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Patent code US10336774

Compile Data Set for Download or QSAR
Found 68 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))
BDBM408072
PNG
(US10336774, Example 57)
Show SMILES N[C@@H]1C[C@@H](O)CC11CCN(CC1)c1cnc(Sc2ccnc(Cl)c2Cl)c(N)n1
Show InChI InChI=1S/C18H22Cl2N6OS/c19-14-11(1-4-23-15(14)20)28-17-16(22)25-13(9-24-17)26-5-2-18(3-6-26)8-10(27)7-12(18)21/h1,4,9-10,12,27H,2-3,5-8,21H2,(H2,22,25)/t10-,12-/m1/s1
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n/an/a 3n/an/an/an/an/an/a



Novartis AG

US Patent


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


US Patent US10336774 (2019)


BindingDB Entry DOI: 10.7270/Q2BR8VJV
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM408096
PNG
(US10336774, Example 90)
Show SMILES N[C@@H]1C[C@@H](O)CC11CCN(CC1)c1cnc(Sc2cc(N)nc(Cl)c2Cl)c(N)n1
Show InChI InChI=1S/C18H23Cl2N7OS/c19-14-10(6-12(22)25-15(14)20)29-17-16(23)26-13(8-24-17)27-3-1-18(2-4-27)7-9(28)5-11(18)21/h6,8-9,11,28H,1-5,7,21H2,(H2,22,25)(H2,23,26)/t9-,11-/m1/s1
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n/an/a 4n/an/an/an/an/an/a



Novartis AG

US Patent


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


US Patent US10336774 (2019)


BindingDB Entry DOI: 10.7270/Q2BR8VJV
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM408094
PNG
(US10336774, Example 88)
Show SMILES C[C@@H]1OCC2(CCN(CC2)c2cnc(Sc3cc(N)nc(Cl)c3Cl)c(N)n2)[C@@H]1N
Show InChI InChI=1S/C18H23Cl2N7OS/c1-9-14(22)18(8-28-9)2-4-27(5-3-18)12-7-24-17(16(23)26-12)29-10-6-11(21)25-15(20)13(10)19/h6-7,9,14H,2-5,8,22H2,1H3,(H2,21,25)(H2,23,26)/t9-,14+/m0/s1
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n/an/a 4n/an/an/an/an/an/a



Novartis AG

US Patent


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


US Patent US10336774 (2019)


BindingDB Entry DOI: 10.7270/Q2BR8VJV
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM408073
PNG
(US10336774, Example 58)
Show SMILES N[C@@H]1C[C@H](O)CC11CCN(CC1)c1cnc(Sc2ccnc(Cl)c2Cl)c(N)n1
Show InChI InChI=1S/C18H22Cl2N6OS/c19-14-11(1-4-23-15(14)20)28-17-16(22)25-13(9-24-17)26-5-2-18(3-6-26)8-10(27)7-12(18)21/h1,4,9-10,12,27H,2-3,5-8,21H2,(H2,22,25)/t10-,12+/m0/s1
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n/an/a 4n/an/an/an/an/an/a



Novartis AG

US Patent


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


US Patent US10336774 (2019)


BindingDB Entry DOI: 10.7270/Q2BR8VJV
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM408075
PNG
(US10336774, Example 60)
Show SMILES CO[C@H]1C[C@@H](N)C2(C1)CCN(CC2)c1cnc(Sc2ccnc(Cl)c2Cl)c(N)n1
Show InChI InChI=1S/C19H24Cl2N6OS/c1-28-11-8-13(22)19(9-11)3-6-27(7-4-19)14-10-25-18(17(23)26-14)29-12-2-5-24-16(21)15(12)20/h2,5,10-11,13H,3-4,6-9,22H2,1H3,(H2,23,26)/t11-,13+/m0/s1
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n/an/a 4n/an/an/an/an/an/a



Novartis AG

US Patent


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


US Patent US10336774 (2019)


BindingDB Entry DOI: 10.7270/Q2BR8VJV
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM408086
PNG
(US10336774, Example 77)
Show SMILES N[C@@H]1CCCC11CCN(CC1)c1cnc(Sc2ccnc(F)c2Cl)c(N)n1
Show InChI InChI=1S/C18H22ClFN6S/c19-14-11(3-7-23-15(14)20)27-17-16(22)25-13(10-24-17)26-8-5-18(6-9-26)4-1-2-12(18)21/h3,7,10,12H,1-2,4-6,8-9,21H2,(H2,22,25)/t12-/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Novartis AG

US Patent


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


US Patent US10336774 (2019)


BindingDB Entry DOI: 10.7270/Q2BR8VJV
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM408058
PNG
(US10336774, Example 43)
Show SMILES N[C@@H]1C[C@@H](O)CC11CCN(CC1)c1cnc(Sc2cccnc2C(F)(F)F)c(N)n1
Show InChI InChI=1S/C19H23F3N6OS/c20-19(21,22)15-12(2-1-5-25-15)30-17-16(24)27-14(10-26-17)28-6-3-18(4-7-28)9-11(29)8-13(18)23/h1-2,5,10-11,13,29H,3-4,6-9,23H2,(H2,24,27)/t11-,13-/m1/s1
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n/an/a 6n/an/an/an/an/an/a



Novartis AG

US Patent


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


US Patent US10336774 (2019)


BindingDB Entry DOI: 10.7270/Q2BR8VJV
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM408076
PNG
(US10336774, Example 61)
Show SMILES C[C@@H]1C[C@@H](N)C2(C1)CCN(CC2)c1cnc(Sc2cccnc2C(F)(F)F)c(N)n1
Show InChI InChI=1S/C20H25F3N6S/c1-12-9-14(24)19(10-12)4-7-29(8-5-19)15-11-27-18(17(25)28-15)30-13-3-2-6-26-16(13)20(21,22)23/h2-3,6,11-12,14H,4-5,7-10,24H2,1H3,(H2,25,28)/t12-,14-/m1/s1
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n/an/a 7n/an/an/an/an/an/a



