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USPatent US10301278

Compile data set for download or QSAR
Found 58 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))		BDBM392324
PNG
(6-(4-(aminomethyl)-4-methylpiperidin-1-yl)-3-((2,3...)
Show SMILES CC1(CN)CCN(CC1)c1cnc(Sc2ccnc(Cl)c2Cl)c(N)n1
Show InChI InChI=1S/C16H20Cl2N6S/c1-16(9-19)3-6-24(7-4-16)11-8-22-15(14(20)23-11)25-10-2-5-21-13(18)12(10)17/h2,5,8H,3-4,6-7,9,19H2,1H3,(H2,20,23)
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n/an/a 14n/an/an/an/an/an/a



Cornell University



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

J Med Chem 52: 1388-407 (2009)


BindingDB Entry DOI: 10.7270/Q2N87D37
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM392359
PNG
(US10301278, Example 51)
Show SMILES CCCC1(CN)CCN(CC1)c1cnc(Sc2ccnc(N)c2Cl)c(N)n1
Show InChI InChI=1S/C18H26ClN7S/c1-2-4-18(11-20)5-8-26(9-6-18)13-10-24-17(16(22)25-13)27-12-3-7-23-15(21)14(12)19/h3,7,10H,2,4-6,8-9,11,20H2,1H3,(H2,21,23)(H2,22,25)
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n/an/a 17n/an/an/an/an/an/a



Cornell University



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

J Med Chem 52: 1388-407 (2009)


BindingDB Entry DOI: 10.7270/Q2N87D37
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM392362
PNG
(US10301278, Example 55)
Show SMILES CC1(CN)CCN(CC1)c1cnc(Sc2cc(N)nc(Cl)c2Cl)c(N)n1
Show InChI InChI=1S/C16H21Cl2N7S/c1-16(8-19)2-4-25(5-3-16)11-7-22-15(14(21)24-11)26-9-6-10(20)23-13(18)12(9)17/h6-7H,2-5,8,19H2,1H3,(H2,20,23)(H2,21,24)
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n/an/a 17.7n/an/an/an/an/an/a



Cornell University



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

J Med Chem 52: 1388-407 (2009)


BindingDB Entry DOI: 10.7270/Q2N87D37
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM392316
PNG
(5-amino-3-(4-(aminomethyl)-4-methylpiperidin-1-yl)...)
Show SMILES CC1(CN)CCN(CC1)c1nc(N)c(Sc2cccc(Cl)c2Cl)nc1C#N
Show InChI InChI=1S/C18H20Cl2N6S/c1-18(10-22)5-7-26(8-6-18)16-12(9-21)24-17(15(23)25-16)27-13-4-2-3-11(19)14(13)20/h2-4H,5-8,10,22H2,1H3,(H2,23,25)
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n/an/a 19n/an/an/an/an/an/a



Cornell University



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

J Med Chem 52: 1388-407 (2009)


BindingDB Entry DOI: 10.7270/Q2N87D37
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM392338
PNG
(US10301278, Example 20)
Show SMILES CC1(CN)CCN(CC1)c1cnc(Sc2cccc(N)c2Cl)c(N)n1
Show InChI InChI=1S/C17H23ClN6S/c1-17(10-19)5-7-24(8-6-17)13-9-22-16(15(21)23-13)25-12-4-2-3-11(20)14(12)18/h2-4,9H,5-8,10,19-20H2,1H3,(H2,21,23)
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n/an/a 22n/an/an/an/an/an/a



Cornell University



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

J Med Chem 52: 1388-407 (2009)


BindingDB Entry DOI: 10.7270/Q2N87D37
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM392319
PNG
(6-(4-amino-4-methylpiperidin-1-yl)-3-((2-chloro-4-...)
Show SMILES CC1(N)CCN(CC1)c1cnc(Sc2ccc(cc2Cl)-c2nn[nH]n2)c(N)n1
Show InChI InChI=1S/C17H20ClN9S/c1-17(20)4-6-27(7-5-17)13-9-21-16(14(19)22-13)28-12-3-2-10(8-11(12)18)15-23-25-26-24-15/h2-3,8-9H,4-7,20H2,1H3,(H2,19,22)(H,23,24,25,26)
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n/an/a 23n/an/an/an/an/an/a



Cornell University



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

J Med Chem 52: 1388-407 (2009)


BindingDB Entry DOI: 10.7270/Q2N87D37
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM392323
PNG
(3-((2-amino-3-chloropyridin-4-yl)thio)-6-(4-(amino...)
Show SMILES CC1(CN)CCN(CC1)c1cnc(Sc2ccnc(N)c2Cl)c(N)n1
Show InChI InChI=1S/C16H22ClN7S/c1-16(9-18)3-6-24(7-4-16)11-8-22-15(14(20)23-11)25-10-2-5-21-13(19)12(10)17/h2,5,8H,3-4,6-7,9,18H2,1H3,(H2,19,21)(H2,20,23)
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n/an/a 23n/an/an/an/an/an/a



