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Patent code US10308660

Compile Data Set for Download or QSAR
Found 171 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
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM396004
PNG
(US10308660, Example 105)
Show SMILES COc1nccc(Sc2cnc(N3CCC4(CO[C@@H](C)[C@H]4N)CC3)n(C)c2=O)c1Cl
Show InChI InChI=1S/C20H26ClN5O3S/c1-12-16(22)20(11-29-12)5-8-26(9-6-20)19-24-10-14(18(27)25(19)2)30-13-4-7-23-17(28-3)15(13)21/h4,7,10,12,16H,5-6,8-9,11,22H2,1-3H3/t12-,16+/m0/s1
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n/an/a 8n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM395996
PNG
(US10308660, Example 97)
Show SMILES C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3cccc(Cl)c3Cl)c(=O)[nH]2)[C@@H]1N
Show InChI InChI=1/C19H22Cl2N4O2S/c1-11-16(22)19(10-27-11)5-7-25(8-6-19)18-23-9-14(17(26)24-18)28-13-4-2-3-12(20)15(13)21/h2-4,9,11,16H,5-8,10,22H2,1H3,(H,23,24,26)/t11-,16+/s2
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n/an/a 9n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM396001
PNG
(US10308660, Example 102)
Show SMILES CCOc1nccc(Sc2cnc(N3CCC4(CO[C@@H](C)[C@H]4N)CC3)n(C)c2=O)c1Cl
Show InChI InChI=1S/C21H28ClN5O3S/c1-4-29-18-16(22)14(5-8-24-18)31-15-11-25-20(26(3)19(15)28)27-9-6-21(7-10-27)12-30-13(2)17(21)23/h5,8,11,13,17H,4,6-7,9-10,12,23H2,1-3H3/t13-,17+/m0/s1
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM396023
PNG
(US10308660, Example 124)
Show SMILES C[C@H]1C[C@@H](N)C2(C1)CCN(CC2)c1nc(N)c(-c2ccc(C)c(Cl)c2)c(=O)n1C
Show InChI InChI=1S/C22H30ClN5O/c1-13-10-17(24)22(12-13)6-8-28(9-7-22)21-26-19(25)18(20(29)27(21)3)15-5-4-14(2)16(23)11-15/h4-5,11,13,17H,6-10,12,24-25H2,1-3H3/t13-,17+/m0/s1
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM396025
PNG
(US10308660, Example 126)
Show SMILES C[C@H]1C[C@@H](N)C2(C1)CCN(CC2)c1nc(N)c(-c2cccc(F)c2F)c(=O)n1C
Show InChI InChI=1S/C21H27F2N5O/c1-12-10-15(24)21(11-12)6-8-28(9-7-21)20-26-18(25)16(19(29)27(20)2)13-4-3-5-14(22)17(13)23/h3-5,12,15H,6-11,24-25H2,1-2H3/t12-,15+/m0/s1
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM396024
PNG
(US10308660, Example 125)
Show SMILES C[C@H]1C[C@@H](N)C2(C1)CCN(CC2)c1nc(N)c(-c2cccc(Cl)c2)c(=O)n1C
Show InChI InChI=1S/C21H28ClN5O/c1-13-10-16(23)21(12-13)6-8-27(9-7-21)20-25-18(24)17(19(28)26(20)2)14-4-3-5-15(22)11-14/h3-5,11,13,16H,6-10,12,23-24H2,1-2H3/t13-,16+/m0/s1
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM396022
PNG
(6-amino-2-((3S,4S)-4-amino-3-methyl-2-oxa-8-azaspi...)
Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc(N)c(Sc3ccc(Cl)c(C)c3)c(=O)n2C)[C@@H]1N
Show InChI InChI=1S/C21H28ClN5O2S/c1-12-10-14(4-5-15(12)22)30-16-18(24)25-20(26(3)19(16)28)27-8-6-21(7-9-27)11-29-13(2)17(21)23/h4-5,10,13,17H,6-9,11,23-24H2,1-3H3/t13-,17+/m0/s1
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM396026
PNG
(US10308660, Example 127)
Show SMILES C[C@H]1C[C@@H](N)C2(C1)CCN(CC2)c1nc(N)c(-c2ccc(F)c(F)c2)c(=O)n1C
Show InChI InChI=1S/C21H27F2N5O/c1-12-9-16(24)21(11-12)5-7-28(8-6-21)20-26-18(25)17(19(29)27(20)2)13-3-4-14(22)15(23)10-13/h3-4,10,12,16H,5-9,11,24-25H2,1-2H3/t12-,16+/m0/s1
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM395943
PNG
(US10308660, Example 19)
Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc(N)c(Sc3cc(N)nc(Cl)c3Cl)c(=O)n2C)[C@@H]1N
Show InChI InChI=1S/C19H25Cl2N7O2S/c1-9-14(23)19(8-30-9)3-5-28(6-4-19)18-26-16(24)13(17(29)27(18)2)31-10-7-11(22)25-15(21)12(10)20/h7,9,14H,3-6,8,23-24H2,1-2H3,(H2,22,25)/t9-,14+/m0/s1
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM395966
PNG
(US10308660, Example 42)
Show SMILES Cn1c(nc(N)c(Sc2ccnc(N)c2Cl)c1=O)N1CCC2(CC(F)(F)C[C@H]2N)CC1
Show InChI InChI=1S/C19H24ClF2N7OS/c1-28-16(30)13(31-10-2-5-26-14(24)12(10)20)15(25)27-17(28)29-6-3-18(4-7-29)9-19(21,22)8-11(18)23/h2,5,11H,3-4,6-9,23,25H2,1H3,(H2,24,26)/t11-/m1/s1
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM396028
PNG
(US10308660, Example 130)
Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc(N)c(-c3ccc(SC(F)(F)F)cc3)c(=O)n2C)[C@@H]1N
Show InChI InChI=1S/C21H26F3N5O2S/c1-12-16(25)20(11-31-12)7-9-29(10-8-20)19-27-17(26)15(18(30)28(19)2)13-3-5-14(6-4-13)32-21(22,23)24/h3-6,12,16H,7-11,25-26H2,1-2H3/t12-,16+/m0/s1
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM396027
PNG
(US10308660, Example 129)
Show SMILES C[C@H]1C[C@@H](N)C2(C1)CCN(CC2)c1nc(N)c(-c2cccc(Cl)c2Cl)c(=O)n1C
Show InChI InChI=1S/C21H27Cl2N5O/c1-12-10-15(24)21(11-12)6-8-28(9-7-21)20-26-18(25)16(19(29)27(20)2)13-4-3-5-14(22)17(13)23/h3-5,12,15H,6-11,24-25H2,1-2H3/t12-,15+/m0/s1
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM396002
PNG
(US10308660, Example 103)
Show SMILES C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3cccc(Cl)c3Cl)c(=O)n2C)[C@@H]1N
Show InChI InChI=1S/C20H24Cl2N4O2S/c1-12-17(23)20(11-28-12)6-8-26(9-7-20)19-24-10-15(18(27)25(19)2)29-14-5-3-4-13(21)16(14)22/h3-5,10,12,17H,6-9,11,23H2,1-2H3/t12-,17+/m0/s1
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM396019
PNG
(US10308660, Example 120)
Show SMILES C[C@@H]1OCC2(CCN(CC2)c2ccc(Sc3cccc(Cl)c3Cl)c(=O)[nH]2)[C@@H]1N
Show InChI InChI=1/C20H23Cl2N3O2S/c1-12-18(23)20(11-27-12)7-9-25(10-8-20)16-6-5-15(19(26)24-16)28-14-4-2-3-13(21)17(14)22/h2-6,12,18H,7-11,23H2,1H3,(H,24,26)/t12-,18+/s2
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM396086
PNG
(US10308660, Example 188)
Show SMILES C[C@@H]1CC2(CCN(CC2)c2nc(N)c(-c3ccccc3)c(=O)n2C)[C@H](N)[C@H]1F
Show InChI InChI=1S/C21H28FN5O/c1-13-12-21(17(23)16(13)22)8-10-27(11-9-21)20-25-18(24)15(19(28)26(20)2)14-6-4-3-5-7-14/h3-7,13,16-17H,8-12,23-24H2,1-2H3/t13-,16+,17-/m1/s1
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM395983
PNG
(US10308660, Example 60)
Show SMILES C[C@H]1C[C@@H](N)C2(C1)CCN(CC2)c1nc(N)c(Sc2cccc(N)c2Cl)c(=O)n1C
Show InChI InChI=1S/C21H29ClN6OS/c1-12-10-15(24)21(11-12)6-8-28(9-7-21)20-26-18(25)17(19(29)27(20)2)30-14-5-3-4-13(23)16(14)22/h3-5,12,15H,6-11,23-25H2,1-2H3/t12-,15+/m0/s1
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM396009
PNG
(US10308660, Example 110)
Show SMILES C[C@H]1C[C@@H](N)C2(C1)CCN(CC2)c1ncc(Sc2cc(N)ncc2Cl)c(=O)n1C
Show InChI InChI=1S/C20H27ClN6OS/c1-12-7-16(22)20(9-12)3-5-27(6-4-20)19-25-11-15(18(28)26(19)2)29-14-8-17(23)24-10-13(14)21/h8,10-12,16H,3-7,9,22H2,1-2H3,(H2,23,24)/t12-,16+/m0/s1
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM396030
PNG
(US10308660, Example 132)
Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc(N)c(-c3cccc(Cl)c3Cl)c(=O)n2C)[C@@H]1N
Show InChI InChI=1S/C20H25Cl2N5O2/c1-11-16(23)20(10-29-11)6-8-27(9-7-20)19-25-17(24)14(18(28)26(19)2)12-4-3-5-13(21)15(12)22/h3-5,11,16H,6-10,23-24H2,1-2H3/t11-,16+/m0/s1
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM396029
PNG
(US10308660, Example 131)
Show SMILES CC(C)c1ccc(cc1)-c1c(N)nc(N2CCC3(CO[C@@H](C)[C@H]3N)CC2)n(C)c1=O
Show InChI InChI=1S/C23H33N5O2/c1-14(2)16-5-7-17(8-6-16)18-20(25)26-22(27(4)21(18)29)28-11-9-23(10-12-28)13-30-15(3)19(23)24/h5-8,14-15,19H,9-13,24-25H2,1-4H3/t15-,19+/m0/s1
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM396031
PNG
(US10308660, Example 133)
Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc(N)c(-c3ccc(F)c(F)c3)c(=O)n2C)[C@@H]1N
Show InChI InChI=1S/C20H25F2N5O2/c1-11-16(23)20(10-29-11)5-7-27(8-6-20)19-25-17(24)15(18(28)26(19)2)12-3-4-13(21)14(22)9-12/h3-4,9,11,16H,5-8,10,23-24H2,1-2H3/t11-,16+/m0/s1
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM395944
PNG
(US10308660, Example 20)
Show SMILES COc1cccc(Sc2c(N)nc(N3CCC4(CO[C@@H](C)[C@H]4N)CC3)n(C)c2=O)c1Cl
Show InChI InChI=1S/C21H28ClN5O3S/c1-12-17(23)21(11-30-12)7-9-27(10-8-21)20-25-18(24)16(19(28)26(20)2)31-14-6-4-5-13(29-3)15(14)22/h4-6,12,17H,7-11,23-24H2,1-3H3/t12-,17+/m0/s1
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM395956
PNG
(US10308660, Example 32)
Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc(N)c(Sc3ccnc(C4CC4)c3Cl)c(=O)n2C)[C@@H]1N
Show InChI InChI=1S/C22H29ClN6O2S/c1-12-18(24)22(11-31-12)6-9-29(10-7-22)21-27-19(25)17(20(30)28(21)2)32-14-5-8-26-16(15(14)23)13-3-4-13/h5,8,12-13,18H,3-4,6-7,9-11,24-25H2,1-2H3/t12-,18+/m0/s1
