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Patent code US9624247

Compile Data Set for Download or QSAR
Found 107 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))
BDBM318840
PNG
((R)-6-4-chlorophenyl)-3-cyclopropyl-5-(3,8-dimethy...)
Show SMILES CNC1=C(C(=N)C2CC2)C(=O)N([C@@H]1c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1
Show InChI InChI=1S/C23H23ClN6O/c1-12-10-17(11-29-13(2)27-28-22(12)29)30-21(15-6-8-16(24)9-7-15)20(26-3)18(23(30)31)19(25)14-4-5-14/h6-11,14,21,25-26H,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 US9624247 (2017)

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


(Homo sapiens (Human))
BDBM318845
PNG
((R)-6-(4-chlorophenyl)-3-cyclopropyl-5-(3-(difluor...)
Show SMILES Cc1cc(cn2c(nnc12)C(F)F)N1[C@@H](c2c(C1=O)c(nn2C)C1CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H19ClF2N6O/c1-11-9-15(10-31-21(11)27-28-22(31)20(25)26)32-18(13-5-7-14(24)8-6-13)19-16(23(32)33)17(12-3-4-12)29-30(19)2/h5-10,12,18,20H,3-4H2,1-2H3/t18-/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 US9624247 (2017)

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


(Homo sapiens (Human))
BDBM318861
PNG
((R)-6-(4-chlorophenyl)-3-cyclopropyl-5-(3,8-dimeth...)
Show SMILES Cc1nnc2c(C)cc(nn12)N1[C@@H](c2c(C1=O)c(nn2C)C1CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H20ClN7O/c1-11-10-16(26-30-12(2)24-25-21(11)30)29-19(14-6-8-15(23)9-7-14)20-17(22(29)31)18(13-4-5-13)27-28(20)3/h6-10,13,19H,4-5H2,1-3H3/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 US9624247 (2017)

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


(Homo sapiens (Human))
BDBM318841
PNG
(6-(4-chlorophenyl)-3-cyclopropyl-5-(3-(difluoromet...)
Show SMILES Cc1cc(cn2c(nnc12)C(F)F)N1C(c2c(C1=O)c(nn2C)C1CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H19ClF2N6O/c1-11-9-15(10-31-21(11)27-28-22(31)20(25)26)32-18(13-5-7-14(24)8-6-13)19-16(23(32)33)17(12-3-4-12)29-30(19)2/h5-10,12,18,20H,3-4H2,1-2H3
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 US9624247 (2017)

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


(Homo sapiens (Human))
BDBM318861
PNG
((R)-6-(4-chlorophenyl)-3-cyclopropyl-5-(3,8-dimeth...)
Show SMILES Cc1nnc2c(C)cc(nn12)N1[C@@H](c2c(C1=O)c(nn2C)C1CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H20ClN7O/c1-11-10-16(26-30-12(2)24-25-21(11)30)29-19(14-6-8-15(23)9-7-14)20-17(22(29)31)18(13-4-5-13)27-28(20)3/h6-10,13,19H,4-5H2,1-3H3/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 US9624247 (2017)

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


(Homo sapiens (Human))
BDBM318855
PNG
((R)-6-(4-chlorophenyl)-3-cyclopropyl-5-(3-(fluorom...)
Show SMILES Cc1cc(cn2c(CF)nnc12)N1[C@@H](c2c(C1=O)c(nn2C)C1CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H20ClFN6O/c1-12-9-16(11-30-17(10-25)26-27-22(12)30)31-20(14-5-7-15(24)8-6-14)21-18(23(31)32)19(13-3-4-13)28-29(21)2/h5-9,11,13,20H,3-4,10H2,1-2H3/t20-/m1/s1
PDB

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NOVARTIS AG

US Patent


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


US Patent US9624247 (2017)

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


(Homo sapiens (Human))
BDBM318842
PNG
(6-(4-chlorophenyl)-3-cyclopropyl-5-(3-(difluoromet...)
Show SMILES COCCn1nc(C2CC2)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1
Show InChI InChI=1S/C25H25ClN6O2/c1-14-12-19(13-30-15(2)27-28-24(14)30)32-22(17-6-8-18(26)9-7-17)23-20(25(32)33)21(16-4-5-16)29-31(23)10-11-34-3/h6-9,12-13,16,22H,4-5,10-11H2,1-3H3
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 US9624247 (2017)

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


(Homo sapiens (Human))
BDBM318840
PNG
((R)-6-4-chlorophenyl)-3-cyclopropyl-5-(3,8-dimethy...)
Show SMILES CNC1=C(C(=N)C2CC2)C(=O)N([C@@H]1c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1
Show InChI InChI=1S/C23H23ClN6O/c1-12-10-17(11-29-13(2)27-28-22(12)29)30-21(15-6-8-16(24)9-7-15)20(26-3)18(23(30)31)19(25)14-4-5-14/h6-11,14,21,25-26H,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 US9624247 (2017)

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


(Homo sapiens (Human))
BDBM318855
PNG
((R)-6-(4-chlorophenyl)-3-cyclopropyl-5-(3-(fluorom...)
Show SMILES Cc1cc(cn2c(CF)nnc12)N1[C@@H](c2c(C1=O)c(nn2C)C1CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H20ClFN6O/c1-12-9-16(11-30-17(10-25)26-27-22(12)30)31-20(14-5-7-15(24)8-6-14)21-18(23(31)32)19(13-3-4-13)28-29(21)2/h5-9,11,13,20H,3-4,10H2,1-2H3/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 US9624247 (2017)

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


(Homo sapiens (Human))
BDBM318841
PNG
(6-(4-chlorophenyl)-3-cyclopropyl-5-(3-(difluoromet...)
Show SMILES Cc1cc(cn2c(nnc12)C(F)F)N1C(c2c(C1=O)c(nn2C)C1CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H19ClF2N6O/c1-11-9-15(10-31-21(11)27-28-22(31)20(25)26)32-18(13-5-7-14(24)8-6-13)19-16(23(32)33)17(12-3-4-12)29-30(19)2/h5-10,12,18,20H,3-4H2,1-2H3
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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 US9624247 (2017)

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


(Homo sapiens (Human))
BDBM318842
PNG
(6-(4-chlorophenyl)-3-cyclopropyl-5-(3-(difluoromet...)
Show SMILES COCCn1nc(C2CC2)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1
Show InChI InChI=1S/C25H25ClN6O2/c1-14-12-19(13-30-15(2)27-28-24(14)30)32-22(17-6-8-18(26)9-7-17)23-20(25(32)33)21(16-4-5-16)29-31(23)10-11-34-3/h6-9,12-13,16,22H,4-5,10-11H2,1-3H3
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 US9624247 (2017)

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


(Homo sapiens (Human))
BDBM318855
PNG
((R)-6-(4-chlorophenyl)-3-cyclopropyl-5-(3-(fluorom...)
Show SMILES Cc1cc(cn2c(CF)nnc12)N1[C@@H](c2c(C1=O)c(nn2C)C1CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H20ClFN6O/c1-12-9-16(11-30-17(10-25)26-27-22(12)30)31-20(14-5-7-15(24)8-6-14)21-18(23(31)32)19(13-3-4-13)28-29(21)2/h5-9,11,13,20H,3-4,10H2,1-2H3/t20-/m1/s1
PDB

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NOVARTIS AG

US Patent


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


US Patent US9624247 (2017)

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


(Homo sapiens (Human))
BDBM318861
PNG
((R)-6-(4-chlorophenyl)-3-cyclopropyl-5-(3,8-dimeth...)
Show SMILES Cc1nnc2c(C)cc(nn12)N1[C@@H](c2c(C1=O)c(nn2C)C1CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H20ClN7O/c1-11-10-16(26-30-12(2)24-25-21(11)30)29-19(14-6-8-15(23)9-7-14)20-17(22(29)31)18(13-4-5-13)27-28(20)3/h6-10,13,19H,4-5H2,1-3H3/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 US9624247 (2017)

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


(Homo sapiens (Human))
BDBM318845
PNG
((R)-6-(4-chlorophenyl)-3-cyclopropyl-5-(3-(difluor...)
Show SMILES Cc1cc(cn2c(nnc12)C(F)F)N1[C@@H](c2c(C1=O)c(nn2C)C1CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H19ClF2N6O/c1-11-9-15(10-31-21(11)27-28-22(31)20(25)26)32-18(13-5-7-14(24)8-6-13)19-16(23(32)33)17(12-3-4-12)29-30(19)2/h5-10,12,18,20H,3-4H2,1-2H3/t18-/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 US9624247 (2017)