Novartis AG

US Patent


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


US Patent US10336774 (2019)


BindingDB Entry DOI: 10.7270/Q2BR8VJV
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM408078
PNG
(US10336774, Example 63)
Show SMILES N[C@@H]1COCC11CCN(CC1)c1cnc(Sc2ccnc(Cl)c2Cl)c(N)n1
Show InChI InChI=1S/C17H20Cl2N6OS/c18-13-10(1-4-22-14(13)19)27-16-15(21)24-12(7-23-16)25-5-2-17(3-6-25)9-26-8-11(17)20/h1,4,7,11H,2-3,5-6,8-9,20H2,(H2,21,24)/t11-/m1/s1
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Novartis AG

US Patent


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


US Patent US10336774 (2019)


BindingDB Entry DOI: 10.7270/Q2BR8VJV
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM408067
PNG
(US10336774, Example 52)
Show SMILES N[C@@H]1COCC11CCN(CC1)c1cnc(Sc2ccnc(N)c2Cl)c(N)n1
Show InChI InChI=1S/C17H22ClN7OS/c18-13-10(1-4-22-14(13)20)27-16-15(21)24-12(7-23-16)25-5-2-17(3-6-25)9-26-8-11(17)19/h1,4,7,11H,2-3,5-6,8-9,19H2,(H2,20,22)(H2,21,24)/t11-/m1/s1
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Novartis AG

US Patent


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


US Patent US10336774 (2019)


BindingDB Entry DOI: 10.7270/Q2BR8VJV
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM408057
PNG
(US10336774, Example 42)
Show SMILES N[C@@H]1C[C@H](O)CC11CCN(CC1)c1cnc(Sc2cccnc2C(F)(F)F)c(N)n1
Show InChI InChI=1S/C19H23F3N6OS/c20-19(21,22)15-12(2-1-5-25-15)30-17-16(24)27-14(10-26-17)28-6-3-18(4-7-28)9-11(29)8-13(18)23/h1-2,5,10-11,13,29H,3-4,6-9,23H2,(H2,24,27)/t11-,13+/m0/s1
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Novartis AG

US Patent


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


US Patent US10336774 (2019)


BindingDB Entry DOI: 10.7270/Q2BR8VJV
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM408097
PNG
(US10336774, Example 91)
Show SMILES N[C@@H]1C[C@H](F)CC11CCN(CC1)c1cnc(Sc2ccnc(N)c2Cl)c(N)n1
Show InChI InChI=1S/C18H23ClFN7S/c19-14-11(1-4-24-15(14)22)28-17-16(23)26-13(9-25-17)27-5-2-18(3-6-27)8-10(20)7-12(18)21/h1,4,9-10,12H,2-3,5-8,21H2,(H2,22,24)(H2,23,26)/t10-,12+/m0/s1
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Novartis AG

US Patent


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


US Patent US10336774 (2019)


BindingDB Entry DOI: 10.7270/Q2BR8VJV
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM408071
PNG
(US10336774, Example 56)
Show SMILES C[C@@H]1CCC2(CCN(CC2)c2cnc(Sc3ccnc(N)c3Cl)c(N)n2)[C@@H]1N
Show InChI InChI=1S/C19H26ClN7S/c1-11-2-4-19(15(11)21)5-8-27(9-6-19)13-10-25-18(17(23)26-13)28-12-3-7-24-16(22)14(12)20/h3,7,10-11,15H,2,4-6,8-9,21H2,1H3,(H2,22,24)(H2,23,26)/t11-,15-/m1/s1
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Novartis AG

US Patent


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


US Patent US10336774 (2019)


BindingDB Entry DOI: 10.7270/Q2BR8VJV
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM408063
PNG
(US10336774, Example 48)
Show SMILES CO[C@H]1C[C@@H](N)C2(C1)CCN(CC2)c1cnc(Sc2cccnc2C(F)(F)F)c(N)n1
Show InChI InChI=1S/C20H25F3N6OS/c1-30-12-9-14(24)19(10-12)4-7-29(8-5-19)15-11-27-18(17(25)28-15)31-13-3-2-6-26-16(13)20(21,22)23/h2-3,6,11-12,14H,4-5,7-10,24H2,1H3,(H2,25,28)/t12-,14+/m0/s1
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Novartis AG

US Patent


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


US Patent US10336774 (2019)


BindingDB Entry DOI: 10.7270/Q2BR8VJV
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM408093
PNG
(US10336774, Example 87)
Show SMILES N[C@@H]1CCCC11CCN(CC1)c1cnc(Sc2cc(N)nc(Cl)c2Cl)c(N)n1
Show InChI InChI=1S/C18H23Cl2N7S/c19-14-10(8-12(22)25-15(14)20)28-17-16(23)26-13(9-24-17)27-6-4-18(5-7-27)3-1-2-11(18)21/h8-9,11H,1-7,21H2,(H2,22,25)(H2,23,26)/t11-/m1/s1
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Novartis AG

US Patent


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


US Patent US10336774 (2019)


BindingDB Entry DOI: 10.7270/Q2BR8VJV
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM408066
PNG
(US10336774, Example 51)
Show SMILES N[C@@H]1CCCC11CCN(CC1)c1cnc(Sc2cc(N)ncc2Cl)c(N)n1
Show InChI InChI=1S/C18H24ClN7S/c19-11-9-23-14(21)8-12(11)27-17-16(22)25-15(10-24-17)26-6-4-18(5-7-26)3-1-2-13(18)20/h8-10,13H,1-7,20H2,(H2,21,23)(H2,22,25)/t13-/m1/s1
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Novartis AG

US Patent


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


US Patent US10336774 (2019)