Cornell University



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

J Med Chem 52: 1388-407 (2009)


BindingDB Entry DOI: 10.7270/Q2N87D37
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM392320
PNG
(6-(4-(aminomethyl)-4-methylpiperidin-1-yl)-3-((2-c...)
Show SMILES CC1(CN)CCN(CC1)c1cnc(Sc2cccnc2Cl)c(N)n1
Show InChI InChI=1S/C16H21ClN6S/c1-16(10-18)4-7-23(8-5-16)12-9-21-15(14(19)22-12)24-11-3-2-6-20-13(11)17/h2-3,6,9H,4-5,7-8,10,18H2,1H3,(H2,19,22)
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n/an/a 26n/an/an/an/an/an/a



Cornell University



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

J Med Chem 52: 1388-407 (2009)


BindingDB Entry DOI: 10.7270/Q2N87D37
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM392315
PNG
(6-(4-(aminomethyl)-4-methylpiperidin-1-yl)-3-((2-(...)
Show SMILES CC1(CN)CCN(CC1)c1cnc(Sc2cccnc2C(F)(F)F)c(N)n1
Show InChI InChI=1S/C17H21F3N6S/c1-16(10-21)4-7-26(8-5-16)12-9-24-15(14(22)25-12)27-11-3-2-6-23-13(11)17(18,19)20/h2-3,6,9H,4-5,7-8,10,21H2,1H3,(H2,22,25)
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n/an/a 29n/an/an/an/an/an/a



Cornell University



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

J Med Chem 52: 1388-407 (2009)


BindingDB Entry DOI: 10.7270/Q2N87D37
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM392340
PNG
(US10301278, Example 22)
Show SMILES CC1(N)CCN(CC1)c1cnc(Sc2ccc(Br)cc2Cl)c(N)n1
Show InChI InChI=1S/C16H19BrClN5S/c1-16(20)4-6-23(7-5-16)13-9-21-15(14(19)22-13)24-12-3-2-10(17)8-11(12)18/h2-3,8-9H,4-7,20H2,1H3,(H2,19,22)
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n/an/a 44n/an/an/an/an/an/a



Cornell University



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

J Med Chem 52: 1388-407 (2009)


BindingDB Entry DOI: 10.7270/Q2N87D37
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM392339
PNG
(US10301278, Example 21)
Show SMILES CC1(N)CCN(CC1)c1cnc(Sc2cccc(N)c2C(F)(F)F)c(N)n1
Show InChI InChI=1S/C17H21F3N6S/c1-16(23)5-7-26(8-6-16)12-9-24-15(14(22)25-12)27-11-4-2-3-10(21)13(11)17(18,19)20/h2-4,9H,5-8,21,23H2,1H3,(H2,22,25)
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n/an/a 46n/an/an/an/an/an/a



Cornell University



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

J Med Chem 52: 1388-407 (2009)


BindingDB Entry DOI: 10.7270/Q2N87D37
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM392342
PNG
(US10301278, Example 24)
Show SMILES C[C@@]1(N)CCN(C[C@H]1O)c1cnc(Sc2cccc(Cl)c2Cl)c(N)n1 |r|
Show InChI InChI=1S/C16H19Cl2N5OS/c1-16(20)5-6-23(8-11(16)24)12-7-21-15(14(19)22-12)25-10-4-2-3-9(17)13(10)18/h2-4,7,11,24H,5-6,8,20H2,1H3,(H2,19,22)/t11-,16-/m1/s1
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n/an/a 49n/an/an/an/an/an/a



Cornell University



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

J Med Chem 52: 1388-407 (2009)


BindingDB Entry DOI: 10.7270/Q2N87D37
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM392341
PNG
(US10301278, Example 23)
Show SMILES CC1(N)CCN(CC1)c1cnc(Sc2ccc(F)cc2Cl)c(N)n1
Show InChI InChI=1S/C16H19ClFN5S/c1-16(20)4-6-23(7-5-16)13-9-21-15(14(19)22-13)24-12-3-2-10(18)8-11(12)17/h2-3,8-9H,4-7,20H2,1H3,(H2,19,22)
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n/an/a 51n/an/an/an/an/an/a



Cornell University



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

J Med Chem 52: 1388-407 (2009)


BindingDB Entry DOI: 10.7270/Q2N87D37
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM392314
PNG
(6-(4-(aminomethyl)-4-(pyridin-3-yl)piperidin-1-yl)...)
Show SMILES NCC1(CCN(CC1)c1cnc(Sc2cccc(Cl)c2Cl)c(N)n1)c1cccnc1
Show InChI InChI=1S/C21H22Cl2N6S/c22-15-4-1-5-16(18(15)23)30-20-19(25)28-17(12-27-20)29-9-6-21(13-24,7-10-29)14-3-2-8-26-11-14/h1-5,8,11-12H,6-7,9-10,13,24H2,(H2,25,28)
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n/an/a 54n/an/an/an/an/an/a



Cornell University



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

J Med Chem 52: 1388-407 (2009)