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


(Homo sapiens (Human))
BDBM318858
PNG
((R)-6-(4-chlorophenyl)-3-cyclopropyl-5-(3,8-dimeth...)
Show SMILES Cc1nnc2c(C)cc(cn12)N1[C@@H](c2c(C1=O)c(nn2C[C@H](O)C(F)(F)F)C1CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H22ClF3N6O2/c1-12-9-17(10-33-13(2)30-31-23(12)33)35-21(15-5-7-16(26)8-6-15)22-19(24(35)37)20(14-3-4-14)32-34(22)11-18(36)25(27,28)29/h5-10,14,18,21,36H,3-4,11H2,1-2H3/t18-,21+/m0/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 US9624247 (2017)

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


(Homo sapiens (Human))
BDBM318840
PNG
((R)-6-4-chlorophenyl)-3-cyclopropyl-5-(3,8-dimethy...)
Show SMILES CNC1=C(C(=N)C2CC2)C(=O)N([C@@H]1c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1
Show InChI InChI=1S/C23H23ClN6O/c1-12-10-17(11-29-13(2)27-28-22(12)29)30-21(15-6-8-16(24)9-7-15)20(26-3)18(23(30)31)19(25)14-4-5-14/h6-11,14,21,25-26H,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 US9624247 (2017)

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


(Homo sapiens (Human))
BDBM318854
PNG
(6-(4-chlorophenyl)-3-cyclopropyl-5-(3-(fluoromethy...)
Show SMILES Cc1cc(cn2c(CF)nnc12)N1C(c2c(C1=O)c(nn2C)C1CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H20ClFN6O/c1-12-9-16(11-30-17(10-25)26-27-22(12)30)31-20(14-5-7-15(24)8-6-14)21-18(23(31)32)19(13-3-4-13)28-29(21)2/h5-9,11,13,20H,3-4,10H2,1-2H3
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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 US9624247 (2017)

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


(Homo sapiens (Human))
BDBM318845
PNG
((R)-6-(4-chlorophenyl)-3-cyclopropyl-5-(3-(difluor...)
Show SMILES Cc1cc(cn2c(nnc12)C(F)F)N1[C@@H](c2c(C1=O)c(nn2C)C1CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H19ClF2N6O/c1-11-9-15(10-31-21(11)27-28-22(31)20(25)26)32-18(13-5-7-14(24)8-6-13)19-16(23(32)33)17(12-3-4-12)29-30(19)2/h5-10,12,18,20H,3-4H2,1-2H3/t18-/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 US9624247 (2017)

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


(Homo sapiens (Human))
BDBM318858
PNG
((R)-6-(4-chlorophenyl)-3-cyclopropyl-5-(3,8-dimeth...)
Show SMILES Cc1nnc2c(C)cc(cn12)N1[C@@H](c2c(C1=O)c(nn2C[C@H](O)C(F)(F)F)C1CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H22ClF3N6O2/c1-12-9-17(10-33-13(2)30-31-23(12)33)35-21(15-5-7-16(26)8-6-15)22-19(24(35)37)20(14-3-4-14)32-34(22)11-18(36)25(27,28)29/h5-10,14,18,21,36H,3-4,11H2,1-2H3/t18-,21+/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 US9624247 (2017)

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


(Homo sapiens (Human))
BDBM318841
PNG
(6-(4-chlorophenyl)-3-cyclopropyl-5-(3-(difluoromet...)
Show SMILES Cc1cc(cn2c(nnc12)C(F)F)N1C(c2c(C1=O)c(nn2C)C1CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H19ClF2N6O/c1-11-9-15(10-31-21(11)27-28-22(31)20(25)26)32-18(13-5-7-14(24)8-6-13)19-16(23(32)33)17(12-3-4-12)29-30(19)2/h5-10,12,18,20H,3-4H2,1-2H3
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 US9624247 (2017)

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


(Homo sapiens (Human))
BDBM318847
PNG
((R)-6-(4-chlorophenyl)-3-cyclopropyl-5-(1,4-dimeth...)
Show SMILES Cc1cc(cc2n(C)nnc12)N1[C@@H](c2c(C1=O)c(nn2C)C1CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H21ClN6O/c1-12-10-16(11-17-19(12)25-27-28(17)2)30-21(14-6-8-15(24)9-7-14)22-18(23(30)31)20(13-4-5-13)26-29(22)3/h6-11,13,21H,4-5H2,1-3H3/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 US9624247 (2017)

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


(Homo sapiens (Human))
BDBM318847
PNG
((R)-6-(4-chlorophenyl)-3-cyclopropyl-5-(1,4-dimeth...)
Show SMILES Cc1cc(cc2n(C)nnc12)N1[C@@H](c2c(C1=O)c(nn2C)C1CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H21ClN6O/c1-12-10-16(11-17-19(12)25-27-28(17)2)30-21(14-6-8-15(24)9-7-14)22-18(23(30)31)20(13-4-5-13)26-29(22)3/h6-11,13,21H,4-5H2,1-3H3/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 US9624247 (2017)

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


(Homo sapiens (Human))
BDBM318858
PNG
((R)-6-(4-chlorophenyl)-3-cyclopropyl-5-(3,8-dimeth...)
Show SMILES Cc1nnc2c(C)cc(cn12)N1[C@@H](c2c(C1=O)c(nn2C[C@H](O)C(F)(F)F)C1CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H22ClF3N6O2/c1-12-9-17(10-33-13(2)30-31-23(12)33)35-21(15-5-7-16(26)8-6-15)22-19(24(35)37)20(14-3-4-14)32-34(22)11-18(36)25(27,28)29/h5-10,14,18,21,36H,3-4,11H2,1-2H3/t18-,21+/m0/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 US9624247 (2017)

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


(Homo sapiens (Human))
BDBM318854
PNG
(6-(4-chlorophenyl)-3-cyclopropyl-5-(3-(fluoromethy...)
Show SMILES Cc1cc(cn2c(CF)nnc12)N1C(c2c(C1=O)c(nn2C)C1CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H20ClFN6O/c1-12-9-16(11-30-17(10-25)26-27-22(12)30)31-20(14-5-7-15(24)8-6-14)21-18(23(31)32)19(13-3-4-13)28-29(21)2/h5-9,11,13,20H,3-4,10H2,1-2H3
PDB

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NOVARTIS AG

US Patent


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


US Patent US9624247 (2017)

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


(Homo sapiens (Human))
BDBM318853
PNG
((R)-6-(4-chlorophenyl)-3-cyclopropyl-5-(3,8-dimeth...)
Show SMILES COCCn1nc(C2CC2)c2C(=O)N([C@@H](c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1
Show InChI InChI=1S/C25H25ClN6O2/c1-14-12-19(13-30-15(2)27-28-24(14)30)32-22(17-6-8-18(26)9-7-17)23-20(25(32)33)21(16-4-5-16)29-31(23)10-11-34-3/h6-9,12-13,16,22H,4-5,10-11H2,1-3H3/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 US9624247 (2017)

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


(Homo sapiens (Human))
BDBM318854
PNG
(6-(4-chlorophenyl)-3-cyclopropyl-5-(3-(fluoromethy...)
Show SMILES Cc1cc(cn2c(CF)nnc12)N1C(c2c(C1=O)c(nn2C)C1CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H20ClFN6O/c1-12-9-16(11-30-17(10-25)26-27-22(12)30)31-20(14-5-7-15(24)8-6-14)21-18(23(31)32)19(13-3-4-13)28-29(21)2/h5-9,11,13,20H,3-4,10H2,1-2H3
PDB

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NOVARTIS AG

US Patent


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


US Patent US9624247 (2017)

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


(Homo sapiens (Human))
BDBM318859
PNG
(6-(4-chlorophenyl)-3-cyclopropyl-5-(1,4-dimethyl-1...)
Show SMILES Cc1cc(cc2n(C)nnc12)N1C(c2c(C1=O)c(nn2-c1ccnn1C)C1CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H23ClN8O/c1-14-12-18(13-19-22(14)29-31-32(19)2)34-24(16-6-8-17(27)9-7-16)25-21(26(34)36)23(15-4-5-15)30-35(25)20-10-11-28-33(20)3/h6-13,15,24H,4-5H2,1-3H3
PDB

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NOVARTIS AG

US Patent


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


US Patent US9624247 (2017)