BindingDB Entry DOI: 10.7270/Q2BR8VJV
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM408074
PNG
(US10336774, Example 59)
Show SMILES CO[C@H]1C[C@@H](N)C2(C1)CCN(CC2)c1cnc(Sc2ccnc(N)c2Cl)c(N)n1
Show InChI InChI=1S/C19H26ClN7OS/c1-28-11-8-13(21)19(9-11)3-6-27(7-4-19)14-10-25-18(17(23)26-14)29-12-2-5-24-16(22)15(12)20/h2,5,10-11,13H,3-4,6-9,21H2,1H3,(H2,22,24)(H2,23,26)/t11-,13+/m0/s1
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Novartis AG

US Patent


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


US Patent US10336774 (2019)


BindingDB Entry DOI: 10.7270/Q2BR8VJV
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM408034
PNG
(US10336774, Example 3)
Show SMILES N[C@@H]1CCCC11CCN(CC1)c1cnc(Sc2cccc(Cl)c2Cl)c(N)n1
Show InChI InChI=1S/C19H23Cl2N5S/c20-12-3-1-4-13(16(12)21)27-18-17(23)25-15(11-24-18)26-9-7-19(8-10-26)6-2-5-14(19)22/h1,3-4,11,14H,2,5-10,22H2,(H2,23,25)/t14-/m1/s1
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Novartis AG

US Patent


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


US Patent US10336774 (2019)


BindingDB Entry DOI: 10.7270/Q2BR8VJV
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM408098
PNG
(US10336774, Example 92)
Show SMILES N[C@@H]1C[C@@H](F)CC11CCN(CC1)c1cnc(Sc2ccnc(N)c2Cl)c(N)n1
Show InChI InChI=1S/C18H23ClFN7S/c19-14-11(1-4-24-15(14)22)28-17-16(23)26-13(9-25-17)27-5-2-18(3-6-27)8-10(20)7-12(18)21/h1,4,9-10,12H,2-3,5-8,21H2,(H2,22,24)(H2,23,26)/t10-,12-/m1/s1
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Novartis AG

US Patent


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


US Patent US10336774 (2019)


BindingDB Entry DOI: 10.7270/Q2BR8VJV
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM408069
PNG
(US10336774, Example 54)
Show SMILES N[C@@H]1COCC11CCN(CC1)c1cnc(Sc2cccnc2Cl)c(N)n1
Show InChI InChI=1S/C17H21ClN6OS/c18-14-11(2-1-5-21-14)26-16-15(20)23-13(8-22-16)24-6-3-17(4-7-24)10-25-9-12(17)19/h1-2,5,8,12H,3-4,6-7,9-10,19H2,(H2,20,23)/t12-/m1/s1
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Novartis AG

US Patent


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


US Patent US10336774 (2019)


BindingDB Entry DOI: 10.7270/Q2BR8VJV
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM408092
PNG
(US10336774, Example 86b)
Show SMILES C[C@@H]1CCC2(CCN(CC2)c2cnc(Sc3cccnc3C(F)(F)F)c(N)n2)[C@@H]1N
Show InChI InChI=1S/C20H25F3N6S/c1-12-4-5-19(15(12)24)6-9-29(10-7-19)14-11-27-18(17(25)28-14)30-13-3-2-8-26-16(13)20(21,22)23/h2-3,8,11-12,15H,4-7,9-10,24H2,1H3,(H2,25,28)/t12-,15-/m1/s1
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Novartis AG

US Patent


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


US Patent US10336774 (2019)


BindingDB Entry DOI: 10.7270/Q2BR8VJV
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM408091
PNG
(US10336774, Example 86a)
Show SMILES C[C@H]1CCC2(CCN(CC2)c2cnc(Sc3cccnc3C(F)(F)F)c(N)n2)[C@@H]1N
Show InChI InChI=1S/C20H25F3N6S/c1-12-4-5-19(15(12)24)6-9-29(10-7-19)14-11-27-18(17(25)28-14)30-13-3-2-8-26-16(13)20(21,22)23/h2-3,8,11-12,15H,4-7,9-10,24H2,1H3,(H2,25,28)/t12-,15+/m0/s1
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Novartis AG

US Patent


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


US Patent US10336774 (2019)


BindingDB Entry DOI: 10.7270/Q2BR8VJV
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM408082
PNG
(US10336774, Example 67)
Show SMILES N[C@@H]1CC(F)(F)CC11CCN(CC1)c1cnc(Sc2ccnc(N)c2Cl)c(N)n1
Show InChI InChI=1S/C18H22ClF2N7S/c19-13-10(1-4-25-14(13)23)29-16-15(24)27-12(8-26-16)28-5-2-17(3-6-28)9-18(20,21)7-11(17)22/h1,4,8,11H,2-3,5-7,9,22H2,(H2,23,25)(H2,24,27)/t11-/m1/s1
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Novartis AG

US Patent


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


US Patent US10336774 (2019)


BindingDB Entry DOI: 10.7270/Q2BR8VJV
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM408095
PNG
(US10336774, Example 89)
Show SMILES N[C@@H]1COCC11CCN(CC1)c1cnc(Sc2cc(N)nc(Cl)c2Cl)c(N)n1
Show InChI InChI=1S/C17H21Cl2N7OS/c18-13-9(5-11(21)24-14(13)19)28-16-15(22)25-12(6-23-16)26-3-1-17(2-4-26)8-27-7-10(17)20/h5-6,10H,1-4,7-8,20H2,(H2,21,24)(H2,22,25)/t10-/m1/s1
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Novartis AG

US Patent


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


US Patent US10336774 (2019)


BindingDB Entry DOI: 10.7270/Q2BR8VJV
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM408079
PNG
(US10336774, Example 64)
Show SMILES N[C@@H]1COCC11CCN(CC1)c1cnc(Sc2ccnc(F)c2Cl)c(N)n1
Show InChI InChI=1S/C17H20ClFN6OS/c18-13-10(1-4-22-14(13)19)27-16-15(21)24-12(7-23-16)25-5-2-17(3-6-25)9-26-8-11(17)20/h1,4,7,11H,2-3,5-6,8-9,20H2,(H2,21,24)/t11-/m1/s1
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Novartis AG

