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Compile Data Set for Download or QSAR

Found 346 hits of ph data with Target = 'Bromodomain-containing protein 3'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM150054
PNG
(US8975417, 114)
Show SMILES Cc1nn(-c2ccnn2C)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2n1
Show InChI InChI=1S/C23H20ClN9O/c1-12-11-17(29-32-14(3)26-27-22(12)32)31-20(15-5-7-16(24)8-6-15)19-13(2)28-33(21(19)23(31)34)18-9-10-25-30(18)4/h5-11,20H,1-4H3
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US Patent
n/an/a 37n/an/an/an/a7.530



Novartis AG

US Patent


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


US Patent US8975417 (2015)


BindingDB Entry DOI: 10.7270/Q2NK3CRX
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM150055
PNG
(US8975417, 115)
Show SMILES CCn1nc2C(=O)N(C(c2c1C)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1
Show InChI InChI=1S/C22H21ClN6O/c1-5-28-13(3)18-19(26-28)22(30)29(20(18)15-6-8-16(23)9-7-15)17-10-12(2)21-25-24-14(4)27(21)11-17/h6-11,20H,5H2,1-4H3
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US Patent
n/an/a 46n/an/an/an/a7.530



Novartis AG

US Patent


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


US Patent US8975417 (2015)


BindingDB Entry DOI: 10.7270/Q2NK3CRX
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM150056
PNG
(US8975417, 116)
Show SMILES CCn1nc(C)c2C(N(C(=O)c12)c1cc(C)c2nnc(C)n2c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H21ClN6O/c1-5-28-20-18(13(3)26-28)19(15-6-8-16(23)9-7-15)29(22(20)30)17-10-12(2)21-25-24-14(4)27(21)11-17/h6-11,19H,5H2,1-4H3
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US Patent
n/an/a 32n/an/an/an/a7.530



Novartis AG

US Patent


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


US Patent US8975417 (2015)


BindingDB Entry DOI: 10.7270/Q2NK3CRX
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM150057
PNG
(US8975417, 117)
Show SMILES Cc1nnc2c(C)cc(cn12)N1C(c2c(nn(-c3ccnn3C)c2C1=O)C1CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H23ClN8O/c1-14-12-19(13-33-15(2)29-30-25(14)33)34-23(17-6-8-18(27)9-7-17)21-22(16-4-5-16)31-35(24(21)26(34)36)20-10-11-28-32(20)3/h6-13,16,23H,4-5H2,1-3H3
PDB

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n/an/a 38n/an/an/an/a7.530



Novartis AG

US Patent


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


US Patent US8975417 (2015)


BindingDB Entry DOI: 10.7270/Q2NK3CRX
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM150058
PNG
(US8975417, 118)
Show SMILES Cc1nn(C2CC2)c2C(=O)N([C@H](c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1
Show InChI InChI=1S/C23H21ClN6O/c1-12-10-18(11-28-14(3)25-26-22(12)28)29-20(15-4-6-16(24)7-5-15)19-13(2)27-30(17-8-9-17)21(19)23(29)31/h4-7,10-11,17,20H,8-9H2,1-3H3/t20-/m0/s1
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US Patent
n/an/a>3.70E+4n/an/an/an/a7.530



Novartis AG

US Patent


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


US Patent US8975417 (2015)


BindingDB Entry DOI: 10.7270/Q2NK3CRX
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM150059
PNG
(US8975417, 119)
Show SMILES Cc1nn(C2CC2)c2C(=O)N([C@@H](c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1
Show InChI InChI=1S/C23H21ClN6O/c1-12-10-18(11-28-14(3)25-26-22(12)28)29-20(15-4-6-16(24)7-5-15)19-13(2)27-30(17-8-9-17)21(19)23(29)31/h4-7,10-11,17,20H,8-9H2,1-3H3/t20-/m1/s1
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n/an/a 17n/an/an/an/a7.530



Novartis AG

US Patent


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


US Patent US8975417 (2015)


BindingDB Entry DOI: 10.7270/Q2NK3CRX
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM150060
PNG
(US8975417, 120)
Show SMILES Cc1nn(-c2ccnn2C)c2C(=O)N([C@@H](c12)c1ccc(Cl)cc1)c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C23H21ClN6O2/c1-13-11-17(12-27(3)22(13)31)29-20(15-5-7-16(24)8-6-15)19-14(2)26-30(21(19)23(29)32)18-9-10-25-28(18)4/h5-12,20H,1-4H3/t20-/m1/s1
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n/an/a 83n/an/an/an/a7.530