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


(Homo sapiens (Human))
BDBM318842
PNG
(6-(4-chlorophenyl)-3-cyclopropyl-5-(3-(difluoromet...)
Show SMILES COCCn1nc(C2CC2)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1
Show InChI InChI=1S/C25H25ClN6O2/c1-14-12-19(13-30-15(2)27-28-24(14)30)32-22(17-6-8-18(26)9-7-17)23-20(25(32)33)21(16-4-5-16)29-31(23)10-11-34-3/h6-9,12-13,16,22H,4-5,10-11H2,1-3H3
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 US9624247 (2017)

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


(Homo sapiens (Human))
BDBM318846
PNG
(6-(4-chlorophenyl)-3-cyclopropyl-5-(1,4-dimethyl-1...)
Show SMILES Cc1cc(cc2n(C)nnc12)N1C(c2c(C1=O)c(nn2C)C1CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H21ClN6O/c1-12-10-16(11-17-19(12)25-27-28(17)2)30-21(14-6-8-15(24)9-7-14)22-18(23(30)31)20(13-4-5-13)26-29(22)3/h6-11,13,21H,4-5H2,1-3H3
PDB

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NOVARTIS AG

US Patent


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


US Patent US9624247 (2017)

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


(Homo sapiens (Human))
BDBM318853
PNG
((R)-6-(4-chlorophenyl)-3-cyclopropyl-5-(3,8-dimeth...)
Show SMILES COCCn1nc(C2CC2)c2C(=O)N([C@@H](c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1
Show InChI InChI=1S/C25H25ClN6O2/c1-14-12-19(13-30-15(2)27-28-24(14)30)32-22(17-6-8-18(26)9-7-17)23-20(25(32)33)21(16-4-5-16)29-31(23)10-11-34-3/h6-9,12-13,16,22H,4-5,10-11H2,1-3H3/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 US9624247 (2017)

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


(Homo sapiens (Human))
BDBM318846
PNG
(6-(4-chlorophenyl)-3-cyclopropyl-5-(1,4-dimethyl-1...)
Show SMILES Cc1cc(cc2n(C)nnc12)N1C(c2c(C1=O)c(nn2C)C1CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H21ClN6O/c1-12-10-16(11-17-19(12)25-27-28(17)2)30-21(14-6-8-15(24)9-7-14)22-18(23(30)31)20(13-4-5-13)26-29(22)3/h6-11,13,21H,4-5H2,1-3H3
PDB

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NOVARTIS AG

US Patent


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


US Patent US9624247 (2017)

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


(Homo sapiens (Human))
BDBM318853
PNG
((R)-6-(4-chlorophenyl)-3-cyclopropyl-5-(3,8-dimeth...)
Show SMILES COCCn1nc(C2CC2)c2C(=O)N([C@@H](c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1
Show InChI InChI=1S/C25H25ClN6O2/c1-14-12-19(13-30-15(2)27-28-24(14)30)32-22(17-6-8-18(26)9-7-17)23-20(25(32)33)21(16-4-5-16)29-31(23)10-11-34-3/h6-9,12-13,16,22H,4-5,10-11H2,1-3H3/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 US9624247 (2017)

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


(Homo sapiens (Human))
BDBM318847
PNG
((R)-6-(4-chlorophenyl)-3-cyclopropyl-5-(1,4-dimeth...)
Show SMILES Cc1cc(cc2n(C)nnc12)N1[C@@H](c2c(C1=O)c(nn2C)C1CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H21ClN6O/c1-12-10-16(11-17-19(12)25-27-28(17)2)30-21(14-6-8-15(24)9-7-14)22-18(23(30)31)20(13-4-5-13)26-29(22)3/h6-11,13,21H,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 US9624247 (2017)

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


(Homo sapiens (Human))
BDBM318864
PNG
(5-(8-amino-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-...)
Show SMILES Cc1nnc2c(N)cc(cn12)N1C(c2c(C1=O)c(nn2C)C1CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H20ClN7O/c1-11-25-26-21-16(24)9-15(10-29(11)21)30-19(13-5-7-14(23)8-6-13)20-17(22(30)31)18(12-3-4-12)27-28(20)2/h5-10,12,19H,3-4,24H2,1-2H3
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 US9624247 (2017)

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


(Homo sapiens (Human))
BDBM318844
PNG
(6-(4-chlorophenyl)-3-cyclopropyl-5-(3-(difluoromet...)
Show SMILES COc1cc(cc2n(C)nnc12)N1C(c2c(C1=O)c(nn2C)C1CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H21ClN6O2/c1-28-16-10-15(11-17(32-3)20(16)25-27-28)30-21(13-6-8-14(24)9-7-13)22-18(23(30)31)19(12-4-5-12)26-29(22)2/h6-12,21H,4-5H2,1-3H3
PDB

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NOVARTIS AG

US Patent


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


US Patent US9624247 (2017)

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


(Homo sapiens (Human))
BDBM318851
PNG
((R)-6-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]tria...)
Show SMILES COc1ncccc1-c1nn(C)c2[C@H](N(C(=O)c12)c1cc(C)c2nnc(C)n2c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H22ClN7O2/c1-14-12-18(13-33-15(2)29-30-24(14)33)34-22(16-7-9-17(27)10-8-16)23-20(26(34)35)21(31-32(23)3)19-6-5-11-28-25(19)36-4/h5-13,22H,1-4H3/t22-/m1/s1
PDB

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NOVARTIS AG

US Patent


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


US Patent US9624247 (2017)

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


(Homo sapiens (Human))
BDBM318865
PNG
(US9624247, Example 29 | ethyl (6-(6-(4-chloropheny...)
Show SMILES CCOC(=O)Nc1cc(cn2c(C)nnc12)N1C(c2c(C1=O)c(nn2C)C1CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H24ClN7O3/c1-4-36-25(35)27-18-11-17(12-32-13(2)28-29-23(18)32)33-21(15-7-9-16(26)10-8-15)22-19(24(33)34)20(14-5-6-14)30-31(22)3/h7-12,14,21H,4-6H2,1-3H3,(H,27,35)
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 US9624247 (2017)

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


(Homo sapiens (Human))
BDBM318859
PNG
(6-(4-chlorophenyl)-3-cyclopropyl-5-(1,4-dimethyl-1...)
Show SMILES Cc1cc(cc2n(C)nnc12)N1C(c2c(C1=O)c(nn2-c1ccnn1C)C1CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H23ClN8O/c1-14-12-18(13-19-22(14)29-31-32(19)2)34-24(16-6-8-17(27)9-7-16)25-21(26(34)36)23(15-4-5-15)30-35(25)20-10-11-28-33(20)3/h6-13,15,24H,4-5H2,1-3H3
PDB

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NOVARTIS AG

US Patent


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


US Patent US9624247 (2017)

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


(Homo sapiens (Human))
BDBM318857
PNG
((R)-6-(4-chlorophenyl)-3-cyclopropyl-5-(3,8-dimeth...)
Show SMILES Cc1nnc2c(C)cc(cn12)N1[C@@H](c2c(C1=O)c(nn2C[C@@H](O)C(F)(F)F)C1CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H22ClF3N6O2/c1-12-9-17(10-33-13(2)30-31-23(12)33)35-21(15-5-7-16(26)8-6-15)22-19(24(35)37)20(14-3-4-14)32-34(22)11-18(36)25(27,28)29/h5-10,14,18,21,36H,3-4,11H2,1-2H3/t18-,21-/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 US9624247 (2017)

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


(Homo sapiens (Human))
BDBM318865
PNG
(US9624247, Example 29 | ethyl (6-(6-(4-chloropheny...)
Show SMILES CCOC(=O)Nc1cc(cn2c(C)nnc12)N1C(c2c(C1=O)c(nn2C)C1CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H24ClN7O3/c1-4-36-25(35)27-18-11-17(12-32-13(2)28-29-23(18)32)33-21(15-7-9-16(26)10-8-15)22-19(24(33)34)20(14-5-6-14)30-31(22)3/h7-12,14,21H,4-6H2,1-3H3,(H,27,35)
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 US9624247 (2017)

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


(Homo sapiens (Human))
BDBM318865
PNG
(US9624247, Example 29 | ethyl (6-(6-(4-chloropheny...)
Show SMILES CCOC(=O)Nc1cc(cn2c(C)nnc12)N1C(c2c(C1=O)c(nn2C)C1CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H24ClN7O3/c1-4-36-25(35)27-18-11-17(12-32-13(2)28-29-23(18)32)33-21(15-7-9-16(26)10-8-15)22-19(24(33)34)20(14-5-6-14)30-31(22)3/h7-12,14,21H,4-6H2,1-3H3,(H,27,35)
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 US9624247 (2017)

