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Compile Data Set for Download or QSAR

Found 1649 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein phosphatase non-receptor type 11'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM50112356
PNG
(CHEMBL3609373)
Show SMILES OS(=O)(=O)C(C(=O)Nc1ccc(NC(=O)C(=O)Nc2ccc(I)cc2)cc1)c1ccccc1
Show InChI InChI=1S/C22H18IN3O6S/c23-15-6-8-16(9-7-15)25-21(28)22(29)26-18-12-10-17(11-13-18)24-20(27)19(33(30,31)32)14-4-2-1-3-5-14/h1-13,19H,(H,24,27)(H,25,28)(H,26,29)(H,30,31,32)
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510n/an/an/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Competitive inhibition of phosphatase activity of SHP2 (unknown origin) using pNPP as a substrate Lineweaver-Burk plot analysis


ACS Med Chem Lett 6: 782-6 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00118
BindingDB Entry DOI: 10.7270/Q2251M0S
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM50342004
PNG
(4-(2-(3-(4-nitrophenyl)-5-oxo-1-phenyl-1H-pyrazol-...)
Show SMILES OS(=O)(=O)c1ccc(cc1)N=Nc1c([nH]n(-c2ccccc2)c1=O)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C21H15N5O6S/c27-21-20(23-22-15-8-12-18(13-9-15)33(30,31)32)19(14-6-10-17(11-7-14)26(28)29)24-25(21)16-4-2-1-3-5-16/h1-13,24H,(H,30,31,32)
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700n/an/an/an/an/an/an/an/a



Max Planck Institute of Molecular Physiology

Curated by ChEMBL


Assay Description
Inhibition of SHP-2


Bioorg Med Chem 19: 2145-55 (2011)


Article DOI: 10.1016/j.bmc.2011.02.047
BindingDB Entry DOI: 10.7270/Q2BR8SHK
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM199180
PNG
(US9217012, 10)
Show SMILES CCc1ccc(cc1)C(=O)NCCCCC(NC(=O)C(Cc1ccc(cc1)C(F)(F)P(O)(O)=O)NC(=O)C(Cc1ccccc1)NC(=O)COC1CC(C)CCC1C(C)C)C(N)=O
Show InChI InChI=1S/C46H62F2N5O9P/c1-5-31-15-19-34(20-16-31)43(56)50-24-10-9-13-37(42(49)55)52-45(58)39(27-33-17-21-35(22-18-33)46(47,48)63(59,60)61)53-44(57)38(26-32-11-7-6-8-12-32)51-41(54)28-62-40-25-30(4)14-23-36(40)29(2)3/h6-8,11-12,15-22,29-30,36-40H,5,9-10,13-14,23-28H2,1-4H3,(H2,49,55)(H,50,56)(H,51,54)(H,52,58)(H,53,57)(H2,59,60,61)
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US Patent
>1.00E+3>-34.2n/an/an/an/an/a7.025



Indiana University Research and Technology Corporation

US Patent


Assay Description
PTP activity was assayed using p-nitrophenyl phosphate (pNPP) as a substrate in DMG buffer (50 mM DMG, pH 7.0, 1 mM EDTA, 150 mM NaCl, 2 mM DTT, 0.1 ...


US Patent US9217012 (2015)


BindingDB Entry DOI: 10.7270/Q2FX788H
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM50348092
PNG
(CHEMBL1800273)
Show SMILES Cc1cc(c(cc1-n1[nH]c(cc1=O)C(O)=O)S(O)(=O)=O)S(O)(=O)=O
Show InChI InChI=1S/C11H10N2O9S2/c1-5-2-8(23(17,18)19)9(24(20,21)22)4-7(5)13-10(14)3-6(12-13)11(15)16/h2-4,12H,1H3,(H,15,16)(H,17,18,19)(H,20,21,22)
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4.60E+3n/an/an/an/an/an/an/an/a



Indiana University

Curated by ChEMBL


Assay Description
Reversible inhibition at SHP2 catalytic domain assessed as inhibition of pNPP to p-nitrophenol conversion by spectrophotometry


Bioorg Med Chem Lett 21: 4238-42 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.078
BindingDB Entry DOI: 10.7270/Q2JQ11CJ
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM50348092
PNG
(CHEMBL1800273)
Show SMILES Cc1cc(c(cc1-n1[nH]c(cc1=O)C(O)=O)S(O)(=O)=O)S(O)(=O)=O
Show InChI InChI=1S/C11H10N2O9S2/c1-5-2-8(23(17,18)19)9(24(20,21)22)4-7(5)13-10(14)3-6(12-13)11(15)16/h2-4,12H,1H3,(H,15,16)(H,17,18,19)(H,20,21,22)
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4.60E+3n/an/an/an/an/an/an/an/a



Indiana University

Curated by ChEMBL


Assay Description
Competitive inhibition at SHP2 catalytic domain assessed as inhibition of pNPP to p-nitrophenol conversion by spectrophotometry


Bioorg Med Chem Lett 21: 4238-42 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.078
BindingDB Entry DOI: 10.7270/Q2JQ11CJ
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM50308158
PNG
(3-(1-(3-(Biphenyl-4-ylamino)-3-oxopropyl)-1H-1,2,3...)
Show SMILES Cn1c(c(-c2cn(CCC(