Novartis AG

US Patent


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


US Patent US8975417 (2015)


BindingDB Entry DOI: 10.7270/Q2NK3CRX
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM150061
PNG
(US8975417, 121)
Show SMILES Cc1nn(-c2ccnn2C)c2C(=O)N([C@H](c12)c1ccc(Cl)cc1)c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C23H21ClN6O2/c1-13-11-17(12-27(3)22(13)31)29-20(15-5-7-16(24)8-6-15)19-14(2)26-30(21(19)23(29)32)18-9-10-25-28(18)4/h5-12,20H,1-4H3/t20-/m0/s1
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n/an/a 5.40E+3n/an/an/an/a7.530



Novartis AG

US Patent


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


US Patent US8975417 (2015)


BindingDB Entry DOI: 10.7270/Q2NK3CRX
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM150062
PNG
(US8975417, 122)
Show SMILES Cc1nn(C2CC2)c2C(=O)N([C@@H](c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2n1
Show InChI InChI=1S/C22H20ClN7O/c1-11-10-17(27-29-13(3)24-25-21(11)29)28-19(14-4-6-15(23)7-5-14)18-12(2)26-30(16-8-9-16)20(18)22(28)31/h4-7,10,16,19H,8-9H2,1-3H3/t19-/m1/s1
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n/an/a<11n/an/an/an/a7.530



Novartis AG

US Patent


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


US Patent US8975417 (2015)


BindingDB Entry DOI: 10.7270/Q2NK3CRX
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM150063
PNG
(US8975417, 123)
Show SMILES Cc1nn(C2CC2)c2C(=O)N([C@H](c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2n1
Show InChI InChI=1S/C22H20ClN7O/c1-11-10-17(27-29-13(3)24-25-21(11)29)28-19(14-4-6-15(23)7-5-14)18-12(2)26-30(16-8-9-16)20(18)22(28)31/h4-7,10,16,19H,8-9H2,1-3H3/t19-/m0/s1
PDB

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n/an/a 1.30E+4n/an/an/an/a7.530



Novartis AG

US Patent


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


US Patent US8975417 (2015)


BindingDB Entry DOI: 10.7270/Q2NK3CRX
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM150064
PNG
(US8975417, 124)
Show SMILES Cc1nn(-c2ccnn2C)c2C(=O)N([C@H](c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1
Show InChI InChI=1S/C24H21ClN8O/c1-13-11-18(12-31-15(3)27-28-23(13)31)32-21(16-5-7-17(25)8-6-16)20-14(2)29-33(22(20)24(32)34)19-9-10-26-30(19)4/h5-12,21H,1-4H3/t21-/m0/s1
PDB

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n/an/a 3.70E+4n/an/an/an/a7.530



Novartis AG

US Patent


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


US Patent US8975417 (2015)


BindingDB Entry DOI: 10.7270/Q2NK3CRX
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM150065
PNG
(US8975417, 125)
Show SMILES Cc1nn(-c2ccnn2C)c2C(=O)N([C@@H](c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1
Show InChI InChI=1S/C24H21ClN8O/c1-13-11-18(12-31-15(3)27-28-23(13)31)32-21(16-5-7-17(25)8-6-16)20-14(2)29-33(22(20)24(32)34)19-9-10-26-30(19)4/h5-12,21H,1-4H3/t21-/m1/s1
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n/an/a 32n/an/an/an/a7.530



Novartis AG

US Patent


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


US Patent US8975417 (2015)


BindingDB Entry DOI: 10.7270/Q2NK3CRX
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM150066
PNG
(US8975417, 126)
Show SMILES CC(=O)Nc1cc(nn2c(C)nnc12)N1C(c2c(C)nn(C3CC3)c2C1=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H21ClN8O2/c1-11-19-20(14-4-6-15(24)7-5-14)30(23(34)21(19)32(28-11)16-8-9-16)18-10-17(25-13(3)33)22-27-26-12(2)31(22)29-18/h4-7,10,16,20H,8-9H2,1-3H3,(H,25,33)
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n/an/a>3.70E+4n/an/an/an/a7.530