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


(Homo sapiens (Human))
BDBM318839
PNG
(6-(4-chlorophenyl)-3-cyclopropyl-5-(3,8-dimethyl-[...)
Show SMILES CNC1=C(C(=N)C2CC2)C(=O)N(C1c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1
Show InChI InChI=1S/C23H23ClN6O/c1-12-10-17(11-29-13(2)27-28-22(12)29)30-21(15-6-8-16(24)9-7-15)20(26-3)18(23(30)31)19(25)14-4-5-14/h6-11,14,21,25-26H,4-5H2,1-3H3
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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 US9624247 (2017)

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


(Homo sapiens (Human))
BDBM318851
PNG
((R)-6-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]tria...)
Show SMILES COc1ncccc1-c1nn(C)c2[C@H](N(C(=O)c12)c1cc(C)c2nnc(C)n2c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H22ClN7O2/c1-14-12-18(13-33-15(2)29-30-24(14)33)34-22(16-7-9-17(27)10-8-16)23-20(26(34)35)21(31-32(23)3)19-6-5-11-28-25(19)36-4/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 US9624247 (2017)

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


(Homo sapiens (Human))
BDBM318862
PNG
(6-(4-chlorophenyl)-3-cyclopropyl-5-(3,8-dimethyl-[...)
Show SMILES Cc1nnc2c(C)cc(nn12)N1C(c2c(C1=O)c(nn2-c1ccnn1C)C1CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H22ClN9O/c1-13-12-18(30-34-14(2)28-29-24(13)34)33-22(16-6-8-17(26)9-7-16)23-20(25(33)36)21(15-4-5-15)31-35(23)19-10-11-27-32(19)3/h6-12,15,22H,4-5H2,1-3H3
PDB

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NOVARTIS AG

US Patent


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


US Patent US9624247 (2017)

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


(Homo sapiens (Human))
BDBM318856
PNG
(6-(4-chlorophenyl)-3-cyclopropyl-5-(3-(fluoromethy...)
Show SMILES COCCn1nc(C2CC2)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(CF)n2c1
Show InChI InChI=1S/C25H24ClFN6O2/c1-14-11-18(13-31-19(12-27)28-29-24(14)31)33-22(16-5-7-17(26)8-6-16)23-20(25(33)34)21(15-3-4-15)30-32(23)9-10-35-2/h5-8,11,13,15,22H,3-4,9-10,12H2,1-2H3
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 US9624247 (2017)

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


(Homo sapiens (Human))
BDBM318844
PNG
(6-(4-chlorophenyl)-3-cyclopropyl-5-(3-(difluoromet...)
Show SMILES COc1cc(cc2n(C)nnc12)N1C(c2c(C1=O)c(nn2C)C1CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H21ClN6O2/c1-28-16-10-15(11-17(32-3)20(16)25-27-28)30-21(13-6-8-14(24)9-7-13)22-18(23(30)31)19(12-4-5-12)26-29(22)2/h6-12,21H,4-5H2,1-3H3
PDB

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NOVARTIS AG

US Patent


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


US Patent US9624247 (2017)

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


(Homo sapiens (Human))
BDBM318862
PNG
(6-(4-chlorophenyl)-3-cyclopropyl-5-(3,8-dimethyl-[...)
Show SMILES Cc1nnc2c(C)cc(nn12)N1C(c2c(C1=O)c(nn2-c1ccnn1C)C1CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H22ClN9O/c1-13-12-18(30-34-14(2)28-29-24(13)34)33-22(16-6-8-17(26)9-7-16)23-20(25(33)36)21(15-4-5-15)31-35(23)19-10-11-27-32(19)3/h6-12,15,22H,4-5H2,1-3H3
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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 US9624247 (2017)

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


(Homo sapiens (Human))
BDBM318857
PNG
((R)-6-(4-chlorophenyl)-3-cyclopropyl-5-(3,8-dimeth...)
Show SMILES Cc1nnc2c(C)cc(cn12)N1[C@@H](c2c(C1=O)c(nn2C[C@@H](O)C(F)(F)F)C1CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H22ClF3N6O2/c1-12-9-17(10-33-13(2)30-31-23(12)33)35-21(15-5-7-16(26)8-6-15)22-19(24(35)37)20(14-3-4-14)32-34(22)11-18(36)25(27,28)29/h5-10,14,18,21,36H,3-4,11H2,1-2H3/t18-,21-/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 US9624247 (2017)

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


(Homo sapiens (Human))
BDBM318856
PNG
(6-(4-chlorophenyl)-3-cyclopropyl-5-(3-(fluoromethy...)
Show SMILES COCCn1nc(C2CC2)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(CF)n2c1
Show InChI InChI=1S/C25H24ClFN6O2/c1-14-11-18(13-31-19(12-27)28-29-24(14)31)33-22(16-5-7-17(26)8-6-16)23-20(25(33)34)21(15-3-4-15)30-32(23)9-10-35-2/h5-8,11,13,15,22H,3-4,9-10,12H2,1-2H3
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 US9624247 (2017)

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


(Homo sapiens (Human))
BDBM318846
PNG
(6-(4-chlorophenyl)-3-cyclopropyl-5-(1,4-dimethyl-1...)
Show SMILES Cc1cc(cc2n(C)nnc12)N1C(c2c(C1=O)c(nn2C)C1CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H21ClN6O/c1-12-10-16(11-17-19(12)25-27-28(17)2)30-21(14-6-8-15(24)9-7-14)22-18(23(30)31)20(13-4-5-13)26-29(22)3/h6-11,13,21H,4-5H2,1-3H3
PDB

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NOVARTIS AG

US Patent


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


US Patent US9624247 (2017)

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


(Homo sapiens (Human))
BDBM318843
PNG
(6-(4-chlorophenyl)-3-cyclopropyl-5-(3-(difluoromet...)
Show SMILES COc1cc(cn2c(C)nnc12)N1C(c2c(C1=O)c(nn2C)C1CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H21ClN6O2/c1-12-25-26-22-17(32-3)10-16(11-29(12)22)30-20(14-6-8-15(24)9-7-14)21-18(23(30)31)19(13-4-5-13)27-28(21)2/h6-11,13,20H,4-5H2,1-3H3
PDB

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NOVARTIS AG

US Patent


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


US Patent US9624247 (2017)

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


(Homo sapiens (Human))
BDBM318857
PNG
((R)-6-(4-chlorophenyl)-3-cyclopropyl-5-(3,8-dimeth...)
Show SMILES Cc1nnc2c(C)cc(cn12)N1[C@@H](c2c(C1=O)c(nn2C[C@@H](O)C(F)(F)F)C1CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H22ClF3N6O2/c1-12-9-17(10-33-13(2)30-31-23(12)33)35-21(15-5-7-16(26)8-6-15)22-19(24(35)37)20(14-3-4-14)32-34(22)11-18(36)25(27,28)29/h5-10,14,18,21,36H,3-4,11H2,1-2H3/t18-,21-/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 US9624247 (2017)

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


(Homo sapiens (Human))
BDBM318839
PNG
(6-(4-chlorophenyl)-3-cyclopropyl-5-(3,8-dimethyl-[...)
Show SMILES CNC1=C(C(=N)C2CC2)C(=O)N(C1c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1
Show InChI InChI=1S/C23H23ClN6O/c1-12-10-17(11-29-13(2)27-28-22(12)29)30-21(15-6-8-16(24)9-7-15)20(26-3)18(23(30)31)19(25)14-4-5-14/h6-11,14,21,25-26H,4-5H2,1-3H3
PDB

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NOVARTIS AG

US Patent


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


US Patent US9624247 (2017)

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


(Homo sapiens (Human))
BDBM318848
PNG
(6-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo...)
Show SMILES COc1ncccc1-c1n[nH]c2C(N(C(=O)c12)C1=CC2C(=NN=[N]2C)C(C)=C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H21ClN7O2/c1-13-11-16(12-18-20(13)30-31-32(18)2)33-23(14-6-8-15(26)9-7-14)22-19(25(33)34)21(28-29-22)17-5-4-10-27-24(17)35-3/h4-12,18,23H,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 US9624247 (2017)