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM395967
PNG
(US10308660, Example 43)
Show SMILES Cn1c(nc(N)c(Sc2cccnc2C(F)(F)F)c1=O)N1CCC2(CC(F)(F)C[C@H]2N)CC1
Show InChI InChI=1S/C20H23F5N6OS/c1-30-16(32)13(33-11-3-2-6-28-14(11)20(23,24)25)15(27)29-17(30)31-7-4-18(5-8-31)10-19(21,22)9-12(18)26/h2-3,6,12H,4-5,7-10,26-27H2,1H3/t12-/m1/s1
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM396011
PNG
(US10308660, Example 112)
Show SMILES C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3cc(N)nc(Cl)c3Cl)c(=O)n2C)[C@@H]1N
Show InChI InChI=1S/C19H24Cl2N6O2S/c1-10-15(23)19(9-29-10)3-5-27(6-4-19)18-24-8-12(17(28)26(18)2)30-11-7-13(22)25-16(21)14(11)20/h7-8,10,15H,3-6,9,23H2,1-2H3,(H2,22,25)/t10-,15+/m0/s1
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM396033
PNG
(US10308660, Example 135)
Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc(N)c(-c3cccc(Cl)c3)c(=O)n2C)[C@@H]1N
Show InChI InChI=1S/C20H26ClN5O2/c1-12-16(22)20(11-28-12)6-8-26(9-7-20)19-24-17(23)15(18(27)25(19)2)13-4-3-5-14(21)10-13/h3-5,10,12,16H,6-9,11,22-23H2,1-2H3/t12-,16+/m0/s1
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM396032
PNG
(US10308660, Example 134)
Show SMILES C[C@H]1C[C@@H](N)C2(C1)CCN(CC2)c1nc(N)c(-c2ccc(SC(F)(F)F)cc2)c(=O)n1C
Show InChI InChI=1S/C22H28F3N5OS/c1-13-11-16(26)21(12-13)7-9-30(10-8-21)20-28-18(27)17(19(31)29(20)2)14-3-5-15(6-4-14)32-22(23,24)25/h3-6,13,16H,7-12,26-27H2,1-2H3/t13-,16+/m0/s1
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM395955
PNG
(US10308660, Example 31)
Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc(N)c(Sc3cccc(N)c3C(F)(F)F)c(=O)n2C)[C@@H]1N
Show InChI InChI=1S/C21H27F3N6O2S/c1-11-16(26)20(10-32-11)6-8-30(9-7-20)19-28-17(27)15(18(31)29(19)2)33-13-5-3-4-12(25)14(13)21(22,23)24/h3-5,11,16H,6-10,25-27H2,1-2H3/t11-,16+/m0/s1
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM396034
PNG
(US10308660, Example 136)
Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc(N)c(-c3ccc(Cl)cc3)c(=O)n2C)[C@@H]1N
Show InChI InChI=1S/C20H26ClN5O2/c1-12-16(22)20(11-28-12)7-9-26(10-8-20)19-24-17(23)15(18(27)25(19)2)13-3-5-14(21)6-4-13/h3-6,12,16H,7-11,22-23H2,1-2H3/t12-,16+/m0/s1
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM395989
PNG
(US10308660, Example 66)
Show SMILES C[C@H]1C[C@@H](N)C2(C1)CCN(CC2)c1nc(N)c(Sc2cccnc2Cl)c(=O)n1C
Show InChI InChI=1S/C20H27ClN6OS/c1-12-10-14(22)20(11-12)5-8-27(9-6-20)19-25-17(23)15(18(28)26(19)2)29-13-4-3-7-24-16(13)21/h3-4,7,12,14H,5-6,8-11,22-23H2,1-2H3/t12-,14+/m0/s1
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM395926
PNG
(6-amino-2-(4-(aminomethyl)-4-methylpiperidin-1-yl)...)
Show SMILES Cn1c(nc(N)c(Sc2cccc(Cl)c2Cl)c1=O)N1CCC(C)(CN)CC1
Show InChI InChI=1S/C18H23Cl2N5OS/c1-18(10-21)6-8-25(9-7-18)17-23-15(22)14(16(26)24(17)2)27-12-5-3-4-11(19)13(12)20/h3-5H,6-10,21-22H2,1-2H3
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM396090
PNG
(US10308660, Example 192)
Show SMILES Cn1c(nc(N)c(-c2cccc(Cl)c2Cl)c1=O)N1CCC2(CCC[C@H]2N)CC1
Show InChI InChI=1S/C20H25Cl2N5O/c1-26-18(28)15(12-4-2-5-13(21)16(12)22)17(24)25-19(26)27-10-8-20(9-11-27)7-3-6-14(20)23/h2,4-5,14H,3,6-11,23-24H2,1H3/t14-/m1/s1
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM396035
PNG
(US10308660, Example 137)
Show SMILES Cn1c(nc(N)c(-c2cccc(Cl)c2Cl)c1=O)N1CCC2(CC(F)(F)C[C@H]2N)CC1
Show InChI InChI=1S/C20H23Cl2F2N5O/c1-28-17(30)14(11-3-2-4-12(21)15(11)22)16(26)27-18(28)29-7-5-19(6-8-29)10-20(23,24)9-13(19)25/h2-4,13H,5-10,25-26H2,1H3/t13-/m1/s1
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM395940
PNG
(US10308660, Example 16)
Show SMILES Cn1c(nc(N)c(Sc2ccnc(N)c2Cl)c1=O)N1CCC2(COC[C@H]2N)CC1
Show InChI InChI=1S/C18H24ClN7O2S/c1-25-16(27)13(29-10-2-5-23-14(21)12(10)19)15(22)24-17(25)26-6-3-18(4-7-26)9-28-8-11(18)20/h2,5,11H,3-4,6-9,20,22H2,1H3,(H2,21,23)/t11-/m1/s1
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM395994
PNG
(US10308660, Example 95)
Show SMILES CCOc1nccc(Sc2cnc([nH]c2=O)N2CCC3(CO[C@@H](C)[C@H]3N)CC2)c1Cl
Show InChI InChI=1/C20H26ClN5O3S/c1-3-28-18-15(21)13(4-7-23-18)30-14-10-24-19(25-17(14)27)26-8-5-20(6-9-26)11-29-12(2)16(20)22/h4,7,10,12,16H,3,5-6,8-9,11,22H2,1-2H3,(H,24,25,27)/t12-,16+/s2
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM395942
PNG
(US10308660, Example 18)
Show SMILES C[C@H]1C[C@@H](N)C2(C1)CCN(CC2)c1nc(N)c(Sc2cccnc2C(F)(F)F)c(=O)n1C
Show InChI InChI=1S/C21H27F3N6OS/c1-12-10-14(25)20(11-12)5-8-30(9-6-20)19-28-17(26)15(18(31)29(19)2)32-13-4-3-7-27-16(13)21(22,23)24/h3-4,7,12,14H,5-6,8-11,25-26H2,1-2H3/t12-,14+/m0/s1
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM395947
PNG
(US10308660, Example 23)
Show SMILES COc1nccc(Sc2c(N)nc(N3CCC4(CO[C@@H](C)[C@H]4N)CC3)n(C)c2=O)c1Cl
Show InChI InChI=1S/C20H27ClN6O3S/c1-11-15(22)20(10-30-11)5-8-27(9-6-20)19-25-16(23)14(18(28)26(19)2)31-12-4-7-24-17(29-3)13(12)21/h4,7,11,15H,5-6,8-10,22-23H2,1-3H3/t11-,15+/m0/s1
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM395959
PNG
(US10308660, Example 35)
Show SMILES Cn1c(nc(N)c(Sc2cccnc2C(F)(F)F)c1=O)N1CCC2(C[C@H](F)C[C@H]2N)CC1
Show InChI InChI=1S/C20H24F4N6OS/c1-29-17(31)14(32-12-3-2-6-27-15(12)20(22,23)24)16(26)28-18(29)30-7-4-19(5-8-30)10-11(21)9-13(19)25/h2-3,6,11,13H,4-5,7-10,25-26H2,1H3/t11-,13-/m1/s1
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM396036
PNG
(US10308660, Example 138)
Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc(N)c(-c3ccccc3)c(=O)n2C)[C@@H]1N
Show InChI InChI=1S/C20H27N5O2/c1-13-16(21)20(12-27-13)8-10-25(11-9-20)19-23-17(22)15(18(26)24(19)2)14-6-4-3-5-7-14/h3-7,13,16H,8-12,21-22H2,1-2H3/t13-,16+/m0/s1
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM395985
PNG
(US10308660, Example 62)
Show SMILES C[C@H]1C[C@@H](N)C2(C1)CCN(CC2)c1nc(N)c(Sc2ccnc(N3CCCC3)c2Cl)c(=O)n1C
Show InChI InChI=1S/C24H34ClN7OS/c1-15-13-17(26)24(14-15)6-11-32(12-7-24)23-29-20(27)19(22(33)30(23)2)34-16-5-8-28-21(18(16)25)31-9-3-4-10-31/h5,8,15,17H,3-4,6-7,9-14,26-27H2,1-2H3/t15-,17+/m0/s1
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM395951
PNG
(US10308660, Example 27)
Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc(N)c(Sc3ccccc3Cl)c(=O)n2C)[C@@H]1N
Show InChI InChI=1S/C20H26ClN5O2S/c1-12-16(22)20(11-28-12)7-9-26(10-8-20)19-24-17(23)15(18(27)25(19)2)29-14-6-4-3-5-13(14)21/h3-6,12,16H,7-11,22-23H2,1-2H3/t12-,16+/m0/s1
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM396037
PNG
(US10308660, Example 139)
Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc(N)c(-c3ccc(OC4CC4)cc3)c(=O)n2C)[C@@H]1N
Show InChI InChI=1S/C23H31N5O3/c1-14-19(24)23(13-30-14)9-11-28(12-10-23)22-26-20(25)18(21(29)27(22)2)15-3-5-16(6-4-15)31-17-7-8-17/h3-6,14,17,19H,7-13,24-25H2,1-2H3/t14-,19+/m0/s1
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM396038
PNG
(US10308660, Example 140)
Show SMILES C[C@H]1C[C@@H](N)C2(C1)CCN(CC2)c1nc(N)c(-c2ccccc2)c(=O)n1C
Show InChI InChI=1S/C21H29N5O/c1-14-12-16(22)21(13-14)8-10-26(11-9-21)20-24-18(23)17(19(27)25(20)2)15-6-4-3-5-7-15/h3-7,14,16H,8-13,22-23H2,1-2H3/t14-,16+/m0/s1
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM396039
PNG
(US10308660, Example 141)
Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc(N)c(-c3ccc(Cl)c(F)c3)c(=O)n2C)[C@@H]1N
Show InChI InChI=1S/C20H25ClFN5O2/c1-11-16(23)20(10-29-11)5-7-27(8-6-20)19-25-17(24)15(18(28)26(19)2)12-3-4-13(21)14(22)9-12/h3-4,9,11,16H,5-8,10,23-24H2,1-2H3/t11-,16+/m0/s1
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM396008
PNG
(US10308660, Example 109)
Show SMILES Cn1c(ncc(Sc2cccc(Cl)c2Cl)c1=O)N1CCC2(CCC[C@H]2N)CC1
Show InChI InChI=1S/C20H24Cl2N4OS/c1-25-18(27)15(28-14-5-2-4-13(21)17(14)22)12-24-19(25)26-10-8-20(9-11-26)7-3-6-16(20)23/h2,4-5,12,16H,3,6-11,23H2,1H3/t16-/m1/s1
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM396089
PNG
(US10308660, Example 191)
Show SMILES Cn1c(nc(N)c(-c2ccccc2)c1=O)N1CCC2(CCC[C@H]2N)CC1
Show InChI InChI=1S/C20H27N5O/c1-24-18(26)16(14-6-3-2-4-7-14)17(22)23-19(24)25-12-10-20(11-13-25)9-5-8-15(20)21/h2-4,6-7,15H,5,8-13,21-22H2,1H3/t15-/m1/s1