US Patent


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


US Patent US10336774 (2019)


BindingDB Entry DOI: 10.7270/Q2BR8VJV
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM408087
PNG
(US10336774, Example 78)
Show SMILES COc1nccc(Sc2ncc(nc2N)N2CCC3(CCC[C@H]3N)CC2)c1Cl
Show InChI InChI=1S/C19H25ClN6OS/c1-27-17-15(20)12(4-8-23-17)28-18-16(22)25-14(11-24-18)26-9-6-19(7-10-26)5-2-3-13(19)21/h4,8,11,13H,2-3,5-7,9-10,21H2,1H3,(H2,22,25)/t13-/m1/s1
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Novartis AG

US Patent


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


US Patent US10336774 (2019)


BindingDB Entry DOI: 10.7270/Q2BR8VJV
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM408048
PNG
(US10336774, Example 15)
Show SMILES N[C@H]1CCC11CCN(CC1)c1cnc(Sc2cccc(N)c2Cl)c(N)n1
Show InChI InChI=1S/C18H23ClN6S/c19-15-11(20)2-1-3-12(15)26-17-16(22)24-14(10-23-17)25-8-6-18(7-9-25)5-4-13(18)21/h1-3,10,13H,4-9,20-21H2,(H2,22,24)/t13-/m0/s1
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Novartis AG

US Patent


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


US Patent US10336774 (2019)


BindingDB Entry DOI: 10.7270/Q2BR8VJV
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM408083
PNG
(US10336774, Example 73)
Show SMILES NC1=NC2(CO1)CCN(CC2)c1cnc(Sc2ccnc(Cl)c2Cl)c(N)n1
Show InChI InChI=1S/C16H17Cl2N7OS/c17-11-9(1-4-21-12(11)18)27-14-13(19)23-10(7-22-14)25-5-2-16(3-6-25)8-26-15(20)24-16/h1,4,7H,2-3,5-6,8H2,(H2,19,23)(H2,20,24)
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Novartis AG

US Patent


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


US Patent US10336774 (2019)


BindingDB Entry DOI: 10.7270/Q2BR8VJV
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM408062
PNG
(US10336774, Example 47)
Show SMILES NC1CC(F)(F)CC11CCN(CC1)c1cnc(Sc2cccnc2C(F)(F)F)c(N)n1
Show InChI InChI=1S/C19H21F5N6S/c20-18(21)8-12(25)17(10-18)3-6-30(7-4-17)13-9-28-16(15(26)29-13)31-11-2-1-5-27-14(11)19(22,23)24/h1-2,5,9,12H,3-4,6-8,10,25H2,(H2,26,29)
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Novartis AG

US Patent


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


US Patent US10336774 (2019)


BindingDB Entry DOI: 10.7270/Q2BR8VJV
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM408088
PNG
(US10336774, Example 79)
Show SMILES N[C@@H]1CCCC11CCN(CC1)c1cnc(Sc2ccncc2Cl)c(N)n1
Show InChI InChI=1S/C18H23ClN6S/c19-12-10-22-7-3-13(12)26-17-16(21)24-15(11-23-17)25-8-5-18(6-9-25)4-1-2-14(18)20/h3,7,10-11,14H,1-2,4-6,8-9,20H2,(H2,21,24)/t14-/m1/s1
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Novartis AG

US Patent


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


US Patent US10336774 (2019)


BindingDB Entry DOI: 10.7270/Q2BR8VJV
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM408033
PNG
(US10336774, Example 2)
Show SMILES NC1CCCC11CCN(CC1)c1cnc(Sc2cccc(Cl)c2Cl)c(N)n1
Show InChI InChI=1S/C19H23Cl2N5S/c20-12-3-1-4-13(16(12)21)27-18-17(23)25-15(11-24-18)26-9-7-19(8-10-26)6-2-5-14(19)22/h1,3-4,11,14H,2,5-10,22H2,(H2,23,25)
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Novartis AG

US Patent


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


US Patent US10336774 (2019)


BindingDB Entry DOI: 10.7270/Q2BR8VJV
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM408035
PNG
(US10336774, Example 4)
Show SMILES NC1CCCCC11CCN(CC1)c1cnc(Sc2cccc(Cl)c2Cl)c(N)n1
Show InChI InChI=1S/C20H25Cl2N5S/c21-13-4-3-5-14(17(13)22)28-19-18(24)26-16(12-25-19)27-10-8-20(9-11-27)7-2-1-6-15(20)23/h3-5,12,15H,1-2,6-11,23H2,(H2,24,26)
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Novartis AG

US Patent


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


US Patent US10336774 (2019)


BindingDB Entry DOI: 10.7270/Q2BR8VJV
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM408061
PNG
(US10336774, Example 46)
Show SMILES CO[C@@H]1C[C@@H](N)C2(C1)CCN(CC2)c1cnc(Sc2ccnc(Cl)c2Cl)c(N)n1
Show InChI InChI=1S/C19H24Cl2N6OS/c1-28-11-8-13(22)19(9-11)3-6-27(7-4-19)14-10-25-18(17(23)26-14)29-12-2-5-24-16(21)15(12)20/h2,5,10-11,13H,3-4,6-9,22H2,1H3,(H2,23,26)/t11-,13-/m1/s1
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Novartis AG

US Patent


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


US Patent US10336774 (2019)