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


(Homo sapiens (Human))
BDBM318852
PNG
((R)-6-(4-chlorophenyl)-3-cyclopropyl-5-(8-methoxy-...)
Show SMILES COc1cc(cn2c(C)nnc12)N1[C@@H](c2c(C1=O)c(nn2C)C1CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H21ClN6O2/c1-12-25-26-22-17(32-3)10-16(11-29(12)22)30-20(14-6-8-15(24)9-7-14)21-18(23(30)31)19(13-4-5-13)27-28(21)2/h6-11,13,20H,4-5H2,1-3H3/t20-/m1/s1
PDB

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NOVARTIS AG

US Patent


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


US Patent US9624247 (2017)

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


(Homo sapiens (Human))
BDBM318839
PNG
(6-(4-chlorophenyl)-3-cyclopropyl-5-(3,8-dimethyl-[...)
Show SMILES CNC1=C(C(=N)C2CC2)C(=O)N(C1c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1
Show InChI InChI=1S/C23H23ClN6O/c1-12-10-17(11-29-13(2)27-28-22(12)29)30-21(15-6-8-16(24)9-7-15)20(26-3)18(23(30)31)19(25)14-4-5-14/h6-11,14,21,25-26H,4-5H2,1-3H3
PDB

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NOVARTIS AG

US Patent


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


US Patent US9624247 (2017)

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


(Homo sapiens (Human))
BDBM318859
PNG
(6-(4-chlorophenyl)-3-cyclopropyl-5-(1,4-dimethyl-1...)
Show SMILES Cc1cc(cc2n(C)nnc12)N1C(c2c(C1=O)c(nn2-c1ccnn1C)C1CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H23ClN8O/c1-14-12-18(13-19-22(14)29-31-32(19)2)34-24(16-6-8-17(27)9-7-16)25-21(26(34)36)23(15-4-5-15)30-35(25)20-10-11-28-33(20)3/h6-13,15,24H,4-5H2,1-3H3
PDB

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NOVARTIS AG

US Patent


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


US Patent US9624247 (2017)

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


(Homo sapiens (Human))
BDBM318850
PNG
(6-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo...)
Show SMILES COc1ncccc1-c1nn(C)c2C(N(C(=O)c12)c1cc(C)c2nnc(C)n2c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H22ClN7O2/c1-14-12-18(13-33-15(2)29-30-24(14)33)34-22(16-7-9-17(27)10-8-16)23-20(26(34)35)21(31-32(23)3)19-6-5-11-28-25(19)36-4/h5-13,22H,1-4H3
PDB

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NOVARTIS AG

US Patent


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


US Patent US9624247 (2017)

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


(Homo sapiens (Human))
BDBM318850
PNG
(6-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo...)
Show SMILES COc1ncccc1-c1nn(C)c2C(N(C(=O)c12)c1cc(C)c2nnc(C)n2c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H22ClN7O2/c1-14-12-18(13-33-15(2)29-30-24(14)33)34-22(16-7-9-17(27)10-8-16)23-20(26(34)35)21(31-32(23)3)19-6-5-11-28-25(19)36-4/h5-13,22H,1-4H3
PDB

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NOVARTIS AG

US Patent


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


US Patent US9624247 (2017)

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


(Homo sapiens (Human))
BDBM318862
PNG
(6-(4-chlorophenyl)-3-cyclopropyl-5-(3,8-dimethyl-[...)
Show SMILES Cc1nnc2c(C)cc(nn12)N1C(c2c(C1=O)c(nn2-c1ccnn1C)C1CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H22ClN9O/c1-13-12-18(30-34-14(2)28-29-24(13)34)33-22(16-6-8-17(26)9-7-16)23-20(25(33)36)21(15-4-5-15)31-35(23)19-10-11-27-32(19)3/h6-12,15,22H,4-5H2,1-3H3
PDB

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NOVARTIS AG

US Patent


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


US Patent US9624247 (2017)

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


(Homo sapiens (Human))
BDBM318856
PNG
(6-(4-chlorophenyl)-3-cyclopropyl-5-(3-(fluoromethy...)
Show SMILES COCCn1nc(C2CC2)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(CF)n2c1
Show InChI InChI=1S/C25H24ClFN6O2/c1-14-11-18(13-31-19(12-27)28-29-24(14)31)33-22(16-5-7-17(26)8-6-16)23-20(25(33)34)21(15-3-4-15)30-32(23)9-10-35-2/h5-8,11,13,15,22H,3-4,9-10,12H2,1-2H3
PDB

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n/an/a 33n/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 US9624247 (2017)

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


(Homo sapiens (Human))
BDBM318851
PNG
((R)-6-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]tria...)
Show SMILES COc1ncccc1-c1nn(C)c2[C@H](N(C(=O)c12)c1cc(C)c2nnc(C)n2c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H22ClN7O2/c1-14-12-18(13-33-15(2)29-30-24(14)33)34-22(16-7-9-17(27)10-8-16)23-20(26(34)35)21(31-32(23)3)19-6-5-11-28-25(19)36-4/h5-13,22H,1-4H3/t22-/m1/s1
PDB

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NOVARTIS AG

US Patent


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


US Patent US9624247 (2017)

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


(Homo sapiens (Human))
BDBM318864
PNG
(5-(8-amino-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-...)
Show SMILES Cc1nnc2c(N)cc(cn12)N1C(c2c(C1=O)c(nn2C)C1CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H20ClN7O/c1-11-25-26-21-16(24)9-15(10-29(11)21)30-19(13-5-7-14(23)8-6-13)20-17(22(30)31)18(12-3-4-12)27-28(20)2/h5-10,12,19H,3-4,24H2,1-2H3
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 US9624247 (2017)

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


(Homo sapiens (Human))
BDBM318863
PNG
(US9624247, Example 27 | tert-butyl (6-(6-(4-chloro...)
Show SMILES Cc1nnc2c(NC(=O)OC(C)(C)C)cc(cn12)N1C(c2c(C1=O)c(nn2C)C1CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C27H28ClN7O3/c1-14-30-31-24-19(29-26(37)38-27(2,3)4)12-18(13-34(14)24)35-22(16-8-10-17(28)11-9-16)23-20(25(35)36)21(15-6-7-15)32-33(23)5/h8-13,15,22H,6-7H2,1-5H3,(H,29,37)
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 US9624247 (2017)

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


(Homo sapiens (Human))
BDBM318849
PNG
((R)-6-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]tria...)
Show SMILES COc1ncccc1-c1n[nH]c2[C@H](N(C(=O)c12)c1cc(C)c2nnc(C)n2c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H20ClN7O2/c1-13-11-17(12-32-14(2)28-31-23(13)32)33-22(15-6-8-16(26)9-7-15)21-19(25(33)34)20(29-30-21)18-5-4-10-27-24(18)35-3/h4-12,22H,1-3H3,(H,29,30)/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 US9624247 (2017)

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


(Homo sapiens (Human))
BDBM318844
PNG
(6-(4-chlorophenyl)-3-cyclopropyl-5-(3-(difluoromet...)
Show SMILES COc1cc(cc2n(C)nnc12)N1C(c2c(C1=O)c(nn2C)C1CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H21ClN6O2/c1-28-16-10-15(11-17(32-3)20(16)25-27-28)30-21(13-6-8-14(24)9-7-13)22-18(23(30)31)19(12-4-5-12)26-29(22)2/h6-12,21H,4-5H2,1-3H3
PDB

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NOVARTIS AG

US Patent


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


US Patent US9624247 (2017)

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


(Homo sapiens (Human))
BDBM318864
PNG
(5-(8-amino-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-...)
Show SMILES Cc1nnc2c(N)cc(cn12)N1C(c2c(C1=O)c(nn2C)C1CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H20ClN7O/c1-11-25-26-21-16(24)9-15(10-29(11)21)30-19(13-5-7-14(23)8-6-13)20-17(22(30)31)18(12-3-4-12)27-28(20)2/h5-10,12,19H,3-4,24H2,1-2H3
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 US9624247 (2017)

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


(Homo sapiens (Human))
BDBM318850
PNG
(6-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo...)
Show SMILES COc1ncccc1-c1nn(C)c2C(N(C(=O)c12)c1cc(C)c2nnc(C)n2c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H22ClN7O2/c1-14-12-18(13-33-15(2)29-30-24(14)33)34-22(16-7-9-17(27)10-8-16)23-20(26(34)35)21(31-32(23)3)19-6-5-11-28-25(19)36-4/h5-13,22H,1-4H3
PDB

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NOVARTIS AG

US Patent


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


US Patent US9624247 (2017)