BindingDB Entry DOI: 10.7270/Q2N87D37
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM392251
PNG
(6-(4-amino-4-methylpiperidin-1-yl)-3-((2-chloro-3-...)
Show SMILES COc1cccc(Sc2ncc(nc2N)N2CCC(C)(N)CC2)c1Cl
Show InChI InChI=1S/C17H22ClN5OS/c1-17(20)6-8-23(9-7-17)13-10-21-16(15(19)22-13)25-12-5-3-4-11(24-2)14(12)18/h3-5,10H,6-9,20H2,1-2H3,(H2,19,22)
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n/an/a 56n/an/an/an/an/an/a



Cornell University



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

J Med Chem 52: 1388-407 (2009)


BindingDB Entry DOI: 10.7270/Q2N87D37
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM392009
PNG
(6-(4-amino-4-methylpiperidin-1-yl)-3-((2-(trifluor...)
Show SMILES CC1(N)CCN(CC1)c1cnc(Sc2ccccc2C(F)(F)F)c(N)n1
Show InChI InChI=1S/C17H20F3N5S/c1-16(22)6-8-25(9-7-16)13-10-23-15(14(21)24-13)26-12-5-3-2-4-11(12)17(18,19)20/h2-5,10H,6-9,22H2,1H3,(H2,21,24)
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n/an/a 59n/an/an/an/an/an/a



Cornell University



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

J Med Chem 52: 1388-407 (2009)


BindingDB Entry DOI: 10.7270/Q2N87D37
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM392358
PNG
(US10301278, Example 50)
Show SMILES CCC1(CN)CCN(CC1)c1cnc(Sc2ccnc(N)c2Cl)c(N)n1
Show InChI InChI=1S/C17H24ClN7S/c1-2-17(10-19)4-7-25(8-5-17)12-9-23-16(15(21)24-12)26-11-3-6-22-14(20)13(11)18/h3,6,9H,2,4-5,7-8,10,19H2,1H3,(H2,20,22)(H2,21,24)
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n/an/a 59n/an/an/an/an/an/a



Cornell University



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

J Med Chem 52: 1388-407 (2009)


BindingDB Entry DOI: 10.7270/Q2N87D37
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM392322
PNG
((S) and (R)-6-(4-(1-aminoethyl)-4-methylpiperidin-...)
Show SMILES C[C@H](N)C1(C)CCN(CC1)c1cnc(Sc2cccnc2C(F)(F)F)c(N)n1 |r|
Show InChI InChI=1S/C18H23F3N6S/c1-11(22)17(2)5-8-27(9-6-17)13-10-25-16(15(23)26-13)28-12-4-3-7-24-14(12)18(19,20)21/h3-4,7,10-11H,5-6,8-9,22H2,1-2H3,(H2,23,26)/t11-/m0/s1
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n/an/a 61n/an/an/an/an/an/a



Cornell University



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

J Med Chem 52: 1388-407 (2009)


BindingDB Entry DOI: 10.7270/Q2N87D37
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM392311
PNG
(N-(3-((3-amino-5-(4-amino-4-methylpiperidin-1-yl)p...)
Show SMILES CC1(N)CCN(CC1)c1cnc(Sc2cccc(N)c2Cl)c(N)n1
Show InChI InChI=1S/C16H21ClN6S/c1-16(20)5-7-23(8-6-16)12-9-21-15(14(19)22-12)24-11-4-2-3-10(18)13(11)17/h2-4,9H,5-8,18,20H2,1H3,(H2,19,22)
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n/an/a 62n/an/an/an/an/an/a



Cornell University



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

J Med Chem 52: 1388-407 (2009)


BindingDB Entry DOI: 10.7270/Q2N87D37
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM392326
PNG
((4-amino-1-(6-amino-5-((2,3-dichloropyridin-4-yl)t...)
Show SMILES Nc1nc(cnc1Sc1ccnc(Cl)c1Cl)N1CCC(N)(CO)CC1
Show InChI InChI=1S/C15H18Cl2N6OS/c16-11-9(1-4-20-12(11)17)25-14-13(18)22-10(7-21-14)23-5-2-15(19,8-24)3-6-23/h1,4,7,24H,2-3,5-6,8,19H2,(H2,18,22)
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n/an/a 62n/an/an/an/an/an/a



Cornell University



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

J Med Chem 52: 1388-407 (2009)


BindingDB Entry DOI: 10.7270/Q2N87D37
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM392349
PNG
(US10301278, Example 31b)
Show SMILES C[C@@]1(CN)CCN(C[C@H]1O)c1cnc(Sc2cccnc2C(F)(F)F)c(N)n1 |r|
Show InChI InChI=1S/C17H21F3N6OS/c1-16(9-21)4-6-26(8-11(16)27)12-7-24-15(14(22)25-12)28-10-3-2-5-23-13(10)17(18,19)20/h2-3,5,7,11,27H,4,6,8-9,21H2,1H3,(H2,22,25)/t11-,16+/m1/s1
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n/an/a 64n/an/an/an/an/an/a