BindingDB Entry DOI: 10.7270/Q2BR8VJV
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM408089
PNG
(US10336774, Example 80)
Show SMILES N[C@@H]1CCCC11CCN(CC1)c1cnc(Sc2ccncc2C(F)(F)F)c(N)n1
Show InChI InChI=1S/C19H23F3N6S/c20-19(21,22)12-10-25-7-3-13(12)29-17-16(24)27-15(11-26-17)28-8-5-18(6-9-28)4-1-2-14(18)23/h3,7,10-11,14H,1-2,4-6,8-9,23H2,(H2,24,27)/t14-/m1/s1
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Novartis AG

US Patent


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


US Patent US10336774 (2019)


BindingDB Entry DOI: 10.7270/Q2BR8VJV
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM408055
PNG
(US10336774, Example 27)
Show SMILES N[C@H]1CCC11CCN(CC1)c1cnc(Sc2ccnc(N)c2Cl)c(N)n1
Show InChI InChI=1S/C17H22ClN7S/c18-13-10(2-6-22-14(13)20)26-16-15(21)24-12(9-23-16)25-7-4-17(5-8-25)3-1-11(17)19/h2,6,9,11H,1,3-5,7-8,19H2,(H2,20,22)(H2,21,24)/t11-/m0/s1
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Novartis AG

US Patent


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


US Patent US10336774 (2019)


BindingDB Entry DOI: 10.7270/Q2BR8VJV
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM408060
PNG
(US10336774, Example 45)
Show SMILES CO[C@@H]1C[C@@H](N)C2(C1)CCN(CC2)c1cnc(Sc2ccnc(N)c2Cl)c(N)n1
Show InChI InChI=1S/C19H26ClN7OS/c1-28-11-8-13(21)19(9-11)3-6-27(7-4-19)14-10-25-18(17(23)26-14)29-12-2-5-24-16(22)15(12)20/h2,5,10-11,13H,3-4,6-9,21H2,1H3,(H2,22,24)(H2,23,26)/t11-,13-/m1/s1
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Novartis AG

US Patent


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


US Patent US10336774 (2019)


BindingDB Entry DOI: 10.7270/Q2BR8VJV
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM408054
PNG
(US10336774, Example 22)
Show SMILES N[C@H]1CCC11CCN(CC1)c1nc(N)c(Sc2cccnc2C(F)(F)F)nc1C(N)=O
Show InChI InChI=1S/C19H22F3N7OS/c20-19(21,22)13-10(2-1-7-26-13)31-17-14(24)28-16(12(27-17)15(25)30)29-8-5-18(6-9-29)4-3-11(18)23/h1-2,7,11H,3-6,8-9,23H2,(H2,24,28)(H2,25,30)/t11-/m0/s1
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Novartis AG

US Patent


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


US Patent US10336774 (2019)


BindingDB Entry DOI: 10.7270/Q2BR8VJV
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM408084
PNG
(US10336774, Example 74)
Show SMILES NC1=NC2(CO1)CCN(CC2)c1cnc(Sc2cccnc2C(F)(F)F)c(N)n1
Show InChI InChI=1S/C17H18F3N7OS/c18-17(19,20)12-10(2-1-5-23-12)29-14-13(21)25-11(8-24-14)27-6-3-16(4-7-27)9-28-15(22)26-16/h1-2,5,8H,3-4,6-7,9H2,(H2,21,25)(H2,22,26)
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Novartis AG

US Patent


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


US Patent US10336774 (2019)


BindingDB Entry DOI: 10.7270/Q2BR8VJV
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM408081
PNG
(US10336774, Example 66)
Show SMILES CC(C)C(=O)O[C@@H]1C[C@@H](N)C2(C1)CCN(CC2)c1cnc(Sc2ccnc(Cl)c2Cl)c(N)n1
Show InChI InChI=1S/C22H28Cl2N6O2S/c1-12(2)21(31)32-13-9-15(25)22(10-13)4-7-30(8-5-22)16-11-28-20(19(26)29-16)33-14-3-6-27-18(24)17(14)23/h3,6,11-13,15H,4-5,7-10,25H2,1-2H3,(H2,26,29)/t13-,15-/m1/s1
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n/an/a 65n/an/an/an/an/an/a



Novartis AG

US Patent


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


US Patent US10336774 (2019)


BindingDB Entry DOI: 10.7270/Q2BR8VJV
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM38019
PNG
(US10093646, Compound 1 | US10301278, Example 00003...)
Show SMILES CC1(N)CCN(CC1)c1cnc(c(N)n1)-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C24H34N4O2/c1-18-8-7-9-19-16-20(23(29)26-22(18)19)17-28(15-14-27-12-5-6-13-27)24(30)25-21-10-3-2-4-11-21/h7-9,16,21H,2-6,10-15,17H2,1H3,(H,25,30)(H,26,29)
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n/an/a 70n/an/an/an/an/an/a



Novartis AG

US Patent


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


US Patent US10336774 (2019)


BindingDB Entry DOI: 10.7270/Q2BR8VJV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM408070
PNG
(US10336774, Example 55)
Show SMILES N[C@@H]1COCC11CCN(CC1)c1cnc(Sc2ccnnc2Cl)c(N)n1
Show InChI InChI=1S/C16H20ClN7OS/c17-13-10(1-4-21-23-13)26-15-14(19)22-12(7-20-15)24-5-2-16(3-6-24)9-25-8-11(16)18/h1,4,7,11H,2-3,5-6,8-9,18H2,(H2,19,22)/t11-/m1/s1
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n/an/a 73n/an/an/an/an/an/a



Novartis AG

US Patent


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


US Patent US10336774 (2019)


BindingDB Entry DOI: 10.7270/Q2BR8VJV
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM408038
PNG
(US10336774, Example 7)
Show SMILES NC1CCCC11CCN(CC1)c1cnc(c(N)n1)-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C19H23Cl2N5/c20-13-4-1-3-12(16(13)21)17-18(23)25-15(11-24-17)26-9-7-19(8-10-26)6-2-5-14(19)22/h1,3-4,11,14H,2,5-10,22H2,(H2,23,25)
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n/an/a 73n/an/an/an/an/an/a



