, Example 71 | isopropyl 4-(6-(4-chloroph...)
Show SMILES CC(C)OC(=O)N1CCC(=CC1)c1nc2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1
Show InChI InChI=1S/C31H34ClN7O3/c1-17(2)38-27-25(33-29(38)22-11-13-36(14-12-22)31(41)42-18(3)4)30(40)39(26(27)21-7-9-23(32)10-8-21)24-15-19(5)28-35-34-20(6)37(28)16-24/h7-11,15-18,26H,12-14H2,1-6H3
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 US9890166 (2018)

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


(Homo sapiens (Human))
BDBM380657
PNG
(6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-1,6-dihyd...)
Show SMILES COc1ncccc1-c1nc2C(N(C(=O)c2n1C(C)C)c1cc(C)c(=O)n(C)c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C27H26ClN5O3/c1-15(2)32-23-21(30-24(32)20-7-6-12-29-25(20)36-5)22(17-8-10-18(28)11-9-17)33(27(23)35)19-13-16(3)26(34)31(4)14-19/h6-15,22H,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 US9890166 (2018)

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


(Homo sapiens (Human))
BDBM380628
PNG
(6-(4-chlorophenyl)-2-(3,6-dihydro-2H-pyran-4-yl)-5...)
Show SMILES CC(C)n1c(nc2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1)C1=CCOCC1
Show InChI InChI=1S/C27H27ClN6O2/c1-15(2)33-24-22(29-26(33)19-9-11-36-12-10-19)27(35)34(23(24)18-5-7-20(28)8-6-18)21-13-16(3)25-31-30-17(4)32(25)14-21/h5-9,13-15,23H,10-12H2,1-4H3
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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 US9890166 (2018)

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


(Homo sapiens (Human))
BDBM380755
PNG
(6-(4-chlorophenyl)-5-(3-(difluoromethyl)-8-methyl-...)
Show SMILES COc1ncc(-c2nc3C(=O)N(C(c3n2C(C)C)c2ccc(Cl)cc2)c2cc(C)c3nnc(C(F)F)n3c2)c(OC)n1
Show InChI InChI=1S/C28H25ClF2N8O3/c1-13(2)38-21-19(33-24(38)18-11-32-28(42-5)34-26(18)41-4)27(40)39(20(21)15-6-8-16(29)9-7-15)17-10-14(3)23-35-36-25(22(30)31)37(23)12-17/h6-13,20,22H,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 US9890166 (2018)

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


(Homo sapiens (Human))
BDBM380714
PNG
(6-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo...)
Show SMILES CC(C)n1c(nc2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2n1)C1CCOCC1
Show InChI InChI=1S/C26H28ClN7O2/c1-14(2)32-23-21(28-25(32)18-9-11-36-12-10-18)26(35)33(22(23)17-5-7-19(27)8-6-17)20-13-15(3)24-30-29-16(4)34(24)31-20/h5-8,13-14,18,22H,9-12H2,1-4H3
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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 US9890166 (2018)

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


(Homo sapiens (Human))
BDBM380702
PNG
(6-(4-chlorophenyl)-5-(3-(fluoromethyl)-8-methyl-[1...)
Show SMILES COc1ncccc1-c1nc2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1)c1cc(C)c2nnc(CF)n2c1
Show InChI InChI=1S/C28H25ClFN7O2/c1-15(2)36-24-22(32-26(36)20-6-5-11-31-27(20)39-4)28(38)37(23(24)17-7-9-18(29)10-8-17)19-12-16(3)25-34-33-21(13-30)35(25)14-19/h5-12,14-15,23H,13H2,1-4H3
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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 US9890166 (2018)

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


(Homo sapiens (Human))
BDBM380745
PNG
(6-(4-chlorophenyl)-5-(3,7-dimethyl-3H-benzo[d][1,2...)
Show SMILES COc1ncccc1-c1nc2C(=O)N(C(c2[nH]1)c1ccc(Cl)cc1)c1cc(C)c2nnn(C)c2c1
Show InChI InChI=1/C25H20ClN7O2/c1-13-11-16(12-18-19(13)30-31-32(18)2)33-22(14-6-8-15(26)9-7-14)20-21(25(33)34)29-23(28-20)17-5-4-10-27-24(17)35-3/h4-12,22H,1-3H3,(H,28,29)
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 US9890166 (2018)

More data for this
Ligand-Target Pair
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