Novartis AG

US Patent


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


US Patent US8975417 (2015)


BindingDB Entry DOI: 10.7270/Q2NK3CRX
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM150067
PNG
(US8975417, 127)
Show SMILES COc1ncccc1-n1nc(C)c2[C@@H](N(C(=O)c12)c1cc(C)c(=O)n(C)c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H22ClN5O3/c1-14-12-18(13-29(3)24(14)32)30-21(16-7-9-17(26)10-8-16)20-15(2)28-31(22(20)25(30)33)19-6-5-11-27-23(19)34-4/h5-13,21H,1-4H3/t21-/m0/s1
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n/an/a 5.10E+3n/an/an/an/a7.530



Novartis AG

US Patent


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


US Patent US8975417 (2015)


BindingDB Entry DOI: 10.7270/Q2NK3CRX
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM150068
PNG
(US8975417, 128)
Show SMILES COc1ncccc1-n1nc(C)c2[C@H](N(C(=O)c12)c1cc(C)c(=O)n(C)c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H22ClN5O3/c1-14-12-18(13-29(3)24(14)32)30-21(16-7-9-17(26)10-8-16)20-15(2)28-31(22(20)25(30)33)19-6-5-11-27-23(19)34-4/h5-13,21H,1-4H3/t21-/m1/s1
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n/an/a 37n/an/an/an/a7.530



Novartis AG

US Patent


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


US Patent US8975417 (2015)


BindingDB Entry DOI: 10.7270/Q2NK3CRX
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM150069
PNG
(US8975417, 129)
Show SMILES Cc1nnc2c(C)cc(cn12)N1C(c2c(nn(C)c2C1=O)C1CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H21ClN6O/c1-12-10-17(11-29-13(2)25-26-22(12)29)30-20(15-6-8-16(24)9-7-15)18-19(14-4-5-14)27-28(3)21(18)23(30)31/h6-11,14,20H,4-5H2,1-3H3
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n/an/a 33n/an/an/an/a7.530



Novartis AG

US Patent


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


US Patent US8975417 (2015)


BindingDB Entry DOI: 10.7270/Q2NK3CRX
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM150070
PNG
(US8975417, 130)
Show SMILES COCc1nn(C2CC2)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1
Show InChI InChI=1S/C24H23ClN6O2/c1-13-10-18(11-29-14(2)26-27-23(13)29)30-21(15-4-6-16(25)7-5-15)20-19(12-33-3)28-31(17-8-9-17)22(20)24(30)32/h4-7,10-11,17,21H,8-9,12H2,1-3H3
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n/an/a 53n/an/an/an/a7.530



Novartis AG

US Patent


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


US Patent US8975417 (2015)


BindingDB Entry DOI: 10.7270/Q2NK3CRX
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM150071
PNG
(US8975417, 131)
Show SMILES Cc1nnc2c(C)cc(cn12)N1C(c2c(CO)nn(C3CC3)c2C1=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H21ClN6O2/c1-12-9-17(10-28-13(2)25-26-22(12)28)29-20(14-3-5-15(24)6-4-14)19-18(11-31)27-30(16-7-8-16)21(19)23(29)32/h3-6,9-10,16,20,31H,7-8,11H2,1-2H3
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n/an/a 52n/an/an/an/a7.530



Novartis AG

US Patent


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


US Patent US8975417 (2015)


BindingDB Entry DOI: 10.7270/Q2NK3CRX
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM150072
PNG
(US8975417, 132)
Show SMILES COCc1nn(C2CC2)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C23H23ClN4O3/c1-13-10-17(11-26(2)22(13)29)27-20(14-4-6-15(24)7-5-14)19-18(12-31-3)25-28(16-8-9-16)21(19)23(27)30/h4-7,10-11,16,20H,8-9,12H2,1-3H3
PDB

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US Patent
n/an/a 89n/an/an/an/a7.530



Novartis AG

US Patent


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


US Patent US8975417 (2015)


BindingDB Entry DOI: 10.7270/Q2NK3CRX
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM150073
PNG
(US8975417, 133)
Show SMILES Cc1cc(cn(C)c1=O)N1C(c2c(CO)nn(C3CC3)c2C1=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H21ClN4O3/c1-12-9-16(10-25(2)21(12)29)26-19(13-3-5-14(23)6-4-13)18-17(11-28)24-27(15-7-8-15)20(18)22(26)30/h3-6,9-10,15,19,28H,7-8,11H2,1-2H3
PDB