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM396040
PNG
(US10308660, Example 142)
Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc(N)c(-c3ccc(Oc4ccccc4)cc3)c(=O)n2C)[C@@H]1N
Show InChI InChI=1S/C26H31N5O3/c1-17-22(27)26(16-33-17)12-14-31(15-13-26)25-29-23(28)21(24(32)30(25)2)18-8-10-20(11-9-18)34-19-6-4-3-5-7-19/h3-11,17,22H,12-16,27-28H2,1-2H3/t17-,22+/m0/s1
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM395945
PNG
(US10308660, Example 21)
Show SMILES C[C@H]1C[C@@H](N)C2(C1)CCN(CC2)c1nc(N)c(Sc2ccnc(N)c2Cl)c(=O)n1C
Show InChI InChI=1S/C20H28ClN7OS/c1-11-9-13(22)20(10-11)4-7-28(8-5-20)19-26-17(24)15(18(29)27(19)2)30-12-3-6-25-16(23)14(12)21/h3,6,11,13H,4-5,7-10,22,24H2,1-2H3,(H2,23,25)/t11-,13+/m0/s1
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM396041
PNG
(US10308660, Example 143)
Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc(N)c(-c3cccc(F)c3F)c(=O)n2C)[C@@H]1N
Show InChI InChI=1S/C20H25F2N5O2/c1-11-16(23)20(10-29-11)6-8-27(9-7-20)19-25-17(24)14(18(28)26(19)2)12-4-3-5-13(21)15(12)22/h3-5,11,16H,6-10,23-24H2,1-2H3/t11-,16+/m0/s1
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM395952
PNG
(US10308660, Example 28)
Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc(N)c(Sc3ccnc(N4CCCC4)c3Cl)c(=O)n2C)[C@@H]1N
Show InChI InChI=1S/C23H32ClN7O2S/c1-14-18(25)23(13-33-14)6-11-31(12-7-23)22-28-19(26)17(21(32)29(22)2)34-15-5-8-27-20(16(15)24)30-9-3-4-10-30/h5,8,14,18H,3-4,6-7,9-13,25-26H2,1-2H3/t14-,18+/m0/s1
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM395965
PNG
(US10308660, Example 41)
Show SMILES C[C@@H]1CC2(CCN(CC2)c2nc(N)c(Sc3cccnc3C(F)(F)F)c(=O)n2C)[C@H](N)[C@H]1F
Show InChI InChI=1S/C21H26F4N6OS/c1-11-10-20(15(26)13(11)22)5-8-31(9-6-20)19-29-17(27)14(18(32)30(19)2)33-12-4-3-7-28-16(12)21(23,24)25/h3-4,7,11,13,15H,5-6,8-10,26-27H2,1-2H3/t11-,13+,15-/m1/s1
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM395962
PNG
(US10308660, Example 38)
Show SMILES C[C@@H]1CC2(CCN(CC2)c2nc(N)c(Sc3ccnc(N)c3Cl)c(=O)n2C)[C@H](N)[C@@H]1F
Show InChI InChI=1S/C20H27ClFN7OS/c1-10-9-20(15(23)13(10)22)4-7-29(8-5-20)19-27-17(25)14(18(30)28(19)2)31-11-3-6-26-16(24)12(11)21/h3,6,10,13,15H,4-5,7-9,23,25H2,1-2H3,(H2,24,26)/t10-,13-,15-/m1/s1
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM396005
PNG
(US10308660, Example 106)
Show SMILES COc1cccc(Sc2cnc(N3CCC4(CO[C@@H](C)[C@H]4N)CC3)n(C)c2=O)c1Cl
Show InChI InChI=1S/C21H27ClN4O3S/c1-13-18(23)21(12-29-13)7-9-26(10-8-21)20-24-11-16(19(27)25(20)2)30-15-6-4-5-14(28-3)17(15)22/h4-6,11,13,18H,7-10,12,23H2,1-3H3/t13-,18+/m0/s1
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM395995
PNG
(US10308660, Example 96)
Show SMILES C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3cccnc3C(F)(F)F)c(=O)[nH]2)[C@@H]1N
Show InChI InChI=1/C19H22F3N5O2S/c1-11-14(23)18(10-29-11)4-7-27(8-5-18)17-25-9-13(16(28)26-17)30-12-3-2-6-24-15(12)19(20,21)22/h2-3,6,9,11,14H,4-5,7-8,10,23H2,1H3,(H,25,26,28)/t11-,14+/s2
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM395953
PNG
(US10308660, Example 29)
Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc(N)c(Sc3cccc(NC4CC4)c3Cl)c(=O)n2C)[C@@H]1N
Show InChI InChI=1S/C23H31ClN6O2S/c1-13-19(25)23(12-32-13)8-10-30(11-9-23)22-28-20(26)18(21(31)29(22)2)33-16-5-3-4-15(17(16)24)27-14-6-7-14/h3-5,13-14,19,27H,6-12,25-26H2,1-2H3/t13-,19+/m0/s1
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM395954
PNG
(US10308660, Example 30)
Show SMILES CCOc1nccc(Sc2c(N)nc(N3CCC4(CO[C@@H](C)[C@H]4N)CC3)n(C)c2=O)c1Cl
Show InChI InChI=1S/C21H29ClN6O3S/c1-4-30-18-14(22)13(5-8-25-18)32-15-17(24)26-20(27(3)19(15)29)28-9-6-21(7-10-28)11-31-12(2)16(21)23/h5,8,12,16H,4,6-7,9-11,23-24H2,1-3H3/t12-,16+/m0/s1
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM395939
PNG
(US10308660, Example 15)
Show SMILES Cn1c(cc(N)c(Sc2cccc(Cl)c2Cl)c1=O)N1CCC2(COC[C@H]2N)CC1
Show InChI InChI=1S/C20H24Cl2N4O2S/c1-25-16(26-7-5-20(6-8-26)11-28-10-15(20)24)9-13(23)18(19(25)27)29-14-4-2-3-12(21)17(14)22/h2-4,9,15H,5-8,10-11,23-24H2,1H3/t15-/m1/s1
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM395936
PNG
(US10308660, Example 12)
Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc(N)c(Sc3cccc(Cl)c3Cl)c(=O)n2C)[C@@H]1N
Show InChI InChI=1S/C20H25Cl2N5O2S/c1-11-16(23)20(10-29-11)6-8-27(9-7-20)19-25-17(24)15(18(28)26(19)2)30-13-5-3-4-12(21)14(13)22/h3-5,11,16H,6-10,23-24H2,1-2H3/t11-,16+/m0/s1
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM395941
PNG
(US10308660, Example 17 | US10308660, Example 63)
Show SMILES Cn1c(nc(N)c(Sc2cccnc2C(F)(F)F)c1=O)N1CCC2(COC[C@H]2N)CC1
Show InChI InChI=1S/C19H23F3N6O2S/c1-27-16(29)13(31-11-3-2-6-25-14(11)19(20,21)22)15(24)26-17(27)28-7-4-18(5-8-28)10-30-9-12(18)23/h2-3,6,12H,4-5,7-10,23-24H2,1H3/t12-/m1/s1
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM395941
PNG
(US10308660, Example 17 | US10308660, Example 63)
Show SMILES Cn1c(nc(N)c(Sc2cccnc2C(F)(F)F)c1=O)N1CCC2(COC[C@H]2N)CC1
Show InChI InChI=1S/C19H23F3N6O2S/c1-27-16(29)13(31-11-3-2-6-25-14(11)19(20,21)22)15(24)26-17(27)28-7-4-18(5-8-28)10-30-9-12(18)23/h2-3,6,12H,4-5,7-10,23-24H2,1H3/t12-/m1/s1
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM396043
PNG
(US10308660, Example 145)
Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc(N)c(-c3ccc(OC(F)F)cc3)c(=O)n2C)[C@@H]1N
Show InChI InChI=1S/C21H27F2N5O3/c1-12-16(24)21(11-30-12)7-9-28(10-8-21)20-26-17(25)15(18(29)27(20)2)13-3-5-14(6-4-13)31-19(22)23/h3-6,12,16,19H,7-11,24-25H2,1-2H3/t12-,16+/m0/s1
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM396042
PNG
(US10308660, Example 144)
Show SMILES CC[C@@H]1OCC2(CCN(CC2)c2nc(N)c(-c3ccccc3)c(=O)n2C)[C@@H]1N
Show InChI InChI=1S/C21H29N5O2/c1-3-15-17(22)21(13-28-15)9-11-26(12-10-21)20-24-18(23)16(19(27)25(20)2)14-7-5-4-6-8-14/h4-8,15,17H,3,9-13,22-23H2,1-2H3/t15-,17+/m0/s1
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM396012
PNG
(US10308660, Example 113)
Show SMILES C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3ccnc(N)c3Cl)c(=O)n2C)[C@@H]1N
Show InChI InChI=1S/C19H25ClN6O2S/c1-11-15(21)19(10-28-11)4-7-26(8-5-19)18-24-9-13(17(27)25(18)2)29-12-3-6-23-16(22)14(12)20/h3,6,9,11,15H,4-5,7-8,10,21H2,1-2H3,(H2,22,23)/t11-,15+/m0/s1
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM396000
PNG
(US10308660, Example 101)
Show SMILES Cn1c(ncc(Sc2cccc(Cl)c2Cl)c1=O)N1CCC2(COC[C@H]2N)CC1
Show InChI InChI=1S/C19H22Cl2N4O2S/c1-24-17(26)14(28-13-4-2-3-12(20)16(13)21)9-23-18(24)25-7-5-19(6-8-25)11-27-10-15(19)22/h2-4,9,15H,5-8,10-11,22H2,1H3/t15-/m1/s1
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM395949
PNG
(US10308660, Example 25)
Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc(N)c(Sc3cccc(N)c3Cl)c(=O)n2C)[C@@H]1N
Show InChI InChI=1S/C20H27ClN6O2S/c1-11-16(23)20(10-29-11)6-8-27(9-7-20)19-25-17(24)15(18(28)26(19)2)30-13-5-3-4-12(22)14(13)21/h3-5,11,16H,6-10,22-24H2,1-2H3/t11-,16+/m0/s1
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM396044
PNG
(US10308660, Example 146)
Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc(N)c(-c3ccc(F)cc3)c(=O)n2C)[C@@H]1N
Show InChI InChI=1S/C20H26FN5O2/c1-12-16(22)20(11-28-12)7-9-26(10-8-20)19-24-17(23)15(18(27)25(19)2)13-3-5-14(21)6-4-13/h3-6,12,16H,7-11,22-23H2,1-2H3/t12-,16+/m0/s1
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM395937
PNG
(US10308660, Example 13)
Show SMILES Cn1c(nc(N)c(Sc2cccc(Cl)c2Cl)c1=O)N1CCC2(CCC[C@H]2N)CC1
Show InChI InChI=1S/C20H25Cl2N5OS/c1-26-18(28)16(29-13-5-2-4-12(21)15(13)22)17(24)25-19(26)27-10-8-20(9-11-27)7-3-6-14(20)23/h2,4-5,14H,3,6-11,23-24H2,1H3/t14-/m1/s1
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM396045
PNG
(US10308660, Example 147)
Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc(N)c(-c3ccc(OCC4CC4)cc3)c(=O)n2C)[C@@H]1N
Show InChI InChI=1S/C24H33N5O3/c1-15-20(25)24(14-32-15)9-11-29(12-10-24)23-27-21(26)19(22(30)28(23)2)17-5-7-18(8-6-17)31-13-16-3-4-16/h5-8,15-16,20H,3-4,9-14,25-26H2,1-2H3/t15-,20+/m0/s1
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM396091