Cornell University



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

J Med Chem 52: 1388-407 (2009)


BindingDB Entry DOI: 10.7270/Q2N87D37
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM392311
PNG
(N-(3-((3-amino-5-(4-amino-4-methylpiperidin-1-yl)p...)
Show SMILES CC1(N)CCN(CC1)c1cnc(Sc2cccc(N)c2Cl)c(N)n1
Show InChI InChI=1S/C16H21ClN6S/c1-16(20)5-7-23(8-6-16)12-9-21-15(14(19)22-12)24-11-4-2-3-10(18)13(11)17/h2-4,9H,5-8,18,20H2,1H3,(H2,19,22)
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n/an/a 66n/an/an/an/an/an/a



Cornell University



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

J Med Chem 52: 1388-407 (2009)


BindingDB Entry DOI: 10.7270/Q2N87D37
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM392347
PNG
(US10301278, Example 30)
Show SMILES CC1(N)CCN(CC1)c1cnc(Sc2cccnc2C(F)(F)F)c(N)n1
Show InChI InChI=1S/C16H19F3N6S/c1-15(21)4-7-25(8-5-15)11-9-23-14(13(20)24-11)26-10-3-2-6-22-12(10)16(17,18)19/h2-3,6,9H,4-5,7-8,21H2,1H3,(H2,20,24)
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n/an/a 66n/an/an/an/an/an/a



Cornell University



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

J Med Chem 52: 1388-407 (2009)


BindingDB Entry DOI: 10.7270/Q2N87D37
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM392344
PNG
(US10301278, Example 26)
Show SMILES CC1(N)CCN(CC1)c1cnc(Sc2ccc(F)cc2C(F)(F)F)c(N)n1
Show InChI InChI=1S/C17H19F4N5S/c1-16(23)4-6-26(7-5-16)13-9-24-15(14(22)25-13)27-12-3-2-10(18)8-11(12)17(19,20)21/h2-3,8-9H,4-7,23H2,1H3,(H2,22,25)
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n/an/a 67n/an/an/an/an/an/a



Cornell University



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

J Med Chem 52: 1388-407 (2009)


BindingDB Entry DOI: 10.7270/Q2N87D37
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM392330
PNG
(US10301278, Example 2)
Show SMILES CC1(N)CCN(CC1)c1cnc(Sc2ccccc2Cl)c(N)n1
Show InChI InChI=1S/C16H20ClN5S/c1-16(19)6-8-22(9-7-16)13-10-20-15(14(18)21-13)23-12-5-3-2-4-11(12)17/h2-5,10H,6-9,19H2,1H3,(H2,18,21)
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n/an/a 70n/an/an/an/an/an/a



Cornell University



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

J Med Chem 52: 1388-407 (2009)


BindingDB Entry DOI: 10.7270/Q2N87D37
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



Cornell University



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

J Med Chem 52: 1388-407 (2009)


BindingDB Entry DOI: 10.7270/Q2N87D37
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM392308
PNG
(6-(4-amino-4-methylpiperidin-1-yl)-3-((3-azido-2-c...)
Show SMILES CC1(N)CCN(CC1)c1cnc(Sc2cccc(N=[N+]=[N-])c2Cl)c(N)n1
Show InChI InChI=1S/C16H19ClN8S/c1-16(19)5-7-25(8-6-16)12-9-21-15(14(18)22-12)26-11-4-2-3-10(13(11)17)23-24-20/h2-4,9H,5-8,19H2,1H3,(H2,18,22)
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n/an/a 71n/an/an/an/an/an/a



Cornell University



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

J Med Chem 52: 1388-407 (2009)


BindingDB Entry DOI: 10.7270/Q2N87D37
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM392345
PNG
(US10301278, Example 27a)
Show SMILES C[C@]1(CN)CCN(C[C@H]1O)c1cnc(Sc2cccc(Cl)c2Cl)c(N)n1 |r|
Show InChI InChI=1S/C17H21Cl2N5OS/c1-17(9-20)5-6-24(8-12(17)25)13-7-22-16(15(21)23-13)26-11-4-2-3-10(18)14(11)19/h2-4,7,12,25H,5-6,8-9,20H2,1H3,(H2,21,23)/t12-,17-/m1/s1
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n/an/a 76n/an/an/an/an/an/a



Cornell University



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

J Med Chem 52: 1388-407 (2009)


BindingDB Entry DOI: 10.7270/Q2N87D37
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM392318
PNG
(6-(4-amino-4-methylpiperidin-1-yl)-3-((3-chloropyr...)
Show SMILES CC1(N)CCN(CC1)c1cnc(Sc2ccncc2Cl)c(N)n1
Show InChI InChI=1S/C15H19ClN6S/c1-15(18)3-6-22(7-4-15)12-9-20-14(13(17)21-12)23-11-2-5-19-8-10(11)16/h2,5,8-9H,3-4,6-7,18H2,1H3,(H2,17,21)
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n/an/a 76n/an/an/an/an/an/a



Cornell University



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

J Med Chem 52: 1388-407 (2009)