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n/an/a 80n/an/an/an/a7.530



Novartis AG

US Patent


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


US Patent US8975417 (2015)


BindingDB Entry DOI: 10.7270/Q2NK3CRX
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM150074
PNG
(US8975417, 134)
Show SMILES Cc1c2C(N(C(=O)c2nn1C1COC1)c1cc(C)c(=O)n(C)c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H21ClN4O3/c1-12-8-16(9-25(3)21(12)28)26-20(14-4-6-15(23)7-5-14)18-13(2)27(17-10-30-11-17)24-19(18)22(26)29/h4-9,17,20H,10-11H2,1-3H3
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n/an/a 130n/an/an/an/a7.530



Novartis AG

US Patent


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


US Patent US8975417 (2015)


BindingDB Entry DOI: 10.7270/Q2NK3CRX
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM150075
PNG
(US8975417, 135)
Show SMILES Cc1nn(C2COC2)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C22H21ClN4O3/c1-12-8-16(9-25(3)21(12)28)26-19(14-4-6-15(23)7-5-14)18-13(2)24-27(17-10-30-11-17)20(18)22(26)29/h4-9,17,19H,10-11H2,1-3H3
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n/an/a 130n/an/an/an/a7.530



Novartis AG

US Patent


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


US Patent US8975417 (2015)


BindingDB Entry DOI: 10.7270/Q2NK3CRX
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM150076
PNG
(US8975417, 136)
Show SMILES Cc1nnc2c(C)cc(cn12)N1C(c2c(C)n(nc2C1=O)C1COC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H21ClN6O2/c1-12-8-17(9-28-14(3)25-26-22(12)28)29-21(15-4-6-16(24)7-5-15)19-13(2)30(18-10-32-11-18)27-20(19)23(29)31/h4-9,18,21H,10-11H2,1-3H3
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n/an/a 130n/an/an/an/a7.530



Novartis AG

US Patent


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


US Patent US8975417 (2015)


BindingDB Entry DOI: 10.7270/Q2NK3CRX
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM150077
PNG
(US8975417, 137)
Show SMILES Cc1nn(C2COC2)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1
Show InChI InChI=1S/C23H21ClN6O2/c1-12-8-17(9-28-14(3)25-26-22(12)28)29-20(15-4-6-16(24)7-5-15)19-13(2)27-30(18-10-32-11-18)21(19)23(29)31/h4-9,18,20H,10-11H2,1-3H3
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n/an/a 100n/an/an/an/a7.530



Novartis AG

US Patent


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


US Patent US8975417 (2015)


BindingDB Entry DOI: 10.7270/Q2NK3CRX
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM150078
PNG
(US8975417, 138)
Show SMILES Cc1nn(C2CNC2)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C22H22ClN5O2/c1-12-8-16(11-26(3)21(12)29)27-19(14-4-6-15(23)7-5-14)18-13(2)25-28(17-9-24-10-17)20(18)22(27)30/h4-8,11,17,19,24H,9-10H2,1-3H3
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n/an/a 240n/an/an/an/a7.530



Novartis AG

US Patent


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


US Patent US8975417 (2015)


BindingDB Entry DOI: 10.7270/Q2NK3CRX
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM150079
PNG
(US8975417, 139)
Show SMILES CN1CC(C1)n1nc2C(=O)N(C(c2c1C)c1ccc(Cl)cc1)c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C23H24ClN5O2/c1-13-9-17(12-27(4)22(13)30)28-21(15-5-7-16(24)8-6-15)19-14(2)29(18-10-26(3)11-18)25-20(19)23(28)31/h5-9,12,18,21H,10-11H2,1-4H3
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n/an/a 120n/an/an/an/a7.530



Novartis AG

US Patent


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


US Patent US8975417 (2015)


BindingDB Entry DOI: 10.7270/Q2NK3CRX
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM150080
PNG
(US8975417, 140)
Show SMILES CN1CC(C1)n1nc(C)c2C(N(C(=O)c12)c1cc(C)c(=O)n(C)c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H24ClN5O2/c1-13-9-17(12-27(4)22(13)30)28-20(15-5-7-16(24)8-6-15)19-14(2)25-29(21(19)23(28)31)18-10-26(3)11-18/h5-9,12,18,20H,10-11H2,1-4H3
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n/an/a 440n/an/an/an/a7.530