PNG
(US10308660, Example 193)
Show SMILES Cn1c(nc(N)c(-c2cccc(Cl)c2Cl)c1=O)N1CCC(C)(CN)CC1
Show InChI InChI=1S/C18H23Cl2N5O/c1-18(10-21)6-8-25(9-7-18)17-23-15(22)13(16(26)24(17)2)11-4-3-5-12(19)14(11)20/h3-5H,6-10,21-22H2,1-2H3
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM395957
PNG
(US10308660, Example 33)
Show SMILES C[C@@H]1CC2(CCN(CC2)c2nc(N)c(Sc3cccnc3C(F)(F)F)c(=O)n2C)[C@H](N)C1(F)F
Show InChI InChI=1S/C21H25F5N6OS/c1-11-10-19(17(28)20(11,22)23)5-8-32(9-6-19)18-30-15(27)13(16(33)31(18)2)34-12-4-3-7-29-14(12)21(24,25)26/h3-4,7,11,17H,5-6,8-10,27-28H2,1-2H3/t11-,17+/m1/s1
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM396010
PNG
(US10308660, Example 111)
Show SMILES C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3cccnc3C(F)(F)F)c(=O)n2C)[C@@H]1N
Show InChI InChI=1S/C20H24F3N5O2S/c1-12-15(24)19(11-30-12)5-8-28(9-6-19)18-26-10-14(17(29)27(18)2)31-13-4-3-7-25-16(13)20(21,22)23/h3-4,7,10,12,15H,5-6,8-9,11,24H2,1-2H3/t12-,15+/m0/s1
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM396087
PNG
(US10308660, Example 189)
Show SMILES Cn1c(nc(N)c(-c2ccccc2)c1=O)N1CCC2(COC[C@H]2N)CC1
Show InChI InChI=1S/C19H25N5O2/c1-23-17(25)15(13-5-3-2-4-6-13)16(21)22-18(23)24-9-7-19(8-10-24)12-26-11-14(19)20/h2-6,14H,7-12,20-21H2,1H3/t14-/m1/s1
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM395982
PNG
(US10308660, Example 59)
Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc(N)c(Sc3ccnc(c3Cl)C(F)(F)F)c(=O)n2C)[C@@H]1N
Show InChI InChI=1S/C20H24ClF3N6O2S/c1-10-14(25)19(9-32-10)4-7-30(8-5-19)18-28-16(26)13(17(31)29(18)2)33-11-3-6-27-15(12(11)21)20(22,23)24/h3,6,10,14H,4-5,7-9,25-26H2,1-2H3/t10-,14+/m0/s1
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM396047
PNG
(US10308660, Example 149)
Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc(N)c(-c3ccc(OCc4ccccc4)cc3)c(=O)n2C)[C@@H]1N
Show InChI InChI=1S/C27H33N5O3/c1-18-23(28)27(17-35-18)12-14-32(15-13-27)26-30-24(29)22(25(33)31(26)2)20-8-10-21(11-9-20)34-16-19-6-4-3-5-7-19/h3-11,18,23H,12-17,28-29H2,1-2H3/t18-,23+/m0/s1
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM396046
PNG
(US10308660, Example 148)
Show SMILES Cn1c(nc(N)c(-c2cccc(Cl)c2Cl)c1=O)N1CCC2(C[C@H](C[C@H]2N)C(F)(F)F)CC1
Show InChI InChI=1S/C21H24Cl2F3N5O/c1-30-18(32)15(12-3-2-4-13(22)16(12)23)17(28)29-19(30)31-7-5-20(6-8-31)10-11(9-14(20)27)21(24,25)26/h2-4,11,14H,5-10,27-28H2,1H3/t11-,14+/m0/s1
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM396048
PNG
(US10308660, Example 150)
Show SMILES Cn1c(nc(N)c(-c2ccccc2)c1=O)N1CCC2(CC(F)(F)C[C@H]2N)CC1
Show InChI InChI=1S/C20H25F2N5O/c1-26-17(28)15(13-5-3-2-4-6-13)16(24)25-18(26)27-9-7-19(8-10-27)12-20(21,22)11-14(19)23/h2-6,14H,7-12,23-24H2,1H3/t14-/m1/s1
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM396049
PNG
(US10308660, Example 151)
Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc(N)c(-c3cccc(F)c3)c(=O)n2C)[C@@H]1N
Show InChI InChI=1S/C20H26FN5O2/c1-12-16(22)20(11-28-12)6-8-26(9-7-20)19-24-17(23)15(18(27)25(19)2)13-4-3-5-14(21)10-13/h3-5,10,12,16H,6-9,11,22-23H2,1-2H3/t12-,16+/m0/s1
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM395927
PNG
(US10308660, Example 3)
Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc(N)c(Sc3ccnc(N)c3Cl)c(=O)n2C)[C@@H]1N
Show InChI InChI=1S/C19H26ClN7O2S/c1-10-14(21)19(9-29-10)4-7-27(8-5-19)18-25-16(23)13(17(28)26(18)2)30-11-3-6-24-15(22)12(11)20/h3,6,10,14H,4-5,7-9,21,23H2,1-2H3,(H2,22,24)/t10-,14+/m0/s1
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM395978
PNG
(US10308660, Example 55)
Show SMILES Cn1c(nc(N)c(Sc2cccc3ccccc23)c1=O)N1CCC(C)(CN)CC1
Show InChI InChI=1S/C22H27N5OS/c1-22(14-23)10-12-27(13-11-22)21-25-19(24)18(20(28)26(21)2)29-17-9-5-7-15-6-3-4-8-16(15)17/h3-9H,10-14,23-24H2,1-2H3
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM396050
PNG
(US10308660, Example 152)
Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc(N)c(-c3ccccc3Cl)c(=O)n2C)[C@@H]1N
Show InChI InChI=1S/C20H26ClN5O2/c1-12-16(22)20(11-28-12)7-9-26(10-8-20)19-24-17(23)15(18(27)25(19)2)13-5-3-4-6-14(13)21/h3-6,12,16H,7-11,22-23H2,1-2H3/t12-,16+/m0/s1
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM396052
PNG
(US10308660, Example 154)
Show SMILES Cn1c(nc(N)c(-c2ccccc2)c1=O)N1CCC2(C[C@H](F)C[C@H]2N)CC1
Show InChI InChI=1S/C20H26FN5O/c1-25-18(27)16(13-5-3-2-4-6-13)17(23)24-19(25)26-9-7-20(8-10-26)12-14(21)11-15(20)22/h2-6,14-15H,7-12,22-23H2,1H3/t14-,15-/m1/s1
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM396051
PNG
(US10308660, Example 153)
Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc(N)c(-c3ccccc3F)c(=O)n2C)[C@@H]1N
Show InChI InChI=1S/C20H26FN5O2/c1-12-16(22)20(11-28-12)7-9-26(10-8-20)19-24-17(23)15(18(27)25(19)2)13-5-3-4-6-14(13)21/h3-6,12,16H,7-11,22-23H2,1-2H3/t12-,16+/m0/s1
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM395933
PNG
(US10308660, Example 9)
Show SMILES COc1cccc(Sc2c(N)nc(N3CCC(C)(CN)CC3)n(C)c2=O)c1Cl
Show InChI InChI=1S/C19H26ClN5O2S/c1-19(11-21)7-9-25(10-8-19)18-23-16(22)15(17(26)24(18)2)28-13-6-4-5-12(27-3)14(13)20/h4-6H,7-11,21-22H2,1-3H3
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM395961
PNG
(US10308660, Example 37)
Show SMILES C[C@@H]1CC2(CCN(CC2)c2nc(N)c(Sc3ccnc(N)c3Cl)c(=O)n2C)[C@@H](N)[C@H]1F
Show InChI InChI=1S/C20H27ClFN7OS/c1-10-9-20(15(23)13(10)22)4-7-29(8-5-20)19-27-17(25)14(18(30)28(19)2)31-11-3-6-26-16(24)12(11)21/h3,6,10,13,15H,4-5,7-9,23,25H2,1-2H3,(H2,24,26)/t10-,13+,15+/m1/s1
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM396054
PNG
(US10308660, Example 156)
Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc(N)c(-c3ccc(F)cc3F)c(=O)n2C)[C@@H]1N
Show InChI InChI=1S/C20H25F2N5O2/c1-11-16(23)20(10-29-11)5-7-27(8-6-20)19-25-17(24)15(18(28)26(19)2)13-4-3-12(21)9-14(13)22/h3-4,9,11,16H,5-8,10,23-24H2,1-2H3/t11-,16+/m0/s1
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM396053
PNG
(US10308660, Example 155)
Show SMILES Cn1c(nc(N)c(-c2cccc(Cl)c2Cl)c1=O)N1CCC2(C[C@H](F)C[C@H]2N)CC1
Show InChI InChI=1S/C20H24Cl2FN5O/c1-27-18(29)15(12-3-2-4-13(21)16(12)22)17(25)26-19(27)28-7-5-20(6-8-28)10-11(23)9-14(20)24/h2-4,11,14H,5-10,24-25H2,1H3/t11-,14-/m1/s1
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM396013
PNG
(US10308660, Example 114)
Show SMILES C[C@H]1C[C@@H](N)C2(C1)CCN(CC2)c1ncc(Sc2cccnc2C(F)(F)F)c(=O)n1C
Show InChI InChI=1S/C21H26F3N5OS/c1-13-10-16(25)20(11-13)5-8-29(9-6-20)19-27-12-15(18(30)28(19)2)31-14-4-3-7-26-17(14)21(22,23)24/h3-4,7,12-13,16H,5-6,8-11,25H2,1-2H3/t13-,16+/m0/s1
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM395964
PNG
(US10308660, Example 40)
Show SMILES C[C@@H]1CC2(CCN(CC2)c2nc(N)c(Sc3cccnc3C(F)(F)F)c(=O)n2C)[C@H](N)[C@@H]1F
Show InChI InChI=1S/C21H26F4N6OS/c1-11-10-20(15(26)13(11)22)5-8-31(9-6-20)19-29-17(27)14(18(32)30(19)2)33-12-4-3-7-28-16(12)21(23,24)25/h3-4,7,11,13,15H,5-6,8-10,26-27H2,1-2H3/t11-,13-,15-/m1/s1
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM396055
PNG
(US10308660, Example 157)
Show SMILES COc1ccc(cc1F)-c1c(N)nc(N2CCC3(CO[C@@H](C)[C@H]3N)CC2)n(C)c1=O
Show InChI InChI=1S/C21H28FN5O3/c1-12-17(23)21(11-30-12)6-8-27(9-7-21)20-25-18(24)16(19(28)26(20)2)13-4-5-15(29-3)14(22)10-13/h4-5,10,12,17H,6-9,11,23-24H2,1-3H3/t12-,17+/m0/s1
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM395928
PNG
(US10308660, Example 4)
Show SMILES Cn1c(nc(N)c(Sc2ccnc(N)c2Cl)c1=O)N1CCC(C)(CN)CC1
Show InChI InChI=1S/C17H24ClN7OS/c1-17(9-19)4-7-25(8-5-17)16-23-14(21)12(15(26)24(16)2)27-10-3-6-22-13(20)11(10)18/h3,6H,4-5,7-9,19,21H2,1-2H3,(H2,20,22)
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM396056
PNG
(US10308660, Example 158)
Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc(N)c(-c3ccc(F)c(Cl)c3)c(=O)n2C)[C@@H]1N
Show InChI InChI=1S/C20H25ClFN5O2/c1-11-16(23)20(10-29-11)5-7-27(8-6-20)19-25-17(24)15(18(28)26(19)2)12-3-4-14(22)13(21)9-12/h3-4,9,11,16H,5-8,10,23-24H2,1-2H3/t11-,16+/m0/s1
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM395844
PNG
(6-amino-2-((3S,4S)-4-amino-3-methyl-2-oxa-8-azaspi...)
Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc(N)c(Sc3cccnc3C(F)(F)F)c(=O)n2C)[C@@H]1N
Show InChI InChI=1S/C20H25F3N6O2S/c1-11-14(24)19(10-31-11)5-8-29(9-6-19)18-27-16(25)13(17(30)28(18)2)32-12-4-3-7-26-15(12)20(21,22)23/h3-4,7,11,14H,5-6,8-10,24-25H2,1-2H3/t11-,14+/m0/s1
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM396057
PNG
(US10308660, Example 159)
Show SMILES COc1ccc(cc1)-c1c(N)nc(N2CCC3(CO[C@@H](C)[C@H]3N)CC2)n(C)c1=O
Show InChI InChI=1S/C21H29N5O3/c1-13-17(22)21(12-29-13)8-10-26(11-9-21)20-24-18(23)16(19(27)25(20)2)14-4-6-15(28-3)7-5-14/h4-7,13,17H,8-12,22-23H2,1-3H3/t13-,17+/m0/s1
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM395958
PNG
(US10308660, Example 34)
Show SMILES C[C@@H]1CC2(CCN(CC2)c2nc(N)c(Sc3ccnc(N)c3Cl)c(=O)n2C)[C@H](N)C1(F)F
Show InChI InChI=1S/C20H26ClF2N7OS/c1-10-9-19(17(26)20(10,22)23)4-7-30(8-5-19)18-28-15(25)13(16(31)29(18)2)32-11-3-6-27-14(24)12(11)21/h3,6,10,17H,4-5,7-9,25-26H2,1-2H3,(H2,24,27)/t10-,17+/m1/s1
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM395963
PNG
(US10308660, Example 39)
Show SMILES C[C@@H]1CC2(CCN(CC2)c2nc(N)c(Sc3cccnc3C(F)(F)F)c(=O)n2C)[C@@H](N)[C@H]1F
Show InChI InChI=1S/C21H26F4N6OS/c1-11-10-20(15(26)13(11)22)5-8-31(9-6-20)19-29-17(27)14(18(32)30(19)2)33-12-4-3-7-28-16(12)21(23,24)25/h3-4,7,11,13,15H,5-6,8-10,26-27H2,1-2H3/t11-,13+,15+/m1/s1
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM396020
PNG
(5-((2-amino-3-chloropyridin-4-yl)thio)-2-((3S,4S)-...)
Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc(C)c(Sc3ccnc(N)c3Cl)c(=O)n2C)[C@@H]1N
Show InChI InChI=1S/C20H27ClN6O2S/c1-11-15(30-13-4-7-24-17(23)14(13)21)18(28)26(3)19(25-11)27-8-5-20(6-9-27)10-29-12(2)16(20)22/h4,7,12,16H,5-6,8-10,22H2,1-3H3,(H2,23,24)/t12-,16+/m0/s1
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM395988
PNG
(US10308660, Example 65)
Show SMILES C[C@H]1CC2(CCN(CC2)c2nc(N)c(Sc3cccnc3C(F)(F)F)c(=O)n2C)[C@H](N)[C@@H]1C(F)(F)F
Show InChI InChI=1S/C22H26F6N6OS/c1-11-10-20(15(29)13(11)21(23,24)25)5-8-34(9-6-20)19-32-17(30)14(18(35)33(19)2)36-12-4-3-7-31-16(12)22(26,27)28/h3-4,7,11,13,15H,5-6,8-10,29-30H2,1-2H3/t11-,13+,15+/m0/s1
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM396058
PNG
(US10308660, Example 160)
Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc(N)c(-c3ccc(cc3)C3CC3)c(=O)n2C)[C@@H]1N
Show InChI InChI=1S/C23H31N5O2/c1-14-19(24)23(13-30-14)9-11-28(12-10-23)22-26-20(25)18(21(29)27(22)2)17-7-5-16(6-8-17)15-3-4-15/h5-8,14-15,19H,3-4,9-13,24-25H2,1-2H3/t14-,19+/m0/s1
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM396059
PNG
(US10308660, Example 161)
Show SMILES Cn1c(nc(N)c(-c2ccccc2)c1=O)N1CCC2(C[C@H](C[C@H]2N)C(F)(F)F)CC1
Show InChI InChI=1S/C21H26F3N5O/c1-28-18(30)16(13-5-3-2-4-6-13)17(26)27-19(28)29-9-7-20(8-10-29)12-14(11-15(20)25)21(22,23)24/h2-6,14-15H,7-12,25-26H2,1H3/t14-,15+/m0/s1
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM395992
PNG
(US10308660, Example 93)
Show SMILES CC1(CN)CCN(CC1)c1ncc(Sc2cccc(Cl)c2Cl)c(=O)[nH]1
Show InChI InChI=1S/C17H20Cl2N4OS/c1-17(10-20)5-7-23(8-6-17)16-21-9-13(15(24)22-16)25-12-4-2-3-11(18)14(12)19/h2-4,9H,5-8,10,20H2,1H3,(H,21,22,24)
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM396060
PNG
(US10308660, Example 162)
Show SMILES COc1ccc(cc1Cl)-c1c(N)nc(N2CCC3(CO[C@@H](C)[C@H]3N)CC2)n(C)c1=O
Show InChI InChI=1S/C21H28ClN5O3/c1-12-17(23)21(11-30-12)6-8-27(9-7-21)20-25-18(24)16(19(28)26(20)2)13-4-5-15(29-3)14(22)10-13/h4-5,10,12,17H,6-9,11,23-24H2,1-3H3/t12-,17+/m0/s1
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n/an/a 66n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM395997
PNG
(2-(4-(aminomethyl)-4-methylpiperidin-1-yl)-5-((2,3...)