BindingDB Entry DOI: 10.7270/Q2N87D37
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM392343
PNG
(US10301278, Example 25)
Show SMILES C[C@@]1(N)CCN(C[C@@H]1O)c1cnc(Sc2cccc(Cl)c2Cl)c(N)n1 |r|
Show InChI InChI=1S/C16H19Cl2N5OS/c1-16(20)5-6-23(8-11(16)24)12-7-21-15(14(19)22-12)25-10-4-2-3-9(17)13(10)18/h2-4,7,11,24H,5-6,8,20H2,1H3,(H2,19,22)/t11-,16+/m0/s1
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n/an/a 77n/an/an/an/an/an/a



Cornell University



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

J Med Chem 52: 1388-407 (2009)


BindingDB Entry DOI: 10.7270/Q2N87D37
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM392321
PNG
(6-(4-(aminomethyl)-4-(thiazol-4-yl)piperidin-1-yl)...)
Show SMILES NCC1(CCN(CC1)c1cnc(Sc2cccnc2C(F)(F)F)c(N)n1)c1cscn1
Show InChI InChI=1S/C19H20F3N7S2/c20-19(21,22)15-12(2-1-5-25-15)31-17-16(24)28-14(8-26-17)29-6-3-18(10-23,4-7-29)13-9-30-11-27-13/h1-2,5,8-9,11H,3-4,6-7,10,23H2,(H2,24,28)
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n/an/a 79n/an/an/an/an/an/a



Cornell University



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

J Med Chem 52: 1388-407 (2009)


BindingDB Entry DOI: 10.7270/Q2N87D37
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM392352
PNG
(US10301278, Example 37)
Show SMILES CC1(N)CCN(CC1)c1cnc(Sc2ccnc(c2Cl)C(F)(F)F)c(N)n1
Show InChI InChI=1S/C16H18ClF3N6S/c1-15(22)3-6-26(7-4-15)10-8-24-14(13(21)25-10)27-9-2-5-23-12(11(9)17)16(18,19)20/h2,5,8H,3-4,6-7,22H2,1H3,(H2,21,25)
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n/an/a 82n/an/an/an/an/an/a



Cornell University



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

J Med Chem 52: 1388-407 (2009)


BindingDB Entry DOI: 10.7270/Q2N87D37
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM392311
PNG
(N-(3-((3-amino-5-(4-amino-4-methylpiperidin-1-yl)p...)
Show SMILES CC1(N)CCN(CC1)c1cnc(Sc2cccc(N)c2Cl)c(N)n1
Show InChI InChI=1S/C16H21ClN6S/c1-16(20)5-7-23(8-6-16)12-9-21-15(14(19)22-12)24-11-4-2-3-10(18)13(11)17/h2-4,9H,5-8,18,20H2,1H3,(H2,19,22)
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n/an/a 85n/an/an/an/an/an/a



Cornell University



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

J Med Chem 52: 1388-407 (2009)


BindingDB Entry DOI: 10.7270/Q2N87D37
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM392311
PNG
(N-(3-((3-amino-5-(4-amino-4-methylpiperidin-1-yl)p...)
Show SMILES CC1(N)CCN(CC1)c1cnc(Sc2cccc(N)c2Cl)c(N)n1
Show InChI InChI=1S/C16H21ClN6S/c1-16(20)5-7-23(8-6-16)12-9-21-15(14(19)22-12)24-11-4-2-3-10(18)13(11)17/h2-4,9H,5-8,18,20H2,1H3,(H2,19,22)
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n/an/a 94n/an/an/an/an/an/a



Cornell University



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

J Med Chem 52: 1388-407 (2009)


BindingDB Entry DOI: 10.7270/Q2N87D37
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM392324
PNG
(6-(4-(aminomethyl)-4-methylpiperidin-1-yl)-3-((2,3...)
Show SMILES CC1(CN)CCN(CC1)c1cnc(Sc2ccnc(Cl)c2Cl)c(N)n1
Show InChI InChI=1S/C16H20Cl2N6S/c1-16(9-19)3-6-24(7-4-16)11-8-22-15(14(20)23-11)25-10-2-5-21-13(18)12(10)17/h2,5,8H,3-4,6-7,9,19H2,1H3,(H2,20,23)
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n/an/a 100n/an/an/an/an/an/a



Cornell University



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

J Med Chem 52: 1388-407 (2009)


BindingDB Entry DOI: 10.7270/Q2N87D37
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM392317
PNG
(5-amino-3-(4-(aminomethyl)-4-(pyridin-2-yl)piperid...)
Show SMILES NCC1(CCN(CC1)c1nc(N)c(Sc2cccnc2C(F)(F)F)nc1C(N)=O)c1ccccn1
Show InChI InChI=1S/C22H23F3N8OS/c23-22(24,25)16-13(4-3-9-30-16)35-20-17(27)32-19(15(31-20)18(28)34)33-10-6-21(12-26,7-11-33)14-5-1-2-8-29-14/h1-5,8-9H,6-7,10-12,26H2,(H2,27,32)(H2,28,34)
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n/an/a 102n/an/an/an/an/an/a