Novartis AG

US Patent


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


US Patent US8975417 (2015)


BindingDB Entry DOI: 10.7270/Q2NK3CRX
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM150081
PNG
(US8975417, 141)
Show SMILES CN(C)C(=O)n1nc2C(=O)N(C(c2c1C)c1ccc(Cl)cc1)c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C22H22ClN5O3/c1-12-10-16(11-26(5)20(12)29)27-19(14-6-8-15(23)9-7-14)17-13(2)28(22(31)25(3)4)24-18(17)21(27)30/h6-11,19H,1-5H3
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n/an/a 130n/an/an/an/a7.530



Novartis AG

US Patent


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


US Patent US8975417 (2015)


BindingDB Entry DOI: 10.7270/Q2NK3CRX
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM150082
PNG
(US8975417, 142)
Show SMILES CN(C)C(=O)n1nc(C)c2C(N(C(=O)c12)c1cc(C)c(=O)n(C)c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H22ClN5O3/c1-12-10-16(11-26(5)20(12)29)27-18(14-6-8-15(23)9-7-14)17-13(2)24-28(19(17)21(27)30)22(31)25(3)4/h6-11,18H,1-5H3
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n/an/a 150n/an/an/an/a7.530



Novartis AG

US Patent


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


US Patent US8975417 (2015)


BindingDB Entry DOI: 10.7270/Q2NK3CRX
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM150083
PNG
(US8975417, 143)
Show SMILES CNC(=O)n1nc(C)c2C(N(C(=O)c12)c1cc(C)c(=O)n(C)c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H20ClN5O3/c1-11-9-15(10-25(4)19(11)28)26-17(13-5-7-14(22)8-6-13)16-12(2)24-27(21(30)23-3)18(16)20(26)29/h5-10,17H,1-4H3,(H,23,30)
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n/an/a 270n/an/an/an/a7.530



Novartis AG

US Patent


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


US Patent US8975417 (2015)


BindingDB Entry DOI: 10.7270/Q2NK3CRX
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM150084
PNG
(US8975417, 144)
Show SMILES CNC(=O)n1nc2C(=O)N(C(c2c1C)c1ccc(Cl)cc1)c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C21H20ClN5O3/c1-11-9-15(10-25(4)19(11)28)26-18(13-5-7-14(22)8-6-13)16-12(2)27(21(30)23-3)24-17(16)20(26)29/h5-10,18H,1-4H3,(H,23,30)
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n/an/a 140n/an/an/an/a7.530



Novartis AG

US Patent


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


US Patent US8975417 (2015)


BindingDB Entry DOI: 10.7270/Q2NK3CRX
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM150085
PNG
(US8975417, 145)
Show SMILES CNC(=O)n1nc(C)c2C(N(C(=O)c12)c1cc(C)c2nnc(C)n2c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H20ClN7O2/c1-11-9-16(10-28-13(3)25-26-20(11)28)29-18(14-5-7-15(23)8-6-14)17-12(2)27-30(22(32)24-4)19(17)21(29)31/h5-10,18H,1-4H3,(H,24,32)
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n/an/a 190n/an/an/an/a7.530



Novartis AG

US Patent


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


US Patent US8975417 (2015)


BindingDB Entry DOI: 10.7270/Q2NK3CRX
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM150086
PNG
(US8975417, 146)
Show SMILES CNC(=O)n1nc2C(=O)N(C(c2c1C)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1
Show InChI InChI=1S/C22H20ClN7O2/c1-11-9-16(10-28-13(3)25-26-20(11)28)29-19(14-5-7-15(23)8-6-14)17-12(2)30(22(32)24-4)27-18(17)21(29)31/h5-10,19H,1-4H3,(H,24,32)
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n/an/a 200n/an/an/an/a7.530



Novartis AG

US Patent


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


US Patent US8975417 (2015)