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


(Homo sapiens (Human))
BDBM318849
PNG
((R)-6-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]tria...)
Show SMILES COc1ncccc1-c1n[nH]c2[C@H](N(C(=O)c12)c1cc(C)c2nnc(C)n2c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H20ClN7O2/c1-13-11-17(12-32-14(2)28-31-23(13)32)33-22(15-6-8-16(26)9-7-15)21-19(25(33)34)20(29-30-21)18-5-4-10-27-24(18)35-3/h4-12,22H,1-3H3,(H,29,30)/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 US9624247 (2017)

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


(Homo sapiens (Human))
BDBM318843
PNG
(6-(4-chlorophenyl)-3-cyclopropyl-5-(3-(difluoromet...)
Show SMILES COc1cc(cn2c(C)nnc12)N1C(c2c(C1=O)c(nn2C)C1CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H21ClN6O2/c1-12-25-26-22-17(32-3)10-16(11-29(12)22)30-20(14-6-8-15(24)9-7-14)21-18(23(30)31)19(13-4-5-13)27-28(21)2/h6-11,13,20H,4-5H2,1-3H3
PDB

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NOVARTIS AG

US Patent


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


US Patent US9624247 (2017)

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


(Homo sapiens (Human))
BDBM318848
PNG
(6-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo...)
Show SMILES COc1ncccc1-c1n[nH]c2C(N(C(=O)c12)C1=CC2C(=NN=[N]2C)C(C)=C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H21ClN7O2/c1-13-11-16(12-18-20(13)30-31-32(18)2)33-23(14-6-8-15(26)9-7-14)22-19(25(33)34)21(28-29-22)17-5-4-10-27-24(17)35-3/h4-12,18,23H,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 US9624247 (2017)

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


(Homo sapiens (Human))
BDBM318849
PNG
((R)-6-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]tria...)
Show SMILES COc1ncccc1-c1n[nH]c2[C@H](N(C(=O)c12)c1cc(C)c2nnc(C)n2c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H20ClN7O2/c1-13-11-17(12-32-14(2)28-31-23(13)32)33-22(15-6-8-16(26)9-7-15)21-19(25(33)34)20(29-30-21)18-5-4-10-27-24(18)35-3/h4-12,22H,1-3H3,(H,29,30)/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 US9624247 (2017)

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


(Homo sapiens (Human))
BDBM318863
PNG
(US9624247, Example 27 | tert-butyl (6-(6-(4-chloro...)
Show SMILES Cc1nnc2c(NC(=O)OC(C)(C)C)cc(cn12)N1C(c2c(C1=O)c(nn2C)C1CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C27H28ClN7O3/c1-14-30-31-24-19(29-26(37)38-27(2,3)4)12-18(13-34(14)24)35-22(16-8-10-17(28)11-9-16)23-20(25(35)36)21(15-6-7-15)32-33(23)5/h8-13,15,22H,6-7H2,1-5H3,(H,29,37)
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 US9624247 (2017)

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


(Homo sapiens (Human))
BDBM318848
PNG
(6-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo...)
Show SMILES COc1ncccc1-c1n[nH]c2C(N(C(=O)c12)C1=CC2C(=NN=[N]2C)C(C)=C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H21ClN7O2/c1-13-11-16(12-18-20(13)30-31-32(18)2)33-23(14-6-8-15(26)9-7-14)22-19(25(33)34)21(28-29-22)17-5-4-10-27-24(17)35-3/h4-12,18,23H,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 US9624247 (2017)

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


(Homo sapiens (Human))
BDBM318843
PNG
(6-(4-chlorophenyl)-3-cyclopropyl-5-(3-(difluoromet...)
Show SMILES COc1cc(cn2c(C)nnc12)N1C(c2c(C1=O)c(nn2C)C1CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H21ClN6O2/c1-12-25-26-22-17(32-3)10-16(11-29(12)22)30-20(14-6-8-15(24)9-7-14)21-18(23(30)31)19(13-4-5-13)27-28(21)2/h6-11,13,20H,4-5H2,1-3H3
PDB

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NOVARTIS AG

US Patent


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


US Patent US9624247 (2017)

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


(Homo sapiens (Human))
BDBM318852
PNG
((R)-6-(4-chlorophenyl)-3-cyclopropyl-5-(8-methoxy-...)
Show SMILES COc1cc(cn2c(C)nnc12)N1[C@@H](c2c(C1=O)c(nn2C)C1CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H21ClN6O2/c1-12-25-26-22-17(32-3)10-16(11-29(12)22)30-20(14-6-8-15(24)9-7-14)21-18(23(30)31)19(13-4-5-13)27-28(21)2/h6-11,13,20H,4-5H2,1-3H3/t20-/m1/s1
PDB

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NOVARTIS AG

US Patent


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


US Patent US9624247 (2017)

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


(Homo sapiens (Human))
BDBM318852
PNG
((R)-6-(4-chlorophenyl)-3-cyclopropyl-5-(8-methoxy-...)
Show SMILES COc1cc(cn2c(C)nnc12)N1[C@@H](c2c(C1=O)c(nn2C)C1CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H21ClN6O2/c1-12-25-26-22-17(32-3)10-16(11-29(12)22)30-20(14-6-8-15(24)9-7-14)21-18(23(30)31)19(13-4-5-13)27-28(21)2/h6-11,13,20H,4-5H2,1-3H3/t20-/m1/s1
PDB

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NOVARTIS AG

US Patent


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


US Patent US9624247 (2017)

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


(Homo sapiens (Human))
BDBM318863
PNG
(US9624247, Example 27 | tert-butyl (6-(6-(4-chloro...)
Show SMILES Cc1nnc2c(NC(=O)OC(C)(C)C)cc(cn12)N1C(c2c(C1=O)c(nn2C)C1CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C27H28ClN7O3/c1-14-30-31-24-19(29-26(37)38-27(2,3)4)12-18(13-34(14)24)35-22(16-8-10-17(28)11-9-16)23-20(25(35)36)21(15-6-7-15)32-33(23)5/h8-13,15,22H,6-7H2,1-5H3,(H,29,37)
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 US9624247 (2017)

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


(Homo sapiens (Human))
BDBM318860
PNG
(6-(4-chlorophenyl)-3-cyclopropyl-5-(3-(difluoromet...)
Show SMILES COc1cc(cn2c(nnc12)C(F)F)N1C(c2c(C1=O)c(nn2C)C1CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H19ClF2N6O2/c1-30-19-16(17(29-30)11-3-4-11)23(33)32(18(19)12-5-7-13(24)8-6-12)14-9-15(34-2)21-27-28-22(20(25)26)31(21)10-14/h5-11,18,20H,3-4H2,1-2H3
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 US9624247 (2017)

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


(Homo sapiens (Human))
BDBM318860
PNG
(6-(4-chlorophenyl)-3-cyclopropyl-5-(3-(difluoromet...)
Show SMILES COc1cc(cn2c(nnc12)C(F)F)N1C(c2c(C1=O)c(nn2C)C1CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H19ClF2N6O2/c1-30-19-16(17(29-30)11-3-4-11)23(33)32(18(19)12-5-7-13(24)8-6-12)14-9-15(34-2)21-27-28-22(20(25)26)31(21)10-14/h5-11,18,20H,3-4H2,1-2H3
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 US9624247 (2017)

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


(Homo sapiens (Human))
BDBM318860
PNG
(6-(4-chlorophenyl)-3-cyclopropyl-5-(3-(difluoromet...)
Show SMILES COc1cc(cn2c(nnc12)C(F)F)N1C(c2c(C1=O)c(nn2C)C1CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H19ClF2N6O2/c1-30-19-16(17(29-30)11-3-4-11)23(33)32(18(19)12-5-7-13(24)8-6-12)14-9-15(34-2)21-27-28-22(20(25)26)31(21)10-14/h5-11,18,20H,3-4H2,1-2H3
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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 US9624247 (2017)

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


(Homo sapiens (human))
BDBM318847
PNG
((R)-6-(4-chlorophenyl)-3-cyclopropyl-5-(1,4-dimeth...)
Show SMILES Cc1cc(cc2n(C)nnc12)N1[C@@H](c2c(C1=O)c(nn2C)C1CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H21ClN6O/c1-12-10-16(11-17-19(12)25-27-28(17)2)30-21(14-6-8-15(24)9-7-14)22-18(23(30)31)20(13-4-5-13)26-29(22)3/h6-11,13,21H,4-5H2,1-3H3/t21-/m1/s1
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n/an/a 3.20E+3n/an/an/an/an/an/a