Novartis AG

US Patent


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


US Patent US10336774 (2019)


BindingDB Entry DOI: 10.7270/Q2BR8VJV
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM408037
PNG
(US10336774, Example 6)
Show SMILES NC1CCCCC11CCN(CC1)c1cnc(c(N)n1)-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C20H25Cl2N5/c21-14-5-3-4-13(17(14)22)18-19(24)26-16(12-25-18)27-10-8-20(9-11-27)7-2-1-6-15(20)23/h3-5,12,15H,1-2,6-11,23H2,(H2,24,26)
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n/an/a 74n/an/an/an/an/an/a



Novartis AG

US Patent


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


US Patent US10336774 (2019)


BindingDB Entry DOI: 10.7270/Q2BR8VJV
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM408085
PNG
(US10336774, Example 76)
Show SMILES N[C@@H]1CCCC11CCN(CC1)c1cnc(Sc2ccnnc2Cl)c(N)n1
Show InChI InChI=1S/C17H22ClN7S/c18-14-11(3-7-22-24-14)26-16-15(20)23-13(10-21-16)25-8-5-17(6-9-25)4-1-2-12(17)19/h3,7,10,12H,1-2,4-6,8-9,19H2,(H2,20,23)/t12-/m1/s1
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n/an/a 78n/an/an/an/an/an/a



Novartis AG

US Patent


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


US Patent US10336774 (2019)


BindingDB Entry DOI: 10.7270/Q2BR8VJV
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM408077
PNG
(US10336774, Example 62)
Show SMILES C[C@@H]1C[C@H](N)C2(C1)CCN(CC2)c1cnc(Sc2cccnc2C(F)(F)F)c(N)n1
Show InChI InChI=1S/C20H25F3N6S/c1-12-9-14(24)19(10-12)4-7-29(8-5-19)15-11-27-18(17(25)28-15)30-13-3-2-6-26-16(13)20(21,22)23/h2-3,6,11-12,14H,4-5,7-10,24H2,1H3,(H2,25,28)/t12-,14+/m1/s1
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Novartis AG

US Patent


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


US Patent US10336774 (2019)


BindingDB Entry DOI: 10.7270/Q2BR8VJV
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM408050
PNG
(US10336774, Example 17a)
Show SMILES N[C@H]1CCC11CCN(CC1)c1cnc(c(N)n1)-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C18H21Cl2N5/c19-12-3-1-2-11(15(12)20)16-17(22)24-14(10-23-16)25-8-6-18(7-9-25)5-4-13(18)21/h1-3,10,13H,4-9,21H2,(H2,22,24)/t13-/m0/s1
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Novartis AG

US Patent


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


US Patent US10336774 (2019)


BindingDB Entry DOI: 10.7270/Q2BR8VJV
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM408059
PNG
(US10336774, Example 44)
Show SMILES N[C@H]1C[C@H](O)CC11CCN(CC1)c1cnc(Sc2cccnc2C(F)(F)F)c(N)n1
Show InChI InChI=1S/C19H23F3N6OS/c20-19(21,22)15-12(2-1-5-25-15)30-17-16(24)27-14(10-26-17)28-6-3-18(4-7-28)9-11(29)8-13(18)23/h1-2,5,10-11,13,29H,3-4,6-9,23H2,(H2,24,27)/t11-,13-/m0/s1
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Novartis AG

US Patent


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


US Patent US10336774 (2019)


BindingDB Entry DOI: 10.7270/Q2BR8VJV
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM408041
PNG
(US10336774, Example 10b | US10336774, Example 11b)
Show SMILES N[C@@H]1CC[C@@]11CCN(C1)c1cnc(c(N)n1)-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C17H19Cl2N5/c18-11-3-1-2-10(14(11)19)15-16(21)23-13(8-22-15)24-7-6-17(9-24)5-4-12(17)20/h1-3,8,12H,4-7,9,20H2,(H2,21,23)/t12-,17+/m1/s1
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Novartis AG

US Patent


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


US Patent US10336774 (2019)


BindingDB Entry DOI: 10.7270/Q2BR8VJV
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM408049
PNG
(US10336774, Example 16)
Show SMILES NC1CCC11CCN(CC1)c1cnc(c(N)n1)-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C18H21Cl2N5/c19-12-3-1-2-11(15(12)20)16-17(22)24-14(10-23-16)25-8-6-18(7-9-25)5-4-13(18)21/h1-3,10,13H,4-9,21H2,(H2,22,24)
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Novartis AG

US Patent


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


US Patent US10336774 (2019)


BindingDB Entry DOI: 10.7270/Q2BR8VJV
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM408041
PNG
(US10336774, Example 10b | US10336774, Example 11b)
Show SMILES N[C@@H]1CC[C@@]11CCN(C1)c1cnc(c(N)n1)-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C17H19Cl2N5/c18-11-3-1-2-10(14(11)19)15-16(21)23-13(8-22-15)24-7-6-17(9-24)5-4-12(17)20/h1-3,8,12H,4-7,9,20H2,(H2,21,23)/t12-,17+/m1/s1
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Novartis AG

US Patent


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


US Patent US10336774 (2019)


BindingDB Entry DOI: 10.7270/Q2BR8VJV
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM408056
PNG
(US10336774, Example 35)
Show SMILES NC1CCOC11CCN(CC1)c1cnc(Sc2cccnc2C(F)(F)F)c(N)n1
Show InChI InChI=1S/C18H21F3N6OS/c19-18(20,21)14-11(2-1-6-24-14)29-16-15(23)26-13(10-25-16)27-7-4-17(5-8-27)12(22)3-9-28-17/h1-2,6,10,12H,3-5,7-9,22H2,(H2,23,26)
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Novartis AG

US Patent


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


US Patent US10336774 (2019)