Cornell University



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

J Med Chem 52: 1388-407 (2009)


BindingDB Entry DOI: 10.7270/Q2N87D37
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM392351
PNG
(US10301278, Example 35)
Show SMILES CC1(CN)CCN(CC1)c1nc(N)c(Sc2cccnc2C(F)(F)F)nc1C(N)=O
Show InChI InChI=1S/C18H22F3N7OS/c1-17(9-22)4-7-28(8-5-17)15-11(14(24)29)26-16(13(23)27-15)30-10-3-2-6-25-12(10)18(19,20)21/h2-3,6H,4-5,7-9,22H2,1H3,(H2,23,27)(H2,24,29)
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n/an/a 109n/an/an/an/an/an/a



Cornell University



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

J Med Chem 52: 1388-407 (2009)


BindingDB Entry DOI: 10.7270/Q2N87D37
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM392310
PNG
(3-(4-amino-4-methylpiperidin-1-yl)-6-((2,3-dichlor...)
Show SMILES CC1(N)CCN(CC1)c1nnc(Sc2cccc(Cl)c2Cl)c(N)n1
Show InChI InChI=1S/C15H18Cl2N6S/c1-15(19)5-7-23(8-6-15)14-20-12(18)13(21-22-14)24-10-4-2-3-9(16)11(10)17/h2-4H,5-8,19H2,1H3,(H2,18,20,22)
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n/an/a 143n/an/an/an/an/an/a



Cornell University



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

J Med Chem 52: 1388-407 (2009)


BindingDB Entry DOI: 10.7270/Q2N87D37
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM392361
PNG
(US10301278, Example 54)
Show SMILES Nc1nc(cnc1Sc1cccnc1C(F)(F)F)N1CCC(N)(CO)CC1
Show InChI InChI=1S/C16H19F3N6OS/c17-16(18,19)12-10(2-1-5-22-12)27-14-13(20)24-11(8-23-14)25-6-3-15(21,9-26)4-7-25/h1-2,5,8,26H,3-4,6-7,9,21H2,(H2,20,24)
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n/an/a 170n/an/an/an/an/an/a



Cornell University



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

J Med Chem 52: 1388-407 (2009)


BindingDB Entry DOI: 10.7270/Q2N87D37
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM392356
PNG
(US10301278, Example 48)
Show SMILES CC1(CN)CCN(CC1)c1cnc(Sc2ccncc2F)c(N)n1
Show InChI InChI=1S/C16H21FN6S/c1-16(10-18)3-6-23(7-4-16)13-9-21-15(14(19)22-13)24-12-2-5-20-8-11(12)17/h2,5,8-9H,3-4,6-7,10,18H2,1H3,(H2,19,22)
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n/an/a 177n/an/an/an/an/an/a



Cornell University



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

J Med Chem 52: 1388-407 (2009)


BindingDB Entry DOI: 10.7270/Q2N87D37
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM392309
PNG
(N-(3-((3-amino-5-(4-amino-4-methylpiperidin-1-yl)p...)
Show SMILES COc1ccccc1C(=O)Nc1cccc(Sc2ncc(nc2N)N2CCC(C)(N)CC2)c1Cl
Show InChI InChI=1S/C24H27ClN6O2S/c1-24(27)10-12-31(13-11-24)19-14-28-23(21(26)30-19)34-18-9-5-7-16(20(18)25)29-22(32)15-6-3-4-8-17(15)33-2/h3-9,14H,10-13,27H2,1-2H3,(H2,26,30)(H,29,32)
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n/an/a 180n/an/an/an/an/an/a



Cornell University



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

J Med Chem 52: 1388-407 (2009)


BindingDB Entry DOI: 10.7270/Q2N87D37
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM392350
PNG
(US10301278, Example 32)
Show SMILES Nc1cccc(Sc2ncc(nc2N)N2CCC(N)(CO)CC2)c1Cl
Show InChI InChI=1S/C16H21ClN6OS/c17-13-10(18)2-1-3-11(13)25-15-14(19)22-12(8-21-15)23-6-4-16(20,9-24)5-7-23/h1-3,8,24H,4-7,9,18,20H2,(H2,19,22)
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n/an/a 195n/an/an/an/an/an/a



Cornell University



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

J Med Chem 52: 1388-407 (2009)


BindingDB Entry DOI: 10.7270/Q2N87D37
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM392333
PNG
(US10301278, Example 6)
Show SMILES CC1(N)CCN(CC1)c1cnc(Sc2ccc(Cl)cc2Cl)c(N)n1
Show InChI InChI=1S/C16H19Cl2N5S/c1-16(20)4-6-23(7-5-16)13-9-21-15(14(19)22-13)24-12-3-2-10(17)8-11(12)18/h2-3,8-9H,4-7,20H2,1H3,(H2,19,22)
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n/an/a 210n/an/an/an/an/an/a