Show SMILES Cn1c(ncc(Sc2cccc(Cl)c2Cl)c1=O)N1CCC(C)(CN)CC1
Show InChI InChI=1S/C18H22Cl2N4OS/c1-18(11-21)6-8-24(9-7-18)17-22-10-14(16(25)23(17)2)26-13-5-3-4-12(19)15(13)20/h3-5,10H,6-9,11,21H2,1-2H3
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n/an/a 68n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM396021
PNG
(US10308660, Example 122)
Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc(C)c(Sc3cccnc3C(F)(F)F)c(=O)n2C)[C@@H]1N
Show InChI InChI=1S/C21H26F3N5O2S/c1-12-15(32-14-5-4-8-26-17(14)21(22,23)24)18(30)28(3)19(27-12)29-9-6-20(7-10-29)11-31-13(2)16(20)25/h4-5,8,13,16H,6-7,9-11,25H2,1-3H3/t13-,16+/m0/s1
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n/an/a 68n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM395960
PNG
(US10308660, Example 36)
Show SMILES Cn1c(nc(N)c(Sc2ccnc(N)c2Cl)c1=O)N1CCC2(C[C@H](F)C[C@H]2N)CC1
Show InChI InChI=1S/C19H25ClFN7OS/c1-27-17(29)14(30-11-2-5-25-15(23)13(11)20)16(24)26-18(27)28-6-3-19(4-7-28)9-10(21)8-12(19)22/h2,5,10,12H,3-4,6-9,22,24H2,1H3,(H2,23,25)/t10-,12-/m1/s1
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM396088
PNG
(US10308660, Example 190)
Show SMILES Cn1c(nc(N)c(-c2cccc(Cl)c2Cl)c1=O)N1CCC2(COC[C@H]2N)CC1
Show InChI InChI=1S/C19H23Cl2N5O2/c1-25-17(27)14(11-3-2-4-12(20)15(11)21)16(23)24-18(25)26-7-5-19(6-8-26)10-28-9-13(19)22/h2-4,13H,5-10,22-23H2,1H3/t13-/m1/s1
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n/an/a 69n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM396061
PNG
(US10308660, Example 163)
Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc(N)c(-c3ccc(cc3)C3CCCCC3)c(=O)n2C)[C@@H]1N
Show InChI InChI=1S/C26H37N5O2/c1-17-22(27)26(16-33-17)12-14-31(15-13-26)25-29-23(28)21(24(32)30(25)2)20-10-8-19(9-11-20)18-6-4-3-5-7-18/h8-11,17-18,22H,3-7,12-16,27-28H2,1-2H3/t17-,22+/m0/s1
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM395972
PNG
(US10308660, Example 49)
Show SMILES Cn1c(nc(N)c(Sc2ccccc2C(F)(F)F)c1=O)N1CCC(C)(CN)CC1
Show InChI InChI=1S/C19H24F3N5OS/c1-18(11-23)7-9-27(10-8-18)17-25-15(24)14(16(28)26(17)2)29-13-6-4-3-5-12(13)19(20,21)22/h3-6H,7-11,23-24H2,1-2H3
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM396062
PNG
(US10308660, Example 164)
Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc(N)c(-c3cc(F)cc(F)c3)c(=O)n2C)[C@@H]1N
Show InChI InChI=1S/C20H25F2N5O2/c1-11-16(23)20(10-29-11)3-5-27(6-4-20)19-25-17(24)15(18(28)26(19)2)12-7-13(21)9-14(22)8-12/h7-9,11,16H,3-6,10,23-24H2,1-2H3/t11-,16+/m0/s1
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM396063
PNG
(US10308660, Example 165)
Show SMILES C[C@@H]1CC2(CCN(CC2)c2nc(N)c(-c3ccccc3)c(=O)n2C)[C@H](N)C1(F)F
Show InChI InChI=1S/C21H27F2N5O/c1-13-12-20(18(25)21(13,22)23)8-10-28(11-9-20)19-26-16(24)15(17(29)27(19)2)14-6-4-3-5-7-14/h3-7,13,18H,8-12,24-25H2,1-2H3/t13-,18+/m1/s1
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM395950
PNG
(US10308660, Example 26)
Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc(N)c(Sc3ccccc3)c(=O)n2C)[C@@H]1N
Show InChI InChI=1S/C20H27N5O2S/c1-13-16(21)20(12-27-13)8-10-25(11-9-20)19-23-17(22)15(18(26)24(19)2)28-14-6-4-3-5-7-14/h3-7,13,16H,8-12,21-22H2,1-2H3/t13-,16+/m0/s1
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM396018
PNG
(US10308660, Example 119)
Show SMILES COc1nccc(Sc2ccc([nH]c2=O)N2CCC3(CO[C@@H](C)[C@H]3N)CC2)c1Cl
Show InChI InChI=1/C20H25ClN4O3S/c1-12-17(22)20(11-28-12)6-9-25(10-7-20)15-4-3-14(18(26)24-15)29-13-5-8-23-19(27-2)16(13)21/h3-5,8,12,17H,6-7,9-11,22H2,1-2H3,(H,24,26)/t12-,17+/s2
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM396014
PNG
(US10308660, Example 115)
Show SMILES Cn1c(ncc(Sc2ccnc(Cl)c2Cl)c1=O)N1CCC(C)(CN)CC1
Show InChI InChI=1S/C17H21Cl2N5OS/c1-17(10-20)4-7-24(8-5-17)16-22-9-12(15(25)23(16)2)26-11-3-6-21-14(19)13(11)18/h3,6,9H,4-5,7-8,10,20H2,1-2H3
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM396064
PNG
(US10308660, Example 166)
Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc(N)c(-c3ccc(cc3)N(C)C)c(=O)n2C)[C@@H]1N
Show InChI InChI=1S/C22H32N6O2/c1-14-18(23)22(13-30-14)9-11-28(12-10-22)21-25-19(24)17(20(29)27(21)4)15-5-7-16(8-6-15)26(2)3/h5-8,14,18H,9-13,23-24H2,1-4H3/t14-,18+/m0/s1
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n/an/a 88n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM395969
PNG
(US10308660, Example 46)
Show SMILES Cn1c(nc(N)c(Sc2ccccc2OC(F)(F)F)c1=O)N1CCC(C)(CN)CC1
Show InChI InChI=1S/C19H24F3N5O2S/c1-18(11-23)7-9-27(10-8-18)17-25-15(24)14(16(28)26(17)2)30-13-6-4-3-5-12(13)29-19(20,21)22/h3-6H,7-11,23-24H2,1-2H3
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM396065
PNG
(US10308660, Example 167)
Show SMILES C[C@@H]1CC2(CCN(CC2)c2nc(N)c(-c3cccc(Cl)c3Cl)c(=O)n2C)[C@H](N)C1(F)F
Show InChI InChI=1S/C21H25Cl2F2N5O/c1-11-10-20(18(27)21(11,24)25)6-8-30(9-7-20)19-28-16(26)14(17(31)29(19)2)12-4-3-5-13(22)15(12)23/h3-5,11,18H,6-10,26-27H2,1-2H3/t11-,18+/m1/s1
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM395991
PNG
(US10308660, Example 92)
Show SMILES N[C@@H]1CCCC11CCN(CC1)c1ncc(Sc2cccnc2C(F)(F)F)c(=O)[nH]1
Show InChI InChI=1/C19H22F3N5OS/c20-19(21,22)15-12(3-2-8-24-15)29-13-11-25-17(26-16(13)28)27-9-6-18(7-10-27)5-1-4-14(18)23/h2-3,8,11,14H,1,4-7,9-10,23H2,(H,25,26,28)/t14-/s2
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM395984
PNG
(US10308660, Example 61)
Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc(N)c(Sc3ccncc3C(F)(F)F)c(=O)n2C)[C@@H]1N
Show InChI InChI=1S/C20H25F3N6O2S/c1-11-15(24)19(10-31-11)4-7-29(8-5-19)18-27-16(25)14(17(30)28(18)2)32-13-3-6-26-9-12(13)20(21,22)23/h3,6,9,11,15H,4-5,7-8,10,24-25H2,1-2H3/t11-,15+/m0/s1
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM395938
PNG
(US10308660, Example 14)
Show SMILES Cn1c(nc(N)c(Sc2cccnc2C(F)(F)F)c1=O)N1CCC2(CCC[C@H]2N)CC1
Show InChI InChI=1S/C20H25F3N6OS/c1-28-17(30)14(31-12-4-3-9-26-15(12)20(21,22)23)16(25)27-18(28)29-10-7-19(8-11-29)6-2-5-13(19)24/h3-4,9,13H,2,5-8,10-11,24-25H2,1H3/t13-/m1/s1
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM396066
PNG
(US10308660, Example 168)
Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc(N)c(-c3ccc(cc3)-c3ccccc3)c(=O)n2C)[C@@H]1N
Show InChI InChI=1S/C26H31N5O2/c1-17-22(27)26(16-33-17)12-14-31(15-13-26)25-29-23(28)21(24(32)30(25)2)20-10-8-19(9-11-20)18-6-4-3-5-7-18/h3-11,17,22H,12-16,27-28H2,1-2H3/t17-,22+/m0/s1
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM396017
PNG
(6-(4-(aminomethyl)-4-methylpiperidin-1-yl)-3-((2,3...)
Show SMILES CC1(CN)CCN(CC1)c1ccc(Sc2cccc(Cl)c2Cl)c(=O)[nH]1
Show InChI InChI=1S/C18H21Cl2N3OS/c1-18(11-21)7-9-23(10-8-18)15-6-5-14(17(24)22-15)25-13-4-2-3-12(19)16(13)20/h2-6H,7-11,21H2,1H3,(H,22,24)
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM395946
PNG
(US10308660, Example 22)
Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc(N)c(Sc3cccnc3OC(F)(F)F)c(=O)n2C)[C@@H]1N
Show InChI InChI=1S/C20H25F3N6O3S/c1-11-14(24)19(10-31-11)5-8-29(9-6-19)18-27-15(25)13(17(30)28(18)2)33-12-4-3-7-26-16(12)32-20(21,22)23/h3-4,7,11,14H,5-6,8-10,24-25H2,1-2H3/t11-,14+/m0/s1
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n/an/a 108n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM395931
PNG
(US10308660, Example 7)
Show SMILES Cn1c(nc(N)c(Sc2cccnc2C(F)(F)F)c1=O)N1CCC(C)(CN)CC1
Show InChI InChI=1S/C18H23F3N6OS/c1-17(10-22)5-8-27(9-6-17)16-25-14(23)12(15(28)26(16)2)29-11-4-3-7-24-13(11)18(19,20)21/h3-4,7H,5-6,8-10,22-23H2,1-2H3
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n/an/a 109n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM396003
PNG
(US10308660, Example 104)
Show SMILES Cn1c(ncc(Sc2cccc(Cl)c2Cl)c1=O)N1CCC2(CC[C@@H]2N)CC1
Show InChI InChI=1S/C19H22Cl2N4OS/c1-24-17(26)14(27-13-4-2-3-12(20)16(13)21)11-23-18(24)25-9-7-19(8-10-25)6-5-15(19)22/h2-4,11,15H,5-10,22H2,1H3/t15-/m0/s1
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n/an/a 109n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM396067
PNG
(US10308660, Example 169)
Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc(N)c(-c3ccc(OC(F)(F)F)cc3)c(=O)n2C)[C@@H]1N
Show InChI InChI=1S/C21H26F3N5O3/c1-12-16(25)20(11-31-12)7-9-29(10-8-20)19-27-17(26)15(18(30)28(19)2)13-3-5-14(6-4-13)32-21(22,23)24/h3-6,12,16H,7-11,25-26H2,1-2H3/t12-,16+/m0/s1
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n/an/a 119n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM395968
PNG
(US10308660, Example 45)
Show SMILES Cn1c(nc(N)c(Sc2ccccc2Br)c1=O)N1CCC(C)(CN)CC1