BindingDB Entry DOI: 10.7270/Q2BR8VJV
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM408064
PNG
(US10336774, Example 49)
Show SMILES CN[C@@H]1C[C@H](O)CC11CCN(CC1)c1cnc(Sc2cccnc2C(F)(F)F)c(N)n1
Show InChI InChI=1S/C20H25F3N6OS/c1-25-14-9-12(30)10-19(14)4-7-29(8-5-19)15-11-27-18(17(24)28-15)31-13-3-2-6-26-16(13)20(21,22)23/h2-3,6,11-12,14,25,30H,4-5,7-10H2,1H3,(H2,24,28)/t12-,14+/m0/s1
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Novartis AG

US Patent


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


US Patent US10336774 (2019)


BindingDB Entry DOI: 10.7270/Q2BR8VJV
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM408068
PNG
(US10336774, Example 53)
Show SMILES N[C@H]1COCC11CCN(CC1)c1cnc(Sc2ccnc(N)c2Cl)c(N)n1
Show InChI InChI=1S/C17H22ClN7OS/c18-13-10(1-4-22-14(13)20)27-16-15(21)24-12(7-23-16)25-5-2-17(3-6-25)9-26-8-11(17)19/h1,4,7,11H,2-3,5-6,8-9,19H2,(H2,20,22)(H2,21,24)/t11-/m0/s1
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Novartis AG

US Patent


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


US Patent US10336774 (2019)


BindingDB Entry DOI: 10.7270/Q2BR8VJV
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM408080
PNG
(US10336774, Example 65)
Show SMILES N[C@@H]1CCCC11CCN(CC1)c1cnc(Sc2cc(F)ncc2Cl)c(N)n1
Show InChI InChI=1S/C18H22ClFN6S/c19-11-9-23-14(20)8-12(11)27-17-16(22)25-15(10-24-17)26-6-4-18(5-7-26)3-1-2-13(18)21/h8-10,13H,1-7,21H2,(H2,22,25)/t13-/m1/s1
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Novartis AG

US Patent


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


US Patent US10336774 (2019)


BindingDB Entry DOI: 10.7270/Q2BR8VJV
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM408036
PNG
(US10336774, Example 5)
Show SMILES N[C@@H]1CCOC11CCN(CC1)c1cnc(Sc2cccnc2C(F)(F)F)c(N)n1
Show InChI InChI=1S/C18H21F3N6OS/c19-18(20,21)14-11(2-1-6-24-14)29-16-15(23)26-13(10-25-16)27-7-4-17(5-8-27)12(22)3-9-28-17/h1-2,6,10,12H,3-5,7-9,22H2,(H2,23,26)/t12-/m1/s1
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Novartis AG

US Patent


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


US Patent US10336774 (2019)


BindingDB Entry DOI: 10.7270/Q2BR8VJV
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM408044
PNG
(US10336774, Example 12a | US10336774, Example 13a)
Show SMILES N[C@H]1CC[C@@]11CCN(C1)c1cnc(Sc2cccc(Cl)c2Cl)c(N)n1
Show InChI InChI=1S/C17H19Cl2N5S/c18-10-2-1-3-11(14(10)19)25-16-15(21)23-13(8-22-16)24-7-6-17(9-24)5-4-12(17)20/h1-3,8,12H,4-7,9,20H2,(H2,21,23)/t12-,17-/m0/s1
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Novartis AG

US Patent


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


US Patent US10336774 (2019)


BindingDB Entry DOI: 10.7270/Q2BR8VJV
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM408040
PNG
(US10336774, Example 10a | US10336774, Example 11a)
Show SMILES N[C@H]1CC[C@@]11CCN(C1)c1cnc(c(N)n1)-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C17H19Cl2N5/c18-11-3-1-2-10(14(11)19)15-16(21)23-13(8-22-15)24-7-6-17(9-24)5-4-12(17)20/h1-3,8,12H,4-7,9,20H2,(H2,21,23)/t12-,17-/m0/s1
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n/an/a 365n/an/an/an/an/an/a



Novartis AG

US Patent


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


US Patent US10336774 (2019)


BindingDB Entry DOI: 10.7270/Q2BR8VJV
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM408051
PNG
(US10336774, Example 17b)
Show SMILES N[C@@H]1CCC11CCN(CC1)c1cnc(c(N)n1)-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C18H21Cl2N5/c19-12-3-1-2-11(15(12)20)16-17(22)24-14(10-23-16)25-8-6-18(7-9-25)5-4-13(18)21/h1-3,10,13H,4-9,21H2,(H2,22,24)/t13-/m1/s1
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n/an/a 445n/an/an/an/an/an/a



Novartis AG

US Patent


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


US Patent US10336774 (2019)


BindingDB Entry DOI: 10.7270/Q2BR8VJV
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM408040
PNG
(US10336774, Example 10a | US10336774, Example 11a)
Show SMILES N[C@H]1CC[C@@]11CCN(C1)c1cnc(c(N)n1)-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C17H19Cl2N5/c18-11-3-1-2-10(14(11)19)15-16(21)23-13(8-22-15)24-7-6-17(9-24)5-4-12(17)20/h1-3,8,12H,4-7,9,20H2,(H2,21,23)/t12-,17-/m0/s1
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n/an/a 548n/an/an/an/an/an/a



Novartis AG

US Patent


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


US Patent US10336774 (2019)


BindingDB Entry DOI: 10.7270/Q2BR8VJV
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM408065
PNG
(US10336774, Example 50)
Show SMILES NC1=NC(=O)CC11CCN(CC1)c1cnc(Sc2cccnc2C(F)(F)F)c(N)n1
Show InChI InChI=1S/C18H18F3N7OS/c19-18(20,21)13-10(2-1-5-24-13)30-15-14(22)26-11(9-25-15)28-6-3-17(4-7-28)8-12(29)27-16(17)23/h1-2,5,9H,3-4,6-8H2,(H2,22,26)(H2,23,27,29)
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n/an/a 610n/an/an/an/an/an/a