Cornell University



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

J Med Chem 52: 1388-407 (2009)


BindingDB Entry DOI: 10.7270/Q2N87D37
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM392336
PNG
(US10301278, Example 13)
Show SMILES CC1(N)CCN(CC1)c1cnc(Sc2cccc(NC(=O)c3ccc4ccccc4c3)c2Cl)c(N)n1
Show InChI InChI=1S/C27H27ClN6OS/c1-27(30)11-13-34(14-12-27)22-16-31-26(24(29)33-22)36-21-8-4-7-20(23(21)28)32-25(35)19-10-9-17-5-2-3-6-18(17)15-19/h2-10,15-16H,11-14,30H2,1H3,(H2,29,33)(H,32,35)
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n/an/a 257n/an/an/an/an/an/a



Cornell University



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

J Med Chem 52: 1388-407 (2009)


BindingDB Entry DOI: 10.7270/Q2N87D37
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM392337
PNG
(US10301278, Example 15)
Show SMILES CC1(N)CCN(CC1)c1nnc(Sc2ccccc2Cl)c(N)n1
Show InChI InChI=1S/C15H19ClN6S/c1-15(18)6-8-22(9-7-15)14-19-12(17)13(20-21-14)23-11-5-3-2-4-10(11)16/h2-5H,6-9,18H2,1H3,(H2,17,19,21)
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n/an/a 266n/an/an/an/an/an/a



Cornell University



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

J Med Chem 52: 1388-407 (2009)


BindingDB Entry DOI: 10.7270/Q2N87D37
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM392325
PNG
(3-((3-amino-2-chlorophenyl)thio)-6-(4-(aminomethyl...)
Show SMILES NCC1(F)CCN(CC1)c1cnc(Sc2cccc(N)c2Cl)c(N)n1
Show InChI InChI=1S/C16H20ClFN6S/c17-13-10(20)2-1-3-11(13)25-15-14(21)23-12(8-22-15)24-6-4-16(18,9-19)5-7-24/h1-3,8H,4-7,9,19-20H2,(H2,21,23)
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n/an/a 271n/an/an/an/an/an/a



Cornell University



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

J Med Chem 52: 1388-407 (2009)


BindingDB Entry DOI: 10.7270/Q2N87D37
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM392071
PNG
(3-((3-amino-5-(4-amino-4-methylpiperidin-1-yl)pyra...)
Show SMILES CC1(N)CCN(CC1)c1cnc(Sc2cc(O)ccc2Cl)c(N)n1
Show InChI InChI=1S/C16H20ClN5OS/c1-16(19)4-6-22(7-5-16)13-9-20-15(14(18)21-13)24-12-8-10(23)2-3-11(12)17/h2-3,8-9,23H,4-7,19H2,1H3,(H2,18,21)
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n/an/a 307n/an/an/an/an/an/a



Cornell University



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

J Med Chem 52: 1388-407 (2009)


BindingDB Entry DOI: 10.7270/Q2N87D37
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM392360
PNG
(US10301278, Example 53)
Show SMILES Nc1nccc(Sc2ncc(nc2N)N2CCC(N)(CO)CC2)c1Cl
Show InChI InChI=1S/C15H20ClN7OS/c16-11-9(1-4-20-12(11)17)25-14-13(18)22-10(7-21-14)23-5-2-15(19,8-24)3-6-23/h1,4,7,24H,2-3,5-6,8,19H2,(H2,17,20)(H2,18,22)
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n/an/a 315n/an/an/an/an/an/a



Cornell University



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

J Med Chem 52: 1388-407 (2009)


BindingDB Entry DOI: 10.7270/Q2N87D37
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM392353
PNG
(US10301278, Example 45)
Show SMILES CC1(CN)CCN(CC1)c1cnc(Sc2cccnc2C(F)(F)F)c(N)c1
Show InChI InChI=1S/C18H22F3N5S/c1-17(11-22)4-7-26(8-5-17)12-9-13(23)16(25-10-12)27-14-3-2-6-24-15(14)18(19,20)21/h2-3,6,9-10H,4-5,7-8,11,22-23H2,1H3
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n/an/a 351n/an/an/an/an/an/a



Cornell University



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

J Med Chem 52: 1388-407 (2009)


BindingDB Entry DOI: 10.7270/Q2N87D37
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM392346
PNG
(US10301278, Example 27b)
Show SMILES C[C@@]1(CN)CCN(C[C@@H]1O)c1cnc(Sc2cccc(Cl)c2Cl)c(N)n1 |r|
Show InChI InChI=1S/C17H21Cl2N5OS/c1-17(9-20)5-6-24(8-12(17)25)13-7-22-16(15(21)23-13)26-11-4-2-3-10(18)14(11)19/h2-4,7,12,25H,5-6,8-9,20H2,1H3,(H2,21,23)/t12-,17-/m0/s1
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n/an/a 377n/an/an/an/an/an/a



Cornell University



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

J Med Chem 52: 1388-407 (2009)