Show InChI InChI=1S/C18H24BrN5OS/c1-18(11-20)7-9-24(10-8-18)17-22-15(21)14(16(25)23(17)2)26-13-6-4-3-5-12(13)19/h3-6H,7-11,20-21H2,1-2H3
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n/an/a 137n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM396006
PNG
(US10308660, Example 107)
Show SMILES C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3ccnc(NC4CC4)c3Cl)c(=O)n2C)[C@@H]1N
Show InChI InChI=1S/C22H29ClN6O2S/c1-13-18(24)22(12-31-13)6-9-29(10-7-22)21-26-11-16(20(30)28(21)2)32-15-5-8-25-19(17(15)23)27-14-3-4-14/h5,8,11,13-14,18H,3-4,6-7,9-10,12,24H2,1-2H3,(H,25,27)/t13-,18+/m0/s1
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM395973
PNG
(US10308660, Example 50)
Show SMILES Cn1c(nc(N)c(Sc2cccc3OC(F)(F)Oc23)c1=O)N1CCC(C)(CN)CC1
Show InChI InChI=1S/C19H23F2N5O3S/c1-18(10-22)6-8-26(9-7-18)17-24-15(23)14(16(27)25(17)2)30-12-5-3-4-11-13(12)29-19(20,21)28-11/h3-5H,6-10,22-23H2,1-2H3
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n/an/a 152n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM396068
PNG
(US10308660, Example 170)
Show SMILES COCCOc1ccc(cc1)-c1c(N)nc(N2CCC3(CO[C@@H](C)[C@H]3N)CC2)n(C)c1=O
Show InChI InChI=1S/C23H33N5O4/c1-15-19(24)23(14-32-15)8-10-28(11-9-23)22-26-20(25)18(21(29)27(22)2)16-4-6-17(7-5-16)31-13-12-30-3/h4-7,15,19H,8-14,24-25H2,1-3H3/t15-,19+/m0/s1
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n/an/a 169n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM395979
PNG
(US10308660, Example 56)
Show SMILES Cn1c(nc(N)c(Sc2ccc(Cl)cc2Cl)c1=O)N1CCC(C)(CN)CC1
Show InChI InChI=1S/C18H23Cl2N5OS/c1-18(10-21)5-7-25(8-6-18)17-23-15(22)14(16(26)24(17)2)27-13-4-3-11(19)9-12(13)20/h3-4,9H,5-8,10,21-22H2,1-2H3
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n/an/a 170n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM396069
PNG
(US10308660, Example 171)
Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc(N)c(-c3cncc(Cl)c3)c(=O)n2C)[C@@H]1N
Show InChI InChI=1S/C19H25ClN6O2/c1-11-15(21)19(10-28-11)3-5-26(6-4-19)18-24-16(22)14(17(27)25(18)2)12-7-13(20)9-23-8-12/h7-9,11,15H,3-6,10,21-22H2,1-2H3/t11-,15+/m0/s1
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM396070
PNG
(US10308660, Example 172)
Show SMILES C[C@H]1C[C@@H](N)C2(C1)CCN(CC2)c1nc(N)c(-c2ccc(Cl)cc2)c(=O)n1C
Show InChI InChI=1S/C21H28ClN5O/c1-13-11-16(23)21(12-13)7-9-27(10-8-21)20-25-18(24)17(19(28)26(20)2)14-3-5-15(22)6-4-14/h3-6,13,16H,7-12,23-24H2,1-2H3/t13-,16+/m0/s1
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n/an/a 174n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM396071
PNG
(US10308660, Example 173)
Show SMILES COc1ccc(cc1C)-c1c(N)nc(N2CCC3(CO[C@@H](C)[C@H]3N)CC2)n(C)c1=O
Show InChI InChI=1S/C22H31N5O3/c1-13-11-15(5-6-16(13)29-4)17-19(24)25-21(26(3)20(17)28)27-9-7-22(8-10-27)12-30-14(2)18(22)23/h5-6,11,14,18H,7-10,12,23-24H2,1-4H3/t14-,18+/m0/s1
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM396016
PNG
(US10308660, Example 117)
Show SMILES C[C@@H]1OCC2(CCN(CC2)c2ccc(Sc3cccnc3C(F)(F)F)c(=O)n2C)[C@@H]1N
Show InChI InChI=1S/C21H25F3N4O2S/c1-13-17(25)20(12-30-13)7-10-28(11-8-20)16-6-5-15(19(29)27(16)2)31-14-4-3-9-26-18(14)21(22,23)24/h3-6,9,13,17H,7-8,10-12,25H2,1-2H3/t13-,17+/m0/s1
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM395993
PNG
(US10308660, Example 94)
Show SMILES CC1(CN)CCN(CC1)c1ncc(Sc2ccccc2Cl)c(=O)[nH]1
Show InChI InChI=1S/C17H21ClN4OS/c1-17(11-19)6-8-22(9-7-17)16-20-10-14(15(23)21-16)24-13-5-3-2-4-12(13)18/h2-5,10H,6-9,11,19H2,1H3,(H,20,21,23)
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n/an/a 178n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM395990
PNG
(Tert-butyl ((1-(4-((4-methoxybenzyl)oxy)pyrimidin-...)
Show SMILES CC1(CN)CCN(CC1)c1ncc(Sc2cccnc2C(F)(F)F)c(=O)[nH]1
Show InChI InChI=1S/C17H20F3N5OS/c1-16(10-21)4-7-25(8-5-16)15-23-9-12(14(26)24-15)27-11-3-2-6-22-13(11)17(18,19)20/h2-3,6,9H,4-5,7-8,10,21H2,1H3,(H,23,24,26)
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n/an/a 181n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM396072
PNG
(US10308660, Example 174)
Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc(N)c(-c3ccc(cc3)C(C)(C)C)c(=O)n2C)[C@@H]1N
Show InChI InChI=1S/C24H35N5O2/c1-15-19(25)24(14-31-15)10-12-29(13-11-24)22-27-20(26)18(21(30)28(22)5)16-6-8-17(9-7-16)23(2,3)4/h6-9,15,19H,10-14,25-26H2,1-5H3/t15-,19+/m0/s1
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM395977
PNG
(US10308660, Example 54)
Show SMILES Cc1ccccc1Sc1c(N)nc(N2CCC(C)(CN)CC2)n(C)c1=O
Show InChI InChI=1S/C19H27N5OS/c1-13-6-4-5-7-14(13)26-15-16(21)22-18(23(3)17(15)25)24-10-8-19(2,12-20)9-11-24/h4-7H,8-12,20-21H2,1-3H3
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM395970
PNG
(US10308660, Example 47)
Show SMILES COc1ccccc1Sc1c(N)nc(N2CCC(C)(CN)CC2)n(C)c1=O
Show InChI InChI=1S/C19H27N5O2S/c1-19(12-20)8-10-24(11-9-19)18-22-16(21)15(17(25)23(18)2)27-14-7-5-4-6-13(14)26-3/h4-7H,8-12,20-21H2,1-3H3
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM395932
PNG
(US10308660, Example 8)
Show SMILES Cn1c(nc(N)c(Sc2cccc(N)c2Cl)c1=O)N1CCC(C)(CN)CC1
Show InChI InChI=1S/C18H25ClN6OS/c1-18(10-20)6-8-25(9-7-18)17-23-15(22)14(16(26)24(17)2)27-12-5-3-4-11(21)13(12)19/h3-5H,6-10,20-22H2,1-2H3
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM396073
PNG
(US10308660, Example 175)
Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc(N)c(-c3ccc(cc3)C#N)c(=O)n2C)[C@@H]1N
Show InChI InChI=1S/C21H26N6O2/c1-13-17(23)21(12-29-13)7-9-27(10-8-21)20-25-18(24)16(19(28)26(20)2)15-5-3-14(11-22)4-6-15/h3-6,13,17H,7-10,12,23-24H2,1-2H3/t13-,17+/m0/s1
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM396074
PNG
(US10308660, Example 176)
Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc(N)c(-c3ccccc3C)c(=O)n2C)[C@@H]1N
Show InChI InChI=1S/C21H29N5O2/c1-13-6-4-5-7-15(13)16-18(23)24-20(25(3)19(16)27)26-10-8-21(9-11-26)12-28-14(2)17(21)22/h4-7,14,17H,8-12,22-23H2,1-3H3/t14-,17+/m0/s1
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM395980
PNG
(US10308660, Example 57)
Show SMILES Cn1c(nc(N)c(Sc2cccc3cccnc23)c1=O)N1CCC(C)(CN)CC1
Show InChI InChI=1S/C21H26N6OS/c1-21(13-22)8-11-27(12-9-21)20-25-18(23)17(19(28)26(20)2)29-15-7-3-5-14-6-4-10-24-16(14)15/h3-7,10H,8-9,11-13,22-23H2,1-2H3
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM395930
PNG
(US10308660, Example 6)
Show SMILES Cn1c(nc(N)c(Sc2ccccc2Cl)c1=O)N1CCC(C)(CN)CC1
Show InChI InChI=1S/C18H24ClN5OS/c1-18(11-20)7-9-24(10-8-18)17-22-15(21)14(16(25)23(17)2)26-13-6-4-3-5-12(13)19/h3-6H,7-11,20-21H2,1-2H3
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM395948
PNG
(US10308660, Example 24)
Show SMILES Cn1c(nc(N)c(Sc2cccc3ncccc23)c1=O)N1CCC(C)(CN)CC1
Show InChI InChI=1S/C21H26N6OS/c1-21(13-22)8-11-27(12-9-21)20-25-18(23)17(19(28)26(20)2)29-16-7-3-6-15-14(16)5-4-10-24-15/h3-7,10H,8-9,11-13,22-23H2,1-2H3
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM395971
PNG
(US10308660, Example 48)
Show SMILES Cn1c(nc(N)c(Sc2ccccc2[N+]([O-])=O)c1=O)N1CCC(C)(CN)CC1
Show InChI InChI=1S/C18H24N6O3S/c1-18(11-19)7-9-23(10-8-18)17-21-15(20)14(16(25)22(17)2)28-13-6-4-3-5-12(13)24(26)27/h3-6H,7-11,19-20H2,1-2H3
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM396075
PNG
(US10308660, Example 177)
Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc(N)c(-c3ccc(Cl)c(Cl)c3)c(=O)n2C)[C@@H]1N
Show InChI InChI=1S/C20H25Cl2N5O2/c1-11-16(23)20(10-29-11)5-7-27(8-6-20)19-25-17(24)15(18(28)26(19)2)12-3-4-13(21)14(22)9-12/h3-4,9,11,16H,5-8,10,23-24H2,1-2H3/t11-,16+/m0/s1
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM396092
PNG
(US10308660, Example 197)
Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc(C)c(-c3ccccc3)c(=O)n2C)[C@@H]1N
Show InChI InChI=1S/C21H28N4O2/c1-14-17(16-7-5-4-6-8-16)19(26)24(3)20(23-14)25-11-9-21(10-12-25)13-27-15(2)18(21)22/h4-8,15,18H,9-13,22H2,1-3H3/t15-,18+/m0/s1
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM395998
PNG
(US10308660, Example 99)
Show SMILES Cn1c(ncc(Sc2ccccc2Cl)c1=O)N1CCC(C)(CN)CC1
Show InChI InChI=1S/C18H23ClN4OS/c1-18(12-20)7-9-23(10-8-18)17-21-11-15(16(24)22(17)2)25-14-6-4-3-5-13(14)19/h3-6,11H,7-10,12,20H2,1-2H3
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM395974
PNG
(US10308660, Example 51)
Show SMILES Cn1c(nc(N)c(Sc2ccccc2C#N)c1=O)N1CCC(C)(CN)CC1
Show InChI InChI=1S/C19H24N6OS/c1-19(12-21)7-9-25(10-8-19)18-23-16(22)15(17(26)24(18)2)27-14-6-4-3-5-13(14)11-20/h3-6H,7-10,12,21-22H2,1-2H3
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM396076