BindingDB Entry DOI: 10.7270/Q2NK3CRX
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM150087
PNG
(US8975417, 147)
Show SMILES CCc1nn(C(=O)N(C)C)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C23H24ClN5O3/c1-6-17-18-19(14-7-9-15(24)10-8-14)28(16-11-13(2)21(30)27(5)12-16)22(31)20(18)29(25-17)23(32)26(3)4/h7-12,19H,6H2,1-5H3
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n/an/a 120n/an/an/an/a7.530



Novartis AG

US Patent


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


US Patent US8975417 (2015)


BindingDB Entry DOI: 10.7270/Q2NK3CRX
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM150088
PNG
(US8975417, 148)
Show SMILES CCc1c2C(N(C(=O)c2nn1C(=O)N(C)C)c1cc(C)c(=O)n(C)c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H24ClN5O3/c1-6-17-18-19(25-29(17)23(32)26(3)4)22(31)28(16-11-13(2)21(30)27(5)12-16)20(18)14-7-9-15(24)10-8-14/h7-12,20H,6H2,1-5H3
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n/an/a 160n/an/an/an/a7.530



Novartis AG

US Patent


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


US Patent US8975417 (2015)


BindingDB Entry DOI: 10.7270/Q2NK3CRX
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM150135
PNG
(US8975417, 149)
Show SMILES CN(C)C(=O)n1nc(C)c2C(N(C(=O)c12)c1cc(C)c2nnc(C)n2c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H22ClN7O2/c1-12-10-17(11-29-14(3)25-26-21(12)29)30-19(15-6-8-16(24)9-7-15)18-13(2)27-31(20(18)22(30)32)23(33)28(4)5/h6-11,19H,1-5H3
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n/an/a 39n/an/an/an/a7.530



Novartis AG

US Patent


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


US Patent US8975417 (2015)


BindingDB Entry DOI: 10.7270/Q2NK3CRX
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM150136
PNG
(US8975417, 150)
Show SMILES CN(C)C(=O)n1nc2C(=O)N([C@@H](c2c1C)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1
Show InChI InChI=1S/C23H22ClN7O2/c1-12-10-17(11-29-14(3)25-26-21(12)29)30-20(15-6-8-16(24)9-7-15)18-13(2)31(23(33)28(4)5)27-19(18)22(30)32/h6-11,20H,1-5H3/t20-/m1/s1
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n/an/a 120n/an/an/an/a7.530



Novartis AG

US Patent


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


US Patent US8975417 (2015)


BindingDB Entry DOI: 10.7270/Q2NK3CRX
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM150089
PNG
(US8975417, 151)
Show SMILES Cc1nn(C2CNC2)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1
Show InChI InChI=1S/C23H22ClN7O/c1-12-8-17(11-29-14(3)26-27-22(12)29)30-20(15-4-6-16(24)7-5-15)19-13(2)28-31(18-9-25-10-18)21(19)23(30)32/h4-8,11,18,20,25H,9-10H2,1-3H3
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n/an/a 160n/an/an/an/a7.530



Novartis AG

US Patent


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


US Patent US8975417 (2015)


BindingDB Entry DOI: 10.7270/Q2NK3CRX
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM150090
PNG
(US8975417, 152)
Show SMILES Cc1nnc2c(C)cc(cn12)N1C(c2c(C)n(nc2C1=O)C1CNC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H22ClN7O/c1-12-8-17(11-29-14(3)26-27-22(12)29)30-21(15-4-6-16(24)7-5-15)19-13(2)31(18-9-25-10-18)28-20(19)23(30)32/h4-8,11,18,21,25H,9-10H2,1-3H3
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n/an/a 110n/an/an/an/a7.530



Novartis AG

US Patent


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


US Patent US8975417 (2015)


BindingDB Entry DOI: 10.7270/Q2NK3CRX
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM150091
PNG
(US8975417, 153)
Show SMILES CC(=O)N1CC(C1)n1nc(C)c2C(N(C(=O)c12)c1cc(C)c(=O)n(C)c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H24ClN5O3/c1-13-9-18(10-27(4)23(13)32)29-21(16-5-7-17(25)8-6-16)20-14(2)26-30(22(20)24(29)33)19-11-28(12-19)15(3)31/h5-10,19,21H,11-12H2,1-4H3
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n/an/a 130n/an/an/an/a7.530



Novartis AG

US Patent


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


US Patent US8975417 (2015)


BindingDB Entry DOI: 10.7270/Q2NK3CRX
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