BindingDB Entry DOI: 10.7270/Q2N87D37
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM392355
PNG
(US10301278, Example 47)
Show SMILES NCC1(O)CCN(CC1)c1cnc(Sc2cccc(N)c2Cl)c(N)n1
Show InChI InChI=1S/C16H21ClN6OS/c17-13-10(19)2-1-3-11(13)25-15-14(20)22-12(8-21-15)23-6-4-16(24,9-18)5-7-23/h1-3,8,24H,4-7,9,18-19H2,(H2,20,22)
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n/an/a 382n/an/an/an/an/an/a



Cornell University



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

J Med Chem 52: 1388-407 (2009)


BindingDB Entry DOI: 10.7270/Q2N87D37
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM392354
PNG
(US10301278, Example 46)
Show SMILES NCC1CCCN(C1)c1cnc(Sc2cccnc2C(F)(F)F)c(N)n1
Show InChI InChI=1S/C16H19F3N6S/c17-16(18,19)13-11(4-1-5-22-13)26-15-14(21)24-12(8-23-15)25-6-2-3-10(7-20)9-25/h1,4-5,8,10H,2-3,6-7,9,20H2,(H2,21,24)
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n/an/a 459n/an/an/an/an/an/a



Cornell University



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

J Med Chem 52: 1388-407 (2009)


BindingDB Entry DOI: 10.7270/Q2N87D37
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM392327
PNG
(6-(4-amino-4-phenylpiperidin-1-yl)-3-((2-(trifluor...)
Show SMILES Nc1nc(cnc1Sc1cccnc1C(F)(F)F)N1CCC(N)(CC1)c1ccccc1
Show InChI InChI=1S/C21H21F3N6S/c22-21(23,24)17-15(7-4-10-27-17)31-19-18(25)29-16(13-28-19)30-11-8-20(26,9-12-30)14-5-2-1-3-6-14/h1-7,10,13H,8-9,11-12,26H2,(H2,25,29)
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n/an/a 542n/an/an/an/an/an/a



Cornell University



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

J Med Chem 52: 1388-407 (2009)


BindingDB Entry DOI: 10.7270/Q2N87D37
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM392348
PNG
(US10301278, Example 31a)
Show SMILES C[C@]1(CN)CCN(C[C@@H]1O)c1cnc(Sc2cccnc2C(F)(F)F)c(N)n1 |r|
Show InChI InChI=1S/C17H21F3N6OS/c1-16(9-21)4-6-26(8-11(16)27)12-7-24-15(14(22)25-12)28-10-3-2-5-23-13(10)17(18,19)20/h2-3,5,7,11,27H,4,6,8-9,21H2,1H3,(H2,22,25)/t11-,16+/m0/s1
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n/an/a 781n/an/an/an/an/an/a



Cornell University



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

J Med Chem 52: 1388-407 (2009)


BindingDB Entry DOI: 10.7270/Q2N87D37
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM392332
PNG
(US10301278, Example 5)
Show SMILES CC1(N)CCN(CC1)c1cnc(Sc2cc(Cl)ccc2Cl)c(N)n1
Show InChI InChI=1S/C16H19Cl2N5S/c1-16(20)4-6-23(7-5-16)13-9-21-15(14(19)22-13)24-12-8-10(17)2-3-11(12)18/h2-3,8-9H,4-7,20H2,1H3,(H2,19,22)
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n/an/a 1.08E+3n/an/an/an/an/an/a



Cornell University



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

J Med Chem 52: 1388-407 (2009)


BindingDB Entry DOI: 10.7270/Q2N87D37
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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n/an/a 5.70E+3n/an/an/an/an/an/a



Cornell University



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

J Med Chem 52: 1388-407 (2009)


BindingDB Entry DOI: 10.7270/Q2N87D37
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM392334
PNG
(US10301278, Example 7)
Show SMILES COc1ccc(Cl)c(Sc2ncc(nc2N)N2CCC(C)(N)CC2)c1
Show InChI InChI=1S/C17H22ClN5OS/c1-17(20)5-7-23(8-6-17)14-10-21-16(15(19)22-14)25-13-9-11(24-2)3-4-12(13)18/h3-4,9-10H,5-8,20H2,1-2H3,(H2,19,22)
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n/an/a 1.37E+4n/an/an/an/an/an/a



Cornell University



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

J Med Chem 52: 1388-407 (2009)


BindingDB Entry DOI: 10.7270/Q2N87D37
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM392335
PNG
(US10301278, Example 8)
Show SMILES CC1(N)CCN(CC1)c1cnc(Oc2cccc(Cl)c2Cl)c(N)n1
Show InChI InChI=1S/C16H19Cl2N5O/c1-16(20)5-7-23(8-6-16)12-9-21-15(14(19)22-12)24-11-4-2-3-10(17)13(11)18/h2-4,9H,5-8,20H2,1H3,(H2,19,22)
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n/an/a 6.44E+4n/an/an/an/an/an/a



Cornell University



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

J Med Chem 52: 1388-407 (2009)


BindingDB Entry DOI: 10.7270/Q2N87D37
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%