NOVARTIS AG

US Patent


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


US Patent US9624247 (2017)

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


(Homo sapiens (human))
BDBM318864
PNG
(5-(8-amino-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-...)
Show SMILES Cc1nnc2c(N)cc(cn12)N1C(c2c(C1=O)c(nn2C)C1CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H20ClN7O/c1-11-25-26-21-16(24)9-15(10-29(11)21)30-19(13-5-7-14(23)8-6-13)20-17(22(30)31)18(12-3-4-12)27-28(20)2/h5-10,12,19H,3-4,24H2,1-2H3
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n/an/a 3.70E+3n/an/an/an/an/an/a



NOVARTIS AG

US Patent


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


US Patent US9624247 (2017)

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


(Homo sapiens (human))
BDBM318846
PNG
(6-(4-chlorophenyl)-3-cyclopropyl-5-(1,4-dimethyl-1...)
Show SMILES Cc1cc(cc2n(C)nnc12)N1C(c2c(C1=O)c(nn2C)C1CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H21ClN6O/c1-12-10-16(11-17-19(12)25-27-28(17)2)30-21(14-6-8-15(24)9-7-14)22-18(23(30)31)20(13-4-5-13)26-29(22)3/h6-11,13,21H,4-5H2,1-3H3
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n/an/a 4.80E+3n/an/an/an/an/an/a



NOVARTIS AG

US Patent


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


US Patent US9624247 (2017)

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


(Homo sapiens (human))
BDBM318851
PNG
((R)-6-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]tria...)
Show SMILES COc1ncccc1-c1nn(C)c2[C@H](N(C(=O)c12)c1cc(C)c2nnc(C)n2c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H22ClN7O2/c1-14-12-18(13-33-15(2)29-30-24(14)33)34-22(16-7-9-17(27)10-8-16)23-20(26(34)35)21(31-32(23)3)19-6-5-11-28-25(19)36-4/h5-13,22H,1-4H3/t22-/m1/s1
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NOVARTIS AG

US Patent


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


US Patent US9624247 (2017)

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


(Homo sapiens (human))
BDBM318840
PNG
((R)-6-4-chlorophenyl)-3-cyclopropyl-5-(3,8-dimethy...)
Show SMILES CNC1=C(C(=N)C2CC2)C(=O)N([C@@H]1c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1
Show InChI InChI=1S/C23H23ClN6O/c1-12-10-17(11-29-13(2)27-28-22(12)29)30-21(15-6-8-16(24)9-7-15)20(26-3)18(23(30)31)19(25)14-4-5-14/h6-11,14,21,25-26H,4-5H2,1-3H3/t21-/m1/s1
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NOVARTIS AG

US Patent


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


US Patent US9624247 (2017)

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


(Homo sapiens (human))
BDBM318853
PNG
((R)-6-(4-chlorophenyl)-3-cyclopropyl-5-(3,8-dimeth...)
Show SMILES COCCn1nc(C2CC2)c2C(=O)N([C@@H](c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1
Show InChI InChI=1S/C25H25ClN6O2/c1-14-12-19(13-30-15(2)27-28-24(14)30)32-22(17-6-8-18(26)9-7-17)23-20(25(32)33)21(16-4-5-16)29-31(23)10-11-34-3/h6-9,12-13,16,22H,4-5,10-11H2,1-3H3/t22-/m1/s1
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NOVARTIS AG

US Patent


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


US Patent US9624247 (2017)

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


(Homo sapiens (human))
BDBM318859
PNG
(6-(4-chlorophenyl)-3-cyclopropyl-5-(1,4-dimethyl-1...)
Show SMILES Cc1cc(cc2n(C)nnc12)N1C(c2c(C1=O)c(nn2-c1ccnn1C)C1CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H23ClN8O/c1-14-12-18(13-19-22(14)29-31-32(19)2)34-24(16-6-8-17(27)9-7-16)25-21(26(34)36)23(15-4-5-15)30-35(25)20-10-11-28-33(20)3/h6-13,15,24H,4-5H2,1-3H3
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NOVARTIS AG

US Patent


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


US Patent US9624247 (2017)

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


(Homo sapiens (human))
BDBM318842
PNG
(6-(4-chlorophenyl)-3-cyclopropyl-5-(3-(difluoromet...)
Show SMILES COCCn1nc(C2CC2)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1
Show InChI InChI=1S/C25H25ClN6O2/c1-14-12-19(13-30-15(2)27-28-24(14)30)32-22(17-6-8-18(26)9-7-17)23-20(25(32)33)21(16-4-5-16)29-31(23)10-11-34-3/h6-9,12-13,16,22H,4-5,10-11H2,1-3H3
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NOVARTIS AG

US Patent


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


US Patent US9624247 (2017)

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


(Homo sapiens (human))
BDBM318858
PNG
((R)-6-(4-chlorophenyl)-3-cyclopropyl-5-(3,8-dimeth...)
Show SMILES Cc1nnc2c(C)cc(cn12)N1[C@@H](c2c(C1=O)c(nn2C[C@H](O)C(F)(F)F)C1CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H22ClF3N6O2/c1-12-9-17(10-33-13(2)30-31-23(12)33)35-21(15-5-7-16(26)8-6-15)22-19(24(35)37)20(14-3-4-14)32-34(22)11-18(36)25(27,28)29/h5-10,14,18,21,36H,3-4,11H2,1-2H3/t18-,21+/m0/s1
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NOVARTIS AG

US Patent


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


US Patent US9624247 (2017)

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


(Homo sapiens (human))
BDBM318863
PNG
(US9624247, Example 27 | tert-butyl (6-(6-(4-chloro...)
Show SMILES Cc1nnc2c(NC(=O)OC(C)(C)C)cc(cn12)N1C(c2c(C1=O)c(nn2C)C1CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C27H28ClN7O3/c1-14-30-31-24-19(29-26(37)38-27(2,3)4)12-18(13-34(14)24)35-22(16-8-10-17(28)11-9-16)23-20(25(35)36)21(15-6-7-15)32-33(23)5/h8-13,15,22H,6-7H2,1-5H3,(H,29,37)
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NOVARTIS AG

US Patent


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


US Patent US9624247 (2017)

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


(Homo sapiens (human))
BDBM318857
PNG
((R)-6-(4-chlorophenyl)-3-cyclopropyl-5-(3,8-dimeth...)
Show SMILES Cc1nnc2c(C)cc(cn12)N1[C@@H](c2c(C1=O)c(nn2C[C@@H](O)C(F)(F)F)C1CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H22ClF3N6O2/c1-12-9-17(10-33-13(2)30-31-23(12)33)35-21(15-5-7-16(26)8-6-15)22-19(24(35)37)20(14-3-4-14)32-34(22)11-18(36)25(27,28)29/h5-10,14,18,21,36H,3-4,11H2,1-2H3/t18-,21-/m1/s1
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NOVARTIS AG

US Patent


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


US Patent US9624247 (2017)

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


(Homo sapiens (human))
BDBM318855
PNG
((R)-6-(4-chlorophenyl)-3-cyclopropyl-5-(3-(fluorom...)
Show SMILES Cc1cc(cn2c(CF)nnc12)N1[C@@H](c2c(C1=O)c(nn2C)C1CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H20ClFN6O/c1-12-9-16(11-30-17(10-25)26-27-22(12)30)31-20(14-5-7-15(24)8-6-14)21-18(23(31)32)19(13-3-4-13)28-29(21)2/h5-9,11,13,20H,3-4,10H2,1-2H3/t20-/m1/s1
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NOVARTIS AG

US Patent


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


US Patent US9624247 (2017)

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


(Homo sapiens (human))
BDBM318839
PNG
(6-(4-chlorophenyl)-3-cyclopropyl-5-(3,8-dimethyl-[...)
Show SMILES CNC1=C(C(=N)C2CC2)C(=O)N(C1c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1
Show InChI InChI=1S/C23H23ClN6O/c1-12-10-17(11-29-13(2)27-28-22(12)29)30-21(15-6-8-16(24)9-7-15)20(26-3)18(23(30)31)19(25)14-4-5-14/h6-11,14,21,25-26H,4-5H2,1-3H3
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n/an/a 1.14E+4n/an/an/an/an/an/a



NOVARTIS AG

US Patent


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


US Patent US9624247 (2017)