Novartis AG

US Patent


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


US Patent US10336774 (2019)


BindingDB Entry DOI: 10.7270/Q2BR8VJV
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM408090
PNG
(US10336774, Example 85)
Show SMILES N[C@@H]1[C@H](F)CCC11CCN(CC1)c1cnc(Sc2cccnc2C(F)(F)F)c(N)n1
Show InChI InChI=1S/C19H22F4N6S/c20-11-3-4-18(14(11)24)5-8-29(9-6-18)13-10-27-17(16(25)28-13)30-12-2-1-7-26-15(12)19(21,22)23/h1-2,7,10-11,14H,3-6,8-9,24H2,(H2,25,28)/t11-,14-/m1/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Novartis AG

US Patent


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


US Patent US10336774 (2019)


BindingDB Entry DOI: 10.7270/Q2BR8VJV
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM408039
PNG
(US10336774, Example 9)
Show SMILES NC1CCC11CN(C1)c1cnc(c(N)n1)-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C16H17Cl2N5/c17-10-3-1-2-9(13(10)18)14-15(20)22-12(6-21-14)23-7-16(8-23)5-4-11(16)19/h1-3,6,11H,4-5,7-8,19H2,(H2,20,22)
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n/an/a 1.11E+3n/an/an/an/an/an/a



Novartis AG

US Patent


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


US Patent US10336774 (2019)


BindingDB Entry DOI: 10.7270/Q2BR8VJV
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM408045
PNG
(US10336774, Example 12b | US10336774, Example 13b)
Show SMILES N[C@@H]1CC[C@@]11CCN(C1)c1cnc(Sc2cccc(Cl)c2Cl)c(N)n1
Show InChI InChI=1S/C17H19Cl2N5S/c18-10-2-1-3-11(14(10)19)25-16-15(21)23-13(8-22-16)24-7-6-17(9-24)5-4-12(17)20/h1-3,8,12H,4-7,9,20H2,(H2,21,23)/t12-,17+/m1/s1
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n/an/a 1.51E+3n/an/an/an/an/an/a



Novartis AG

US Patent


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


US Patent US10336774 (2019)


BindingDB Entry DOI: 10.7270/Q2BR8VJV
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM408052
PNG
(US10336774, Example 18)
Show SMILES NC1CCS(=O)(=O)C11CCN(CC1)c1cnc(c(N)n1)-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C18H21Cl2N5O2S/c19-12-3-1-2-11(15(12)20)16-17(22)24-14(10-23-16)25-7-5-18(6-8-25)13(21)4-9-28(18,26)27/h1-3,10,13H,4-9,21H2,(H2,22,24)
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n/an/a 3.55E+3n/an/an/an/an/an/a



Novartis AG

US Patent


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


US Patent US10336774 (2019)


BindingDB Entry DOI: 10.7270/Q2BR8VJV
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM408045
PNG
(US10336774, Example 12b | US10336774, Example 13b)
Show SMILES N[C@@H]1CC[C@@]11CCN(C1)c1cnc(Sc2cccc(Cl)c2Cl)c(N)n1
Show InChI InChI=1S/C17H19Cl2N5S/c18-10-2-1-3-11(14(10)19)25-16-15(21)23-13(8-22-16)24-7-6-17(9-24)5-4-12(17)20/h1-3,8,12H,4-7,9,20H2,(H2,21,23)/t12-,17+/m1/s1
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n/an/a 3.93E+3n/an/an/an/an/an/a



Novartis AG

US Patent


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


US Patent US10336774 (2019)


BindingDB Entry DOI: 10.7270/Q2BR8VJV
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM408053
PNG
(US10336774, Example 19)
Show SMILES NC1CCS(=O)(=O)C11CCN(CC1)c1cnc(Sc2cccc(Cl)c2Cl)c(N)n1
Show InChI InChI=1S/C18H21Cl2N5O2S2/c19-11-2-1-3-12(15(11)20)28-17-16(22)24-14(10-23-17)25-7-5-18(6-8-25)13(21)4-9-29(18,26)27/h1-3,10,13H,4-9,21H2,(H2,22,24)
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n/an/a 4.09E+3n/an/an/an/an/an/a



Novartis AG

US Patent


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


US Patent US10336774 (2019)


BindingDB Entry DOI: 10.7270/Q2BR8VJV
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM38021
PNG
(US10093646, Compound 2 | US10301278, Example 00004...)
Show SMILES CC1(N)CCN(CC1)c1cnc(cn1)-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C27H32N6O3/c1-18-11-19(2)26-21(12-18)13-22(27(34)28-26)15-32(14-20-7-4-5-9-24(20)35-3)17-25-29-30-31-33(25)16-23-8-6-10-36-23/h4-5,7,9,11-13,23H,6,8,10,14-17H2,1-3H3,(H,28,34)
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US Patent
n/an/a 5.70E+3n/an/an/an/an/an/a



Novartis AG

US Patent


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


US Patent US10336774 (2019)


BindingDB Entry DOI: 10.7270/Q2BR8VJV
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM408044
PNG
(US10336774, Example 12a | US10336774, Example 13a)
Show SMILES N[C@H]1CC[C@@]11CCN(C1)c1cnc(Sc2cccc(Cl)c2Cl)c(N)n1
Show InChI InChI=1S/C17H19Cl2N5S/c18-10-2-1-3-11(14(10)19)25-16-15(21)23-13(8-22-16)24-7-6-17(9-24)5-4-12(17)20/h1-3,8,12H,4-7,9,20H2,(H2,21,23)/t12-,17-/m0/s1
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n/an/a 5.79E+3n/an/an/an/an/an/a



Novartis AG

US Patent


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


US Patent US10336774 (2019)


BindingDB Entry DOI: 10.7270/Q2BR8VJV
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%