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



Novartis AG

US Patent


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


US Patent US8975417 (2015)


BindingDB Entry DOI: 10.7270/Q2NK3CRX
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM150093
PNG
(US8975417, 155)
Show SMILES CCOC(=O)N1CC(C1)n1nc(C)c2C(N(C(=O)c12)c1cc(C)c(=O)n(C)c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H26ClN5O4/c1-5-35-25(34)29-12-19(13-29)31-22-20(15(3)27-31)21(16-6-8-17(26)9-7-16)30(24(22)33)18-10-14(2)23(32)28(4)11-18/h6-11,19,21H,5,12-13H2,1-4H3
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n/an/a 76n/an/an/an/a7.530



Novartis AG

US Patent


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


US Patent US8975417 (2015)


BindingDB Entry DOI: 10.7270/Q2NK3CRX
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM150094
PNG
(US8975417, 156)
Show SMILES CCOC(=O)N1CC(C1)n1nc(C)c2C(N(C(=O)c12)c1cc(C)c2nnc(C)n2c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H26ClN7O3/c1-5-37-26(36)31-11-20(12-31)34-23-21(15(3)30-34)22(17-6-8-18(27)9-7-17)33(25(23)35)19-10-14(2)24-29-28-16(4)32(24)13-19/h6-10,13,20,22H,5,11-12H2,1-4H3
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n/an/a 77n/an/an/an/a7.530



Novartis AG

US Patent


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


US Patent US8975417 (2015)


BindingDB Entry DOI: 10.7270/Q2NK3CRX
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM150095
PNG
(US8975417, 157)
Show SMILES CN1CC(C1)n1nc(C)c2C(N(C(=O)c12)c1cc(C)c2nnc(C)n2c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H24ClN7O/c1-13-9-18(12-30-15(3)26-27-23(13)30)31-21(16-5-7-17(25)8-6-16)20-14(2)28-32(22(20)24(31)33)19-10-29(4)11-19/h5-9,12,19,21H,10-11H2,1-4H3
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n/an/a 200n/an/an/an/a7.530



Novartis AG

US Patent


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


US Patent US8975417 (2015)


BindingDB Entry DOI: 10.7270/Q2NK3CRX
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM150096
PNG
(US8975417, 158)
Show SMILES CN1CC(C1)n1nc2C(=O)N(C(c2c1C)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1
Show InChI InChI=1S/C24H24ClN7O/c1-13-9-18(12-30-15(3)26-27-23(13)30)31-22(16-5-7-17(25)8-6-16)20-14(2)32(19-10-29(4)11-19)28-21(20)24(31)33/h5-9,12,19,22H,10-11H2,1-4H3
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n/an/a 93n/an/an/an/a7.530



Novartis AG

US Patent


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


US Patent US8975417 (2015)


BindingDB Entry DOI: 10.7270/Q2NK3CRX
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM150097
PNG
(US8975417, 159)
Show SMILES Cc1nnc2c(C)cc(cn12)N1C(c2c(CF)nn(C3CC3)c2C1=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H20ClFN6O/c1-12-9-17(11-29-13(2)26-27-22(12)29)30-20(14-3-5-15(24)6-4-14)19-18(10-25)28-31(16-7-8-16)21(19)23(30)32/h3-6,9,11,16,20H,7-8,10H2,1-2H3
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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 US8975417 (2015)


BindingDB Entry DOI: 10.7270/Q2NK3CRX
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM150098
PNG
(US8975417, 160)
Show SMILES Cc1nn(C2CC2)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C23H20ClN5O2/c1-12-18-20(13-3-5-14(24)6-4-13)28(23(31)21(18)29(26-12)15-7-8-15)17-11-27(2)22(30)19-16(17)9-10-25-19/h3-6,9-11,15,20,25H,7-8H2,1-2H3
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n/an/a 52n/an/an/an/a7.530



Novartis AG

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


US Patent US8975417 (2015)


BindingDB Entry DOI: 10.7270/Q2NK3CRX
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


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

US Patent


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


US Patent US8975417 (2015)


BindingDB Entry DOI: 10.7270/Q2NK3CRX
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


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

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


US Patent US8975417 (2015)


BindingDB Entry DOI: 10.7270/Q2NK3CRX
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


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

US Patent


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


US Patent US8975417 (2015)


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