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


(Homo sapiens (human))
BDBM318850
PNG
(6-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo...)
Show SMILES COc1ncccc1-c1nn(C)c2C(N(C(=O)c12)c1cc(C)c2nnc(C)n2c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H22ClN7O2/c1-14-12-18(13-33-15(2)29-30-24(14)33)34-22(16-7-9-17(27)10-8-16)23-20(26(34)35)21(31-32(23)3)19-6-5-11-28-25(19)36-4/h5-13,22H,1-4H3
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n/an/a 1.22E+4n/an/an/an/an/an/a



NOVARTIS AG

US Patent


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


US Patent US9624247 (2017)

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


(Homo sapiens (human))
BDBM318861
PNG
((R)-6-(4-chlorophenyl)-3-cyclopropyl-5-(3,8-dimeth...)
Show SMILES Cc1nnc2c(C)cc(nn12)N1[C@@H](c2c(C1=O)c(nn2C)C1CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H20ClN7O/c1-11-10-16(26-30-12(2)24-25-21(11)30)29-19(14-6-8-15(23)9-7-14)20-17(22(29)31)18(13-4-5-13)27-28(20)3/h6-10,13,19H,4-5H2,1-3H3/t19-/m1/s1
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NOVARTIS AG

US Patent


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


US Patent US9624247 (2017)

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


(Homo sapiens (human))
BDBM318844
PNG
(6-(4-chlorophenyl)-3-cyclopropyl-5-(3-(difluoromet...)
Show SMILES COc1cc(cc2n(C)nnc12)N1C(c2c(C1=O)c(nn2C)C1CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H21ClN6O2/c1-28-16-10-15(11-17(32-3)20(16)25-27-28)30-21(13-6-8-14(24)9-7-13)22-18(23(30)31)19(12-4-5-12)26-29(22)2/h6-12,21H,4-5H2,1-3H3
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NOVARTIS AG

US Patent


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


US Patent US9624247 (2017)

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


(Homo sapiens (human))
BDBM318852
PNG
((R)-6-(4-chlorophenyl)-3-cyclopropyl-5-(8-methoxy-...)
Show SMILES COc1cc(cn2c(C)nnc12)N1[C@@H](c2c(C1=O)c(nn2C)C1CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H21ClN6O2/c1-12-25-26-22-17(32-3)10-16(11-29(12)22)30-20(14-6-8-15(24)9-7-14)21-18(23(30)31)19(13-4-5-13)27-28(21)2/h6-11,13,20H,4-5H2,1-3H3/t20-/m1/s1
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n/an/a 2.75E+4n/an/an/an/an/an/a



NOVARTIS AG

US Patent


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


US Patent US9624247 (2017)

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


(Homo sapiens (human))
BDBM318856
PNG
(6-(4-chlorophenyl)-3-cyclopropyl-5-(3-(fluoromethy...)
Show SMILES COCCn1nc(C2CC2)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(CF)n2c1
Show InChI InChI=1S/C25H24ClFN6O2/c1-14-11-18(13-31-19(12-27)28-29-24(14)31)33-22(16-5-7-17(26)8-6-16)23-20(25(33)34)21(15-3-4-15)30-32(23)9-10-35-2/h5-8,11,13,15,22H,3-4,9-10,12H2,1-2H3
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NOVARTIS AG

US Patent


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


US Patent US9624247 (2017)

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


(Homo sapiens (human))
BDBM318854
PNG
(6-(4-chlorophenyl)-3-cyclopropyl-5-(3-(fluoromethy...)
Show SMILES Cc1cc(cn2c(CF)nnc12)N1C(c2c(C1=O)c(nn2C)C1CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H20ClFN6O/c1-12-9-16(11-30-17(10-25)26-27-22(12)30)31-20(14-5-7-15(24)8-6-14)21-18(23(31)32)19(13-3-4-13)28-29(21)2/h5-9,11,13,20H,3-4,10H2,1-2H3
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NOVARTIS AG

US Patent


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


US Patent US9624247 (2017)

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


(Homo sapiens (human))
BDBM318843
PNG
(6-(4-chlorophenyl)-3-cyclopropyl-5-(3-(difluoromet...)
Show SMILES COc1cc(cn2c(C)nnc12)N1C(c2c(C1=O)c(nn2C)C1CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H21ClN6O2/c1-12-25-26-22-17(32-3)10-16(11-29(12)22)30-20(14-6-8-15(24)9-7-14)21-18(23(30)31)19(13-4-5-13)27-28(21)2/h6-11,13,20H,4-5H2,1-3H3
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n/an/a>3.70E+4n/an/an/an/an/an/a



NOVARTIS AG

US Patent


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


US Patent US9624247 (2017)

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


(Homo sapiens (human))
BDBM318849
PNG
((R)-6-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]tria...)
Show SMILES COc1ncccc1-c1n[nH]c2[C@H](N(C(=O)c12)c1cc(C)c2nnc(C)n2c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H20ClN7O2/c1-13-11-17(12-32-14(2)28-31-23(13)32)33-22(15-6-8-16(26)9-7-15)21-19(25(33)34)20(29-30-21)18-5-4-10-27-24(18)35-3/h4-12,22H,1-3H3,(H,29,30)/t22-/m1/s1
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NOVARTIS AG

US Patent


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


US Patent US9624247 (2017)

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


(Homo sapiens (human))
BDBM318841
PNG
(6-(4-chlorophenyl)-3-cyclopropyl-5-(3-(difluoromet...)
Show SMILES Cc1cc(cn2c(nnc12)C(F)F)N1C(c2c(C1=O)c(nn2C)C1CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H19ClF2N6O/c1-11-9-15(10-31-21(11)27-28-22(31)20(25)26)32-18(13-5-7-14(24)8-6-13)19-16(23(32)33)17(12-3-4-12)29-30(19)2/h5-10,12,18,20H,3-4H2,1-2H3
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n/an/a>3.70E+4n/an/an/an/an/an/a



NOVARTIS AG

US Patent


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


US Patent US9624247 (2017)

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


(Homo sapiens (human))
BDBM318860
PNG
(6-(4-chlorophenyl)-3-cyclopropyl-5-(3-(difluoromet...)
Show SMILES COc1cc(cn2c(nnc12)C(F)F)N1C(c2c(C1=O)c(nn2C)C1CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H19ClF2N6O2/c1-30-19-16(17(29-30)11-3-4-11)23(33)32(18(19)12-5-7-13(24)8-6-12)14-9-15(34-2)21-27-28-22(20(25)26)31(21)10-14/h5-11,18,20H,3-4H2,1-2H3
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NOVARTIS AG

US Patent


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


US Patent US9624247 (2017)

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


(Homo sapiens (human))
BDBM318848
PNG
(6-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo...)
Show SMILES COc1ncccc1-c1n[nH]c2C(N(C(=O)c12)C1=CC2C(=NN=[N]2C)C(C)=C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H21ClN7O2/c1-13-11-16(12-18-20(13)30-31-32(18)2)33-23(14-6-8-15(26)9-7-14)22-19(25(33)34)21(28-29-22)17-5-4-10-27-24(17)35-3/h4-12,18,23H,1-3H3,(H,28,29)
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NOVARTIS AG

US Patent


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


US Patent US9624247 (2017)

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


(Homo sapiens (human))
BDBM318862
PNG
(6-(4-chlorophenyl)-3-cyclopropyl-5-(3,8-dimethyl-[...)
Show SMILES Cc1nnc2c(C)cc(nn12)N1C(c2c(C1=O)c(nn2-c1ccnn1C)C1CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H22ClN9O/c1-13-12-18(30-34-14(2)28-29-24(13)34)33-22(16-6-8-17(26)9-7-16)23-20(25(33)36)21(15-4-5-15)31-35(23)19-10-11-27-32(19)3/h6-12,15,22H,4-5H2,1-3H3
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NOVARTIS AG

US Patent


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


US Patent US9624247 (2017)

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


(Homo sapiens (human))
BDBM318845
PNG
((R)-6-(4-chlorophenyl)-3-cyclopropyl-5-(3-(difluor...)
Show SMILES Cc1cc(cn2c(nnc12)C(F)F)N1[C@@H](c2c(C1=O)c(nn2C)C1CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H19ClF2N6O/c1-11-9-15(10-31-21(11)27-28-22(31)20(25)26)32-18(13-5-7-14(24)8-6-13)19-16(23(32)33)17(12-3-4-12)29-30(19)2/h5-10,12,18,20H,3-4H2,1-2H3/t18-/m1/s1
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NOVARTIS AG

US Patent


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


US Patent US9624247 (2017)

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