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Patent code US9365576

Compile Data Set for Download or QSAR

Found 279 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
p53-MDM2


(Homo sapiens (Human))
BDBM236338
PNG
(US9365576, 91)
Show SMILES COc1ccc(CC(O)=O)cc1-c1cc2C(=O)N([C@H](c2n1C(C)C)c1ccc(Cl)cc1)c1cc(Cl)ccc1C
Show InChI InChI=1S/C31H28Cl2N2O4/c1-17(2)34-26(23-13-19(14-28(36)37)6-12-27(23)39-4)16-24-30(34)29(20-7-10-21(32)11-8-20)35(31(24)38)25-15-22(33)9-5-18(25)3/h5-13,15-17,29H,14H2,1-4H3,(H,36,37)/t29-/m0/s1
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Novartis AG

US Patent


Assay Description
Assay 2: The test is performed in white 384-well plates (Greiner Bio-One, reference 781207) in a total volume of 60 μL by adding 1 μL of compou...


Citation and Details
More data for this
Ligand-Target Pair
p53-MDM2


(Homo sapiens (Human))
BDBM236270
PNG
(US9365576, 23)
Show SMILES COc1ncc(-c2cc3C(=O)N([C@H](c3n2C(C)C)c2ccc(Cl)cc2)c2cc(Cl)ccc2C)c(OC)n1
Show InChI InChI=1S/C28H26Cl2N4O3/c1-15(2)33-23(21-14-31-28(37-5)32-26(21)36-4)13-20-25(33)24(17-7-10-18(29)11-8-17)34(27(20)35)22-12-19(30)9-6-16(22)3/h6-15,24H,1-5H3/t24-/m0/s1
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Novartis AG

US Patent


Assay Description
Assay 2: The test is performed in white 384-well plates (Greiner Bio-One, reference 781207) in a total volume of 60 μL by adding 1 μL of compou...


Citation and Details
More data for this
Ligand-Target Pair
p53-MDM2


(Homo sapiens (Human))
BDBM236261
PNG
(US9365576, 14)
Show SMILES COc1ncc(-c2cc3C(=O)N(C(c3n2C(C)C)c2ccc(Cl)cc2)c2cc(Cl)ccc2C)c(OC)n1
Show InChI InChI=1S/C28H26Cl2N4O3/c1-15(2)33-23(21-14-31-28(37-5)32-26(21)36-4)13-20-25(33)24(17-7-10-18(29)11-8-17)34(27(20)35)22-12-19(30)9-6-16(22)3/h6-15,24H,1-5H3
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Novartis AG

US Patent


Assay Description
Assay 2: The test is performed in white 384-well plates (Greiner Bio-One, reference 781207) in a total volume of 60 μL by adding 1 μL of compou...


Citation and Details
More data for this
Ligand-Target Pair
p53-MDM2


(Homo sapiens (Human))
BDBM236476
PNG
(US9365576, 232)
Show SMILES COc1nc(ncc1-c1cc2C(=O)N([C@H](c2n1C(C)C)c1ccc(cc1)C#N)c1cc(Cl)c(=O)n(C)c1)N(C)C
Show InChI InChI=1S/C29H28ClN7O3/c1-16(2)36-23(21-14-32-29(34(3)4)33-26(21)40-6)12-20-25(36)24(18-9-7-17(13-31)8-10-18)37(27(20)38)19-11-22(30)28(39)35(5)15-19/h7-12,14-16,24H,1-6H3/t24-/m0/s1
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Assay Description
Assay 2: The test is performed in white 384-well plates (Greiner Bio-One, reference 781207) in a total volume of 60 μL by adding 1 μL of compou...


Citation and Details
More data for this
Ligand-Target Pair
p53-MDM2


(Homo sapiens (Human))
BDBM236471
PNG
(US9365576, 227)
Show SMILES COc1nc(ncc1-c1cc2C(=O)N([C@H](c2n1C(C)C)c1ccc(Cl)c(F)c1)c1cc(Cl)c[nH]c1=O)N(C)C
Show InChI InChI=1S/C27H25Cl2FN6O3/c1-13(2)35-20(17-12-32-27(34(3)4)33-25(17)39-5)10-16-23(35)22(14-6-7-18(29)19(30)8-14)36(26(16)38)21-9-15(28)11-31-24(21)37/h6-13,22H,1-5H3,(H,31,37)/t22-/m0/s1
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Assay Description
Assay 2: The test is performed in white 384-well plates (Greiner Bio-One, reference 781207) in a total volume of 60 μL by adding 1 μL of compou...


Citation and Details
More data for this
Ligand-Target Pair
p53-MDM2


(Homo sapiens (Human))
BDBM236267
PNG
(US9365576, 20)
Show SMILES COc1ccc(cc1-c1cc2C(=O)N([C@H](c2n1C(C)C)c1ccc(Cl)cc1)c1cc(Cl)ccc1C)C(=O)N(C)C
Show InChI InChI=1S/C32H31Cl2N3O3/c1-18(2)36-27(24-15-21(31(38)35(4)5)10-14-28(24)40-6)17-25-30(36)29(20-8-12-22(33)13-9-20)37(32(25)39)26-16-23(34)11-7-19(26)3/h7-18,29H,1-6H3/t29-/m0/s1
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Assay Description
Assay 2: The test is performed in white 384-well plates (Greiner Bio-One, reference 781207) in a total volume of 60 μL by adding 1 μL of compou...