PNG
(US10308660, Example 178)
Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc(N)c(-c3ccc(cc3)C3CCOCC3)c(=O)n2C)[C@@H]1N
Show InChI InChI=1S/C25H35N5O3/c1-16-21(26)25(15-33-16)9-11-30(12-10-25)24-28-22(27)20(23(31)29(24)2)19-5-3-17(4-6-19)18-7-13-32-14-8-18/h3-6,16,18,21H,7-15,26-27H2,1-2H3/t16-,21+/m0/s1
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM396077
PNG
(US10308660, Example 179)
Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc(N)c(-c3cc(Cl)cc(Cl)c3)c(=O)n2C)[C@@H]1N
Show InChI InChI=1S/C20H25Cl2N5O2/c1-11-16(23)20(10-29-11)3-5-27(6-4-20)19-25-17(24)15(18(28)26(19)2)12-7-13(21)9-14(22)8-12/h7-9,11,16H,3-6,10,23-24H2,1-2H3/t11-,16+/m0/s1
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM395981
PNG
(US10308660, Example 58)
Show SMILES Cn1c(nc(N)c(Sc2ccccc2F)c1=O)N1CCC(C)(CN)CC1
Show InChI InChI=1S/C18H24FN5OS/c1-18(11-20)7-9-24(10-8-18)17-22-15(21)14(16(25)23(17)2)26-13-6-4-3-5-12(13)19/h3-6H,7-11,20-21H2,1-2H3
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM395935
PNG
(US10308660, Example 11)
Show SMILES Cn1c(nc(N)c(Sc2cccc(OC(F)(F)F)c2)c1=O)N1CCC(C)(CN)CC1
Show InChI InChI=1S/C19H24F3N5O2S/c1-18(11-23)6-8-27(9-7-18)17-25-15(24)14(16(28)26(17)2)30-13-5-3-4-12(10-13)29-19(20,21)22/h3-5,10H,6-9,11,23-24H2,1-2H3
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM396007
PNG
(US10308660, Example 108)
Show SMILES Cn1c(ncc(Sc2ccccc2C(F)(F)F)c1=O)N1CCC(C)(CN)CC1
Show InChI InChI=1S/C19H23F3N4OS/c1-18(12-23)7-9-26(10-8-18)17-24-11-15(16(27)25(17)2)28-14-6-4-3-5-13(14)19(20,21)22/h3-6,11H,7-10,12,23H2,1-2H3
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM396078
PNG
(US10308660, Example 180)
Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc(N)c(-c3cc(Cl)cc(Cl)c3Cl)c(=O)n2C)[C@@H]1N
Show InChI InChI=1S/C20H24Cl3N5O2/c1-10-16(24)20(9-30-10)3-5-28(6-4-20)19-26-17(25)14(18(29)27(19)2)12-7-11(21)8-13(22)15(12)23/h7-8,10,16H,3-6,9,24-25H2,1-2H3/t10-,16+/m0/s1
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM395976
PNG
(US10308660, Example 53)
Show SMILES Cn1c(nc(N)c(Sc2ccc(N)cc2Cl)c1=O)N1CCC(C)(CN)CC1
Show InChI InChI=1S/C18H25ClN6OS/c1-18(10-20)5-7-25(8-6-18)17-23-15(22)14(16(26)24(17)2)27-13-4-3-11(21)9-12(13)19/h3-4,9H,5-8,10,20-22H2,1-2H3
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM395999
PNG
(US10308660, Example 100)
Show SMILES Cn1c(ncc(Sc2cccnc2C(F)(F)F)c1=O)N1CCC(C)(CN)CC1
Show InChI InChI=1S/C18H22F3N5OS/c1-17(11-22)5-8-26(9-6-17)16-24-10-13(15(27)25(16)2)28-12-4-3-7-23-14(12)18(19,20)21/h3-4,7,10H,5-6,8-9,11,22H2,1-2H3
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM395975
PNG
(US10308660, Example 52)
Show SMILES Cn1c(nc(N)c(Sc2ccccc2O)c1=O)N1CCC(C)(CN)CC1
Show InChI InChI=1S/C18H25N5O2S/c1-18(11-19)7-9-23(10-8-18)17-21-15(20)14(16(25)22(17)2)26-13-6-4-3-5-12(13)24/h3-6,24H,7-11,19-20H2,1-2H3
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM396095
PNG
(US10308660, Example 202)
Show SMILES N[C@@H]1CCCC11CCN(CC1)c1ncc(-c2cccc(Cl)c2Cl)c(=O)[nH]1
Show InChI InChI=1/C19H22Cl2N4O/c20-14-4-1-3-12(16(14)21)13-11-23-18(24-17(13)26)25-9-7-19(8-10-25)6-2-5-15(19)22/h1,3-4,11,15H,2,5-10,22H2,(H,23,24,26)/t15-/s2
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM396079
PNG
(US10308660, Example 181)
Show SMILES COc1ccccc1-c1c(N)nc(N2CCC3(CO[C@@H](C)[C@H]3N)CC2)n(C)c1=O
Show InChI InChI=1S/C21H29N5O3/c1-13-17(22)21(12-29-13)8-10-26(11-9-21)20-24-18(23)16(19(27)25(20)2)14-6-4-5-7-15(14)28-3/h4-7,13,17H,8-12,22-23H2,1-3H3/t13-,17+/m0/s1
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM395987
PNG
(US10308660, Example 64)
Show SMILES C[C@H]1CC2(CCN(CC2)c2nc(N)c(Sc3cccnc3C(F)(F)F)c(=O)n2C)[C@@H](N)[C@@H]1C(F)(F)F
Show InChI InChI=1S/C22H26F6N6OS/c1-11-10-20(15(29)13(11)21(23,24)25)5-8-34(9-6-20)19-32-17(30)14(18(35)33(19)2)36-12-4-3-7-31-16(12)22(26,27)28/h3-4,7,11,13,15H,5-6,8-10,29-30H2,1-2H3/t11-,13+,15-/m0/s1
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM396080
PNG
(US10308660, Example 182)
Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc(N)c(-c3ccccn3)c(=O)n2C)[C@@H]1N
Show InChI InChI=1S/C19H26N6O2/c1-12-15(20)19(11-27-12)6-9-25(10-7-19)18-23-16(21)14(17(26)24(18)2)13-5-3-4-8-22-13/h3-5,8,12,15H,6-7,9-11,20-21H2,1-2H3/t12-,15+/m0/s1
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Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM396081
PNG
(US10308660, Example 183)
Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc(N)c(-c3cccnc3C)c(=O)n2C)[C@@H]1N
Show InChI InChI=1S/C20H28N6O2/c1-12-14(5-4-8-23-12)15-17(22)24-19(25(3)18(15)27)26-9-6-20(7-10-26)11-28-13(2)16(20)21/h4-5,8,13,16H,6-7,9-11,21-22H2,1-3H3/t13-,16+/m0/s1
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US Patent
n/an/a 1.59E+3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM396015
PNG
(6-(4-(aminomethyl)-4-methylpiperidin-1-yl)-3-((2,3...)
Show SMILES Cn1c(ccc(Sc2cccc(Cl)c2Cl)c1=O)N1CCC(C)(CN)CC1
Show InChI InChI=1S/C19H23Cl2N3OS/c1-19(12-22)8-10-24(11-9-19)16-7-6-15(18(25)23(16)2)26-14-5-3-4-13(20)17(14)21/h3-7H,8-12,22H2,1-2H3
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n/an/a 1.62E+3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM396082
PNG
(US10308660, Example 184)
Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc(N)c(-c3cccc(c3)C(F)(F)F)c(=O)n2C)[C@@H]1N
Show InChI InChI=1S/C21H26F3N5O2/c1-12-16(25)20(11-31-12)6-8-29(9-7-20)19-27-17(26)15(18(30)28(19)2)13-4-3-5-14(10-13)21(22,23)24/h3-5,10,12,16H,6-9,11,25-26H2,1-2H3/t12-,16+/m0/s1
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n/an/a 1.69E+3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM396083
PNG
(US10308660, Example 185)
Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc(N)c(-c3ccc(cc3)N3CCOCC3)c(=O)n2C)[C@@H]1N
Show InChI InChI=1S/C24H34N6O3/c1-16-20(25)24(15-33-16)7-9-30(10-8-24)23-27-21(26)19(22(31)28(23)2)17-3-5-18(6-4-17)29-11-13-32-14-12-29/h3-6,16,20H,7-15,25-26H2,1-2H3/t16-,20+/m0/s1
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n/an/a 2.12E+3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM395929
PNG
(US10308660, Example 5)
Show SMILES Cn1c(nc(N)c(Sc2cccc(Cl)c2)c1=O)N1CCC(C)(CN)CC1
Show InChI InChI=1S/C18H24ClN5OS/c1-18(11-20)6-8-24(9-7-18)17-22-15(21)14(16(25)23(17)2)26-13-5-3-4-12(19)10-13/h3-5,10H,6-9,11,20-21H2,1-2H3
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n/an/a 2.21E+3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM396084
PNG
(US10308660, Example 186)
Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc(N)c(-c3cc(Cl)ccc3Cl)c(=O)n2C)[C@@H]1N
Show InChI InChI=1S/C20H25Cl2N5O2/c1-11-16(23)20(10-29-11)5-7-27(8-6-20)19-25-17(24)15(18(28)26(19)2)13-9-12(21)3-4-14(13)22/h3-4,9,11,16H,5-8,10,23-24H2,1-2H3/t11-,16+/m0/s1
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n/an/a 2.23E+3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM396085
PNG
(US10308660, Example 187)
Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc(N)c(-c3ccnc(Cl)c3)c(=O)n2C)[C@@H]1N
Show InChI InChI=1S/C19H25ClN6O2/c1-11-15(21)19(10-28-11)4-7-26(8-5-19)18-24-16(22)14(17(27)25(18)2)12-3-6-23-13(20)9-12/h3,6,9,11,15H,4-5,7-8,10,21-22H2,1-2H3/t11-,15+/m0/s1
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n/an/a 2.95E+3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM396094
PNG
(US10308660, Example 201)
Show SMILES C[C@@H]1OCC2(CCN(CC2)c2ncc(-c3cccc(Cl)c3Cl)c(=O)[nH]2)[C@@H]1N
Show InChI InChI=1/C19H22Cl2N4O2/c1-11-16(22)19(10-27-11)5-7-25(8-6-19)18-23-9-13(17(26)24-18)12-3-2-4-14(20)15(12)21/h2-4,9,11,16H,5-8,10,22H2,1H3,(H,23,24,26)/t11-,16+/s2
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n/an/a 3.34E+3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM395934
PNG
(US10308660, Example 10)
Show SMILES Cn1c(nc(N)c(Sc2cccc(c2)C#N)c1=O)N1CCC(C)(CN)CC1
Show InChI InChI=1S/C19H24N6OS/c1-19(12-21)6-8-25(9-7-19)18-23-16(22)15(17(26)24(18)2)27-14-5-3-4-13(10-14)11-20/h3-5,10H,6-9,12,21-22H2,1-2H3
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n/an/a 5.63E+3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM396093
PNG
(US10308660, Example 200)
Show SMILES CC1(CN)CCN(CC1)c1ncc(-c2cccc(Cl)c2Cl)c(=O)[nH]1
Show InChI InChI=1S/C17H20Cl2N4O/c1-17(10-20)5-7-23(8-6-17)16-21-9-12(15(24)22-16)11-3-2-4-13(18)14(11)19/h2-4,9H,5-8,10,20H2,1H3,(H,21,22,24)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


US Patent US10308660 (2019)

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