Citation and Details
More data for this
Ligand-Target Pair
p53-MDM2


(Homo sapiens (Human))
BDBM236473
PNG
(US9365576, 229)
Show SMILES COC[C@@H](C)n1c(cc2C(=O)N([C@H](c12)c1ccc(Cl)cc1)c1ccc(F)c(Cl)c1)-c1cnc(N)nc1OC
Show InChI InChI=1S/C27H24Cl2FN5O3/c1-14(13-37-2)34-22(19-12-32-27(31)33-25(19)38-3)11-18-24(34)23(15-4-6-16(28)7-5-15)35(26(18)36)17-8-9-21(30)20(29)10-17/h4-12,14,23H,13H2,1-3H3,(H2,31,32,33)/t14-,23+/m1/s1
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Assay Description
Assay 2: The test is performed in white 384-well plates (Greiner Bio-One, reference 781207) in a total volume of 60 μL by adding 1 μL of compou...


Citation and Details
More data for this
Ligand-Target Pair
p53-MDM2


(Homo sapiens (Human))
BDBM236435
PNG
(US9365576, 188)
Show SMILES COc1nc(ncc1-c1cc2C(=O)N([C@H](c2n1C(C)C)c1ccc(Cl)cc1)c1c[nH]c(=O)c(Cl)c1)N(C)C
Show InChI InChI=1S/C27H26Cl2N6O3/c1-14(2)34-21(19-13-31-27(33(3)4)32-25(19)38-5)11-18-23(34)22(15-6-8-16(28)9-7-15)35(26(18)37)17-10-20(29)24(36)30-12-17/h6-14,22H,1-5H3,(H,30,36)/t22-/m0/s1
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Assay Description
Assay 2: The test is performed in white 384-well plates (Greiner Bio-One, reference 781207) in a total volume of 60 μL by adding 1 μL of compou...


Citation and Details
More data for this
Ligand-Target Pair
p53-MDM2


(Homo sapiens (Human))
BDBM236336
PNG
(US9365576, 89)
Show SMILES COc1ccc(cc1-c1cc2C(=O)N([C@H](c2n1C(C)C)c1ccc(Cl)cc1)c1cc(Cl)ccc1C)C(O)=O
Show InChI InChI=1S/C30H26Cl2N2O4/c1-16(2)33-25(22-13-19(30(36)37)8-12-26(22)38-4)15-23-28(33)27(18-6-10-20(31)11-7-18)34(29(23)35)24-14-21(32)9-5-17(24)3/h5-16,27H,1-4H3,(H,36,37)/t27-/m0/s1
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Novartis AG

US Patent


Assay Description
Assay 2: The test is performed in white 384-well plates (Greiner Bio-One, reference 781207) in a total volume of 60 μL by adding 1 μL of compou...


Citation and Details
More data for this
Ligand-Target Pair
p53-MDM2


(Homo sapiens (Human))
BDBM236368
PNG
(US9365576, 121 | US9365576, 218)
Show SMILES COc1ncc(-c2cc3C(=O)N([C@H](c3n2C(C)C)c2ccc(Cl)cc2)c2cc(Cl)c(=O)n(C)c2)c(OC)n1
Show InChI InChI=1S/C27H25Cl2N5O4/c1-14(2)33-21(19-12-30-27(38-5)31-24(19)37-4)11-18-23(33)22(15-6-8-16(28)9-7-15)34(25(18)35)17-10-20(29)26(36)32(3)13-17/h6-14,22H,1-5H3/t22-/m0/s1
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Novartis AG

US Patent


Assay Description
Assay 2: The test is performed in white 384-well plates (Greiner Bio-One, reference 781207) in a total volume of 60 μL by adding 1 μL of compou...


Citation and Details
More data for this
Ligand-Target Pair
p53-MDM2


(Homo sapiens (Human))
BDBM236279
PNG
(US9365576, 32)
Show SMILES CNC(=O)c1ccc(OC)c(c1)-c1cc2C(=O)N([C@H](c2n1C(C)C)c1ccc(Cl)cc1C)c1cc(Cl)ccc1C
Show InChI InChI=1S/C32H31Cl2N3O3/c1-17(2)36-27(24-14-20(31(38)35-5)8-12-28(24)40-6)16-25-30(36)29(23-11-10-21(33)13-19(23)4)37(32(25)39)26-15-22(34)9-7-18(26)3/h7-17,29H,1-6H3,(H,35,38)/t29-/m0/s1
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Novartis AG

US Patent


Assay Description
Assay 2: The test is performed in white 384-well plates (Greiner Bio-One, reference 781207) in a total volume of 60 μL by adding 1 μL of compou...


Citation and Details
More data for this
Ligand-Target Pair
p53-MDM2


(Homo sapiens (Human))
BDBM236265
PNG
(US9365576, 18)
Show SMILES CNC(=O)c1ccc(OC)c(c1)-c1cc2C(=O)N([C@H](c2n1C(C)C)c1ccc(Cl)cc1)c1cc(Cl)ccc1C
Show InChI InChI=1S/C31H29Cl2N3O3/c1-17(2)35-26(23-14-20(30(37)34-4)9-13-27(23)39-5)16-24-29(35)28(19-7-11-21(32)12-8-19)36(31(24)38)25-15-22(33)10-6-18(25)3/h6-17,28H,1-5H3,(H,34,37)/t28-/m0/s1
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Novartis AG

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Assay Description
Assay 2: The test is performed in white 384-well plates (Greiner Bio-One, reference 781207) in a total volume of 60 μL by adding 1 μL of compou...


Citation and Details
More data for this
Ligand-Target Pair
p53-MDM2


(Homo sapiens (Human))
BDBM236308
PNG
(US9365576, 61)
Show SMILES COc1ccc(cc1-c1cc2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1)c1cc(Cl)ccc1C)C(N)=O
Show InChI InChI=1S/C30H27Cl2N3O3/c1-16(2)34-25(22-13-19(29(33)36)8-12-26(22)38-4)15-23-28(34)27(18-6-10-20(31)11-7-18)35(30(23)37)24-14-21(32)9-5-17(24)3/h5-16,27H,1-4H3,(H2,33,36)
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Novartis AG

US Patent


Assay Description
Assay 2: The test is performed in white 384-well plates (Greiner Bio-One, reference 781207) in a total volume of 60 μL by adding 1 μL of compou...


Citation and Details
More data for this
Ligand-Target Pair
p53-MDM2


(Homo sapiens (Human))
BDBM236370
PNG
(US9365576, 123)
Show SMILES COc1nc(ncc1-c1cc2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1)c1cc(Cl)c[nH]c1=O)N(C)C
Show InChI InChI=1S/C27H26Cl2N6O3/c1-14(2)34-20(19-13-31-27(33(3)4)32-25(19)38-5)11-18-23(34)22(15-6-8-16(28)9-7-15)35(26(18)37)21-10-17(29)12-30-24(21)36/h6-14,22H,1-5H3,(H,30,36)
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Novartis AG

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Assay Description
Assay 2: The test is performed in white 384-well plates (Greiner Bio-One, reference 781207) in a total volume of 60 μL by adding 1 μL of compou...


Citation and Details
More data for this
Ligand-Target Pair
p53-MDM2


(Homo sapiens (Human))
BDBM236368
PNG
(US9365576, 121 | US9365576, 218)
Show SMILES COc1ncc(-c2cc3C(=O)N([C@H](c3n2C(C)C)c2ccc(Cl)cc2)c2cc(Cl)c(=O)n(C)c2)c(OC)n1
Show InChI InChI=1S/C27H25Cl2N5O4/c1-14(2)33-21(19-12-30-27(38-5)31-24(19)37-4)11-18-23(33)22(15-6-8-16(28)9-7-15)34(25(18)35)17-10-20(29)26(36)32(3)13-17/h6-14,22H,1-5H3/t22-/m0/s1
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Novartis AG

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Assay Description
Assay 2: The test is performed in white 384-well plates (Greiner Bio-One, reference 781207) in a total volume of 60 μL by adding 1 μL of compou...


Citation and Details
More data for this
Ligand-Target Pair
p53-MDM2


(Homo sapiens (Human))
BDBM236275
PNG
(US9365576, 28)
Show SMILES COc1ccc(cc1-c1cc2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1)c1cc(Cl)ccc1C)C(=O)N1CCOCC1
Show InChI InChI=1S/C34H33Cl2N3O4/c1-20(2)38-29(26-17-23(8-12-30(26)42-4)33(40)37-13-15-43-16-14-37)19-27-32(38)31(22-6-10-24(35)11-7-22)39(34(27)41)28-18-25(36)9-5-21(28)3/h5-12,17-20,31H,13-16H2,1-4H3
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Novartis AG

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Assay Description
Assay 2: The test is performed in white 384-well plates (Greiner Bio-One, reference 781207) in a total volume of 60 μL by adding 1 μL of compou...


Citation and Details
More data for this
Ligand-Target Pair
p53-MDM2


(Homo sapiens (Human))
BDBM236481
PNG
(US9365576, 237)
Show SMILES COc1ncc(-c2cc3C(=O)N([C@H](c3n2C(C)C)c2ccc(C#N)c(F)c2)c2cc(Cl)c(=O)n(C)c2)c(OC)n1
Show InChI InChI=1S/C28H24ClFN6O4/c1-14(2)35-22(19-12-32-28(40-5)33-25(19)39-4)10-18-24(35)23(15-6-7-16(11-31)21(30)8-15)36(26(18)37)17-9-20(29)27(38)34(3)13-17/h6-10,12-14,23H,1-5H3/t23-/m0/s1
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Novartis AG

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Assay Description
Assay 2: The test is performed in white 384-well plates (Greiner Bio-One, reference 781207) in a total volume of 60 μL by adding 1 μL of compou...


Citation and Details
More data for this
Ligand-Target Pair
p53-MDM2


(Homo sapiens (Human))
BDBM236433
PNG
(US9365576, 186)
Show SMILES COc1ncc(-c2cc3C(=O)N([C@H](c3n2C(C)C)c2ccc(cc2)C#N)c2cc(Cl)c(=O)n(C)c2)c(OC)n1
Show InChI InChI=1S/C28H25ClN6O4/c1-15(2)34-22(20-13-31-28(39-5)32-25(20)38-4)11-19-24(34)23(17-8-6-16(12-30)7-9-17)35(26(19)36)18-10-21(29)27(37)33(3)14-18/h6-11,13-15,23H,1-5H3/t23-/m0/s1
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Novartis AG

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Assay Description
Assay 2: The test is performed in white 384-well plates (Greiner Bio-One, reference 781207) in a total volume of 60 μL by adding 1 μL of compou...


Citation and Details
More data for this
Ligand-Target Pair
p53-MDM2


(Homo sapiens (Human))
BDBM236396
PNG
(US9365576, 149)
Show SMILES COc1cn(C)c(=O)cc1-c1cc2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1)c1cc(Cl)ccc1C
Show InChI InChI=1S/C29H27Cl2N3O3/c1-16(2)33-24(21-14-26(35)32(4)15-25(21)37-5)13-22-28(33)27(18-7-10-19(30)11-8-18)34(29(22)36)23-12-20(31)9-6-17(23)3/h6-16,27H,1-5H3
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Novartis AG

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Assay Description
Assay 2: The test is performed in white 384-well plates (Greiner Bio-One, reference 781207) in a total volume of 60 μL by adding 1 μL of compou...


Citation and Details
More data for this
Ligand-Target Pair
p53-MDM2


(Homo sapiens (Human))
BDBM236258
PNG
(US9365576, 11)
Show SMILES COc1ccc(CO)cc1-c1cc2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1)c1cc(Cl)ccc1C
Show InChI InChI=1S/C30H28Cl2N2O3/c1-17(2)33-26(23-13-19(16-35)6-12-27(23)37-4)15-24-29(33)28(20-7-10-21(31)11-8-20)34(30(24)36)25-14-22(32)9-5-18(25)3/h5-15,17,28,35H,16H2,1-4H3
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Novartis AG

US Patent


Assay Description
Assay 2: The test is performed in white 384-well plates (Greiner Bio-One, reference 781207) in a total volume of 60 μL by adding 1 μL of compou...


Citation and Details
More data for this
Ligand-Target Pair
p53-MDM2


(Homo sapiens (Human))
BDBM236283
PNG
(US9365576, 36)
Show SMILES COc1ccc(cc1-c1cc2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1)c1cc(Cl)ccc1C)C(=O)NCCS(C)(=O)=O
Show InChI InChI=1S/C33H33Cl2N3O5S/c1-19(2)37-28(25-16-22(9-13-29(25)43-4)32(39)36-14-15-44(5,41)42)18-26-31(37)30(21-7-11-23(34)12-8-21)38(33(26)40)27-17-24(35)10-6-20(27)3/h6-13,16-19,30H,14-15H2,1-5H3,(H,36,39)
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n/an/a 0.115n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Assay 2: The test is performed in white 384-well plates (Greiner Bio-One, reference 781207) in a total volume of 60 μL by adding 1 μL of compou...


Citation and Details
More data for this
Ligand-Target Pair
p53-MDM2


(Homo sapiens (Human))
BDBM236327
PNG
(US9365576, 80)
Show SMILES COc1ccc(CC(N)=O)cc1-c1cc2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1)c1cc(Cl)ccc1C
Show InChI InChI=1S/C31H29Cl2N3O3/c1-17(2)35-26(23-13-19(14-28(34)37)6-12-27(23)39-4)16-24-30(35)29(20-7-10-21(32)11-8-20)36(31(24)38)25-15-22(33)9-5-18(25)3/h5-13,15-17,29H,14H2,1-4H3,(H2,34,37)
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n/an/a 0.115n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Assay 2: The test is performed in white 384-well plates (Greiner Bio-One, reference 781207) in a total volume of 60 μL by adding 1 μL of compou...


Citation and Details
More data for this
Ligand-Target Pair
p53-MDM2


(Homo sapiens (Human))
BDBM236257
PNG
(US9365576, 10)
Show SMILES CNC(=O)c1ccc(OC)c(c1)-c1cc2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1)c1cc(Cl)ccc1C
Show InChI InChI=1S/C31H29Cl2N3O3/c1-17(2)35-26(23-14-20(30(37)34-4)9-13-27(23)39-5)16-24-29(35)28(19-7-11-21(32)12-8-19)36(31(24)38)25-15-22(33)10-6-18(25)3/h6-17,28H,1-5H3,(H,34,37)
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n/an/a 0.116n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Assay 2: The test is performed in white 384-well plates (Greiner Bio-One, reference 781207) in a total volume of 60 μL by adding 1 μL of compou...


Citation and Details
More data for this
Ligand-Target Pair
p53-MDM2


(Homo sapiens (Human))
BDBM236450
PNG
(US9365576, 203)
Show SMILES COc1nc(ncc1-c1cc2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)c(F)c1)c1cc(Cl)c[nH]c1=O)N(C)C
Show InChI InChI=1S/C27H25Cl2FN6O3/c1-13(2)35-20(17-12-32-27(34(3)4)33-25(17)39-5)10-16-23(35)22(14-6-7-18(29)19(30)8-14)36(26(16)38)21-9-15(28)11-31-24(21)37/h6-13,22H,1-5H3,(H,31,37)
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Novartis AG

US Patent


Assay Description
Assay 2: The test is performed in white 384-well plates (Greiner Bio-One, reference 781207) in a total volume of 60 μL by adding 1 μL of compou...


Citation and Details
More data for this
Ligand-Target Pair
p53-MDM2


(Homo sapiens (Human))
BDBM236254
PNG
(US9365576, 7)
Show SMILES CNC(=O)c1ccc(OC)c(c1)-c1cc2C(=O)N([C@H](c2n1C(C)C)c1ccc(Cl)cc1C)c1cccc(Cl)c1F
Show InChI InChI=1S/C31H28Cl2FN3O3/c1-16(2)36-25(21-14-18(30(38)35-4)9-12-26(21)40-5)15-22-29(36)28(20-11-10-19(32)13-17(20)3)37(31(22)39)24-8-6-7-23(33)27(24)34/h6-16,28H,1-5H3,(H,35,38)/t28-/m0/s1
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Novartis AG

US Patent


Assay Description
Assay 2: The test is performed in white 384-well plates (Greiner Bio-One, reference 781207) in a total volume of 60 μL by adding 1 μL of compou...


Citation and Details
More data for this
Ligand-Target Pair
p53-MDM2


(Homo sapiens (Human))
BDBM236411
PNG
(US9365576, 164)
Show SMILES COc1nc(ncc1-c1c(C#N)c2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1)c1cc(Cl)c(=O)n(C)c1)N(C)C
Show InChI InChI=1S/C29H27Cl2N7O3/c1-15(2)37-24(20-13-33-29(35(3)4)34-26(20)41-6)19(12-32)22-25(37)23(16-7-9-17(30)10-8-16)38(28(22)40)18-11-21(31)27(39)36(5)14-18/h7-11,13-15,23H,1-6H3
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Novartis AG

US Patent


Assay Description
Assay 2: The test is performed in white 384-well plates (Greiner Bio-One, reference 781207) in a total volume of 60 μL by adding 1 μL of compou...


Citation and Details
More data for this
Ligand-Target Pair
p53-MDM2


(Homo sapiens (Human))
BDBM236403
PNG
(US9365576, 156)
Show SMILES COc1ncc(-c2cc3C(=O)N(C(c3n2C(C)C)c2ccc(Cl)cc2)c2cc(Cl)c(=O)n(C)c2F)c(OC)n1
Show InChI InChI=1S/C27H24Cl2FN5O4/c1-13(2)34-19(17-12-31-27(39-5)32-24(17)38-4)10-16-22(34)21(14-6-8-15(28)9-7-14)35(25(16)36)20-11-18(29)26(37)33(3)23(20)30/h6-13,21H,1-5H3
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Novartis AG

US Patent


Assay Description
Assay 2: The test is performed in white 384-well plates (Greiner Bio-One, reference 781207) in a total volume of 60 μL by adding 1 μL of compou...


Citation and Details
More data for this
Ligand-Target Pair
p53-MDM2


(Homo sapiens (Human))
BDBM236284
PNG
(US9365576, 37)
Show SMILES COc1ccc(cc1-c1cc2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1)c1cc(Cl)ccc1C)C(=O)NOCCO
Show InChI InChI=1S/C32H31Cl2N3O5/c1-18(2)36-27(24-15-21(8-12-28(24)41-4)31(39)35-42-14-13-38)17-25-30(36)29(20-6-10-22(33)11-7-20)37(32(25)40)26-16-23(34)9-5-19(26)3/h5-12,15-18,29,38H,13-14H2,1-4H3,(H,35,39)
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Novartis AG

US Patent


Assay Description
Assay 2: The test is performed in white 384-well plates (Greiner Bio-One, reference 781207) in a total volume of 60 μL by adding 1 μL of compou...


Citation and Details
More data for this
Ligand-Target Pair
p53-MDM2


(Homo sapiens (Human))
BDBM236439
PNG
(US9365576, 192)
Show SMILES COc1ncc(-c2cc3C(=O)N(C(c3n2C(C)C)c2ccc(Cl)c(F)c2)c2cc(Cl)c(=O)n(C)c2)c(OC)n1
Show InChI InChI=1S/C27H24Cl2FN5O4/c1-13(2)34-21(17-11-31-27(39-5)32-24(17)38-4)10-16-23(34)22(14-6-7-18(28)20(30)8-14)35(25(16)36)15-9-19(29)26(37)33(3)12-15/h6-13,22H,1-5H3
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Novartis AG

US Patent


Assay Description
Assay 2: The test is performed in white 384-well plates (Greiner Bio-One, reference 781207) in a total volume of 60 μL by adding 1 μL of compou...


Citation and Details
More data for this
Ligand-Target Pair
p53-MDM2


(Homo sapiens (Human))
BDBM236383
PNG
(US9365576, 136)
Show SMILES COc1nc(ncc1-c1cc2C(=O)N(C(c2n1C(C)C)c1ccc(cc1)C#N)c1c[nH]c(=O)c(Cl)c1)N(C)C
Show InChI InChI=1S/C28H26ClN7O3/c1-15(2)35-22(20-14-32-28(34(3)4)33-26(20)39-5)11-19-24(35)23(17-8-6-16(12-30)7-9-17)36(27(19)38)18-10-21(29)25(37)31-13-18/h6-11,13-15,23H,1-5H3,(H,31,37)
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Novartis AG

US Patent


Assay Description
Assay 2: The test is performed in white 384-well plates (Greiner Bio-One, reference 781207) in a total volume of 60 μL by adding 1 μL of compou...


Citation and Details
More data for this
Ligand-Target Pair
p53-MDM2


(Homo sapiens (Human))
BDBM236470
PNG
(US9365576, 226)
Show SMILES COc1nc(ncc1-c1c(C(O)=O)c2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1)c1cc(Cl)c(=O)n(C)c1)N(C)C
Show InChI InChI=1S/C29H28Cl2N6O5/c1-14(2)36-23(18-12-32-29(34(3)4)33-25(18)42-6)21(28(40)41)20-24(36)22(15-7-9-16(30)10-8-15)37(27(20)39)17-11-19(31)26(38)35(5)13-17/h7-14,22H,1-6H3,(H,40,41)
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Novartis AG

US Patent


Assay Description
Assay 2: The test is performed in white 384-well plates (Greiner Bio-One, reference 781207) in a total volume of 60 μL by adding 1 μL of compou...


Citation and Details
More data for this
Ligand-Target Pair
p53-MDM2


(Homo sapiens (Human))
BDBM236262
PNG
(US9365576, 15)
Show SMILES COc1ccc(cc1-c1cc2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1)c1cc(Cl)ccc1C)C(=O)N(C)C
Show InChI InChI=1S/C32H31Cl2N3O3/c1-18(2)36-27(24-15-21(31(38)35(4)5)10-14-28(24)40-6)17-25-30(36)29(20-8-12-22(33)13-9-20)37(32(25)39)26-16-23(34)11-7-19(26)3/h7-18,29H,1-6H3
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Novartis AG

US Patent


Assay Description
Assay 2: The test is performed in white 384-well plates (Greiner Bio-One, reference 781207) in a total volume of 60 μL by adding 1 μL of compou...


Citation and Details
More data for this
Ligand-Target Pair
p53-MDM2


(Homo sapiens (Human))
BDBM236464
PNG
(US9365576, 220)
Show SMILES CCOC(=O)c1c2C(=O)N(C(c2n(C(C)C)c1-c1cnc(OC)nc1OC)c1ccc(Cl)cc1)c1cc(Cl)c(=O)n(C)c1
Show InChI InChI=1S/C30H29Cl2N5O6/c1-7-43-29(40)22-21-25(36(15(2)3)24(22)19-13-33-30(42-6)34-26(19)41-5)23(16-8-10-17(31)11-9-16)37(28(21)39)18-12-20(32)27(38)35(4)14-18/h8-15,23H,7H2,1-6H3
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Novartis AG

US Patent


Assay Description
Assay 2: The test is performed in white 384-well plates (Greiner Bio-One, reference 781207) in a total volume of 60 μL by adding 1 μL of compou...


Citation and Details
More data for this
Ligand-Target Pair
p53-MDM2


(Homo sapiens (Human))
BDBM236296
PNG
(US9365576, 49)
Show SMILES CNC(=O)c1ccc(OC)c(c1)-c1cc2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1)c1cc(Cl)c(=O)n(C)c1
Show InChI InChI=1S/C30H28Cl2N4O4/c1-16(2)35-24(21-12-18(28(37)33-3)8-11-25(21)40-5)14-22-27(35)26(17-6-9-19(31)10-7-17)36(29(22)38)20-13-23(32)30(39)34(4)15-20/h6-16,26H,1-5H3,(H,33,37)
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Novartis AG

US Patent


Assay Description
Assay 2: The test is performed in white 384-well plates (Greiner Bio-One, reference 781207) in a total volume of 60 μL by adding 1 μL of compou...


Citation and Details
More data for this
Ligand-Target Pair
p53-MDM2


(Homo sapiens (Human))
BDBM236299
PNG
(US9365576, 52)
Show SMILES COc1nc(ncc1-c1cc2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1)c1cc(Cl)c(=O)n(C)c1)N(C)C
Show InChI InChI=1S/C28H28Cl2N6O3/c1-15(2)35-22(20-13-31-28(33(3)4)32-25(20)39-6)12-19-24(35)23(16-7-9-17(29)10-8-16)36(26(19)37)18-11-21(30)27(38)34(5)14-18/h7-15,23H,1-6H3
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Novartis AG

US Patent


Assay Description
Assay 2: The test is performed in white 384-well plates (Greiner Bio-One, reference 781207) in a total volume of 60 μL by adding 1 μL of compou...


Citation and Details
More data for this
Ligand-Target Pair
p53-MDM2


(Homo sapiens (Human))
BDBM236440
PNG
(US9365576, 193)
Show SMILES COc1nc(ncc1-c1cc2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)c(F)c1)c1cc(Cl)c(=O)n(C)c1)N(C)C
Show InChI InChI=1S/C28H27Cl2FN6O3/c1-14(2)36-22(18-12-32-28(34(3)4)33-25(18)40-6)11-17-24(36)23(15-7-8-19(29)21(31)9-15)37(26(17)38)16-10-20(30)27(39)35(5)13-16/h7-14,23H,1-6H3
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Novartis AG

US Patent


Assay Description
Assay 2: The test is performed in white 384-well plates (Greiner Bio-One, reference 781207) in a total volume of 60 μL by adding 1 μL of compou...


Citation and Details
More data for this
Ligand-Target Pair
p53-MDM2


(Homo sapiens (Human))
BDBM236465
PNG
(US9365576, 221)
Show SMILES COc1ncc(-c2c(C(O)=O)c3C(=O)N(C(c3n2C(C)C)c2ccc(Cl)cc2)c2cc(Cl)c(=O)n(C)c2)c(OC)n1
Show InChI InChI=1S/C28H25Cl2N5O6/c1-13(2)34-22(17-11-31-28(41-5)32-24(17)40-4)20(27(38)39)19-23(34)21(14-6-8-15(29)9-7-14)35(26(19)37)16-10-18(30)25(36)33(3)12-16/h6-13,21H,1-5H3,(H,38,39)
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Novartis AG

US Patent


Assay Description
Assay 2: The test is performed in white 384-well plates (Greiner Bio-One, reference 781207) in a total volume of 60 μL by adding 1 μL of compou...


Citation and Details
More data for this
Ligand-Target Pair
p53-MDM2


(Homo sapiens (Human))
BDBM236407
PNG
(US9365576, 160)
Show SMILES COc1ncc(-c2cc3C(=O)N([C@H](c3n2C(C)C)c2ccc(Cl)cc2C)c2cc(Cl)c(=O)n(C)c2)c(OC)n1
Show InChI InChI=1S/C28H27Cl2N5O4/c1-14(2)34-22(20-12-31-28(39-6)32-25(20)38-5)11-19-24(34)23(18-8-7-16(29)9-15(18)3)35(26(19)36)17-10-21(30)27(37)33(4)13-17/h7-14,23H,1-6H3/t23-/m0/s1
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Novartis AG

US Patent


Assay Description
Assay 2: The test is performed in white 384-well plates (Greiner Bio-One, reference 781207) in a total volume of 60 μL by adding 1 μL of compou...


Citation and Details
More data for this
Ligand-Target Pair
p53-MDM2


(Homo sapiens (Human))
BDBM236328
PNG
(US9365576, 81)
Show SMILES CNC(=O)Cc1ccc(OC)c(c1)-c1cc2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1)c1cc(Cl)ccc1C
Show InChI InChI=1S/C32H31Cl2N3O3/c1-18(2)36-27(24-14-20(15-29(38)35-4)7-13-28(24)40-5)17-25-31(36)30(21-8-11-22(33)12-9-21)37(32(25)39)26-16-23(34)10-6-19(26)3/h6-14,16-18,30H,15H2,1-5H3,(H,35,38)
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Novartis AG

US Patent


Assay Description
Assay 2: The test is performed in white 384-well plates (Greiner Bio-One, reference 781207) in a total volume of 60 μL by adding 1 μL of compou...


Citation and Details
More data for this
Ligand-Target Pair
p53-MDM2


(Homo sapiens (Human))
BDBM236294
PNG
(US9365576, 47)
Show SMILES COc1ccc(cc1-c1cc2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1)c1cc(Cl)c(=O)n(C)c1)C(=O)N1CCOCC1
Show InChI InChI=1S/C33H32Cl2N4O5/c1-19(2)38-27(24-15-21(7-10-28(24)43-4)31(40)37-11-13-44-14-12-37)17-25-30(38)29(20-5-8-22(34)9-6-20)39(32(25)41)23-16-26(35)33(42)36(3)18-23/h5-10,15-19,29H,11-14H2,1-4H3
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Novartis AG

US Patent


Assay Description
Assay 2: The test is performed in white 384-well plates (Greiner Bio-One, reference 781207) in a total volume of 60 μL by adding 1 μL of compou...


Citation and Details
More data for this
Ligand-Target Pair
p53-MDM2


(Homo sapiens (Human))
BDBM236329
PNG
(US9365576, 82)
Show SMILES COc1ccc(CC(=O)N(C)C)cc1-c1cc2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1)c1cc(Cl)ccc1C
Show InChI InChI=1S/C33H33Cl2N3O3/c1-19(2)37-28(25-15-21(8-14-29(25)41-6)16-30(39)36(4)5)18-26-32(37)31(22-9-12-23(34)13-10-22)38(33(26)40)27-17-24(35)11-7-20(27)3/h7-15,17-19,31H,16H2,1-6H3
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n/an/a 0.152n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Assay 2: The test is performed in white 384-well plates (Greiner Bio-One, reference 781207) in a total volume of 60 μL by adding 1 μL of compou...


Citation and Details
More data for this
Ligand-Target Pair
p53-MDM2


(Homo sapiens (Human))
BDBM236307
PNG
(US9365576, 60)
Show SMILES COc1ccc(CC(O)=O)cc1-c1cc2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1)c1cc(Cl)ccc1C
Show InChI InChI=1S/C31H28Cl2N2O4/c1-17(2)34-26(23-13-19(14-28(36)37)6-12-27(23)39-4)16-24-30(34)29(20-7-10-21(32)11-8-20)35(31(24)38)25-15-22(33)9-5-18(25)3/h5-13,15-17,29H,14H2,1-4H3,(H,36,37)
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n/an/a 0.155n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Assay 2: The test is performed in white 384-well plates (Greiner Bio-One, reference 781207) in a total volume of 60 μL by adding 1 μL of compou...


Citation and Details
More data for this
Ligand-Target Pair
p53-MDM2


(Homo sapiens (Human))
BDBM236456
PNG
(US9365576, 209)
Show SMILES COc1nc(ncc1-c1cc2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1)c1c(F)c(C)nn1C)N(C)C
Show InChI InChI=1S/C27H29ClFN7O2/c1-14(2)35-20(19-13-30-27(33(4)5)31-24(19)38-7)12-18-23(35)22(16-8-10-17(28)11-9-16)36(26(18)37)25-21(29)15(3)32-34(25)6/h8-14,22H,1-7H3
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n/an/a 0.158n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Assay 2: The test is performed in white 384-well plates (Greiner Bio-One, reference 781207) in a total volume of 60 μL by adding 1 μL of compou...


Citation and Details
More data for this
Ligand-Target Pair
p53-MDM2


(Homo sapiens (Human))
BDBM236414
PNG
(US9365576, 167)
Show SMILES COc1nc(ncc1-c1cc2C(=O)N([C@H](c2n1C(C)C)c1ccc(cc1)C#N)c1cc(Cl)c[nH]c1=O)N(C)C
Show InChI InChI=1S/C28H26ClN7O3/c1-15(2)35-21(20-14-32-28(34(3)4)33-26(20)39-5)11-19-24(35)23(17-8-6-16(12-30)7-9-17)36(27(19)38)22-10-18(29)13-31-25(22)37/h6-11,13-15,23H,1-5H3,(H,31,37)/t23-/m0/s1
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n/an/a 0.161n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Assay 2: The test is performed in white 384-well plates (Greiner Bio-One, reference 781207) in a total volume of 60 μL by adding 1 μL of compou...


Citation and Details
More data for this
Ligand-Target Pair
p53-MDM2


(Homo sapiens (Human))
BDBM236406
PNG
(US9365576, 159)
Show SMILES COc1nc(ncc1-c1cc2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1)C1CN(C)C(=O)N(C)C1)N(C)C
Show InChI InChI=1S/C28H34ClN7O3/c1-16(2)35-22(21-13-30-27(32(3)4)31-25(21)39-7)12-20-24(35)23(17-8-10-18(29)11-9-17)36(26(20)37)19-14-33(5)28(38)34(6)15-19/h8-13,16,19,23H,14-15H2,1-7H3
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n/an/a 0.161n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Assay 2: The test is performed in white 384-well plates (Greiner Bio-One, reference 781207) in a total volume of 60 μL by adding 1 μL of compou...


Citation and Details
More data for this
Ligand-Target Pair
p53-MDM2


(Homo sapiens (Human))
BDBM236320
PNG
(US9365576, 73)
Show SMILES COc1nc(ncc1-c1cc2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1)c1cc(Cl)cn(C)c1=O)N(C)C
Show InChI InChI=1S/C28H28Cl2N6O3/c1-15(2)35-21(20-13-31-28(33(3)4)32-25(20)39-6)12-19-24(35)23(16-7-9-17(29)10-8-16)36(26(19)37)22-11-18(30)14-34(5)27(22)38/h7-15,23H,1-6H3
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Novartis AG

US Patent


Assay Description
Assay 2: The test is performed in white 384-well plates (Greiner Bio-One, reference 781207) in a total volume of 60 μL by adding 1 μL of compou...


Citation and Details
More data for this
Ligand-Target Pair
p53-MDM2


(Homo sapiens (Human))
BDBM236306
PNG
(US9365576, 59)
Show SMILES COc1ccccc1-c1c(C#N)c2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1)c1cc(Cl)ccc1C
Show InChI InChI=1S/C30H25Cl2N3O2/c1-17(2)34-28(22-7-5-6-8-25(22)37-4)23(16-33)26-29(34)27(19-10-13-20(31)14-11-19)35(30(26)36)24-15-21(32)12-9-18(24)3/h5-15,17,27H,1-4H3
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Novartis AG

US Patent


Assay Description
Assay 2: The test is performed in white 384-well plates (Greiner Bio-One, reference 781207) in a total volume of 60 μL by adding 1 μL of compou...


Citation and Details
More data for this
Ligand-Target Pair
p53-MDM2


(Homo sapiens (Human))
BDBM236394
PNG
(US9365576, 147)
Show SMILES COc1nc(ncc1-c1cc2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1C)c1cc(Cl)c(=O)n(C)c1)N(C)C
Show InChI InChI=1S/C29H30Cl2N6O3/c1-15(2)36-23(21-13-32-29(34(4)5)33-26(21)40-7)12-20-25(36)24(19-9-8-17(30)10-16(19)3)37(27(20)38)18-11-22(31)28(39)35(6)14-18/h8-15,24H,1-7H3
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Novartis AG

US Patent


Assay Description
Assay 2: The test is performed in white 384-well plates (Greiner Bio-One, reference 781207) in a total volume of 60 μL by adding 1 μL of compou...


Citation and Details
More data for this
Ligand-Target Pair
p53-MDM2


(Homo sapiens (Human))
BDBM236399
PNG
(US9365576, 152)
Show SMILES CNc1ncc(-c2cc3C(=O)N(C(c3n2C(C)C)c2ccc(Cl)cc2)c2c[nH]c(=O)c(Cl)c2)c(OC)n1
Show InChI InChI=1S/C26H24Cl2N6O3/c1-13(2)33-20(18-12-31-26(29-3)32-24(18)37-4)10-17-22(33)21(14-5-7-15(27)8-6-14)34(25(17)36)16-9-19(28)23(35)30-11-16/h5-13,21H,1-4H3,(H,30,35)(H,29,31,32)
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n/an/a 0.166n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Assay 2: The test is performed in white 384-well plates (Greiner Bio-One, reference 781207) in a total volume of 60 μL by adding 1 μL of compou...


Citation and Details
More data for this
Ligand-Target Pair
p53-MDM2


(Homo sapiens (Human))
BDBM236291
PNG
(US9365576, 44)
Show SMILES COc1ncc(-c2cc3C(=O)N(C(c3n2C(C)C)c2ccc(cc2)C#N)c2cc(Cl)ccc2C)c(OC)n1
Show InChI InChI=1S/C29H26ClN5O3/c1-16(2)34-24(22-15-32-29(38-5)33-27(22)37-4)13-21-26(34)25(19-9-7-18(14-31)8-10-19)35(28(21)36)23-12-20(30)11-6-17(23)3/h6-13,15-16,25H,1-5H3
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Novartis AG

US Patent


Assay Description
Assay 2: The test is performed in white 384-well plates (Greiner Bio-One, reference 781207) in a total volume of 60 μL by adding 1 μL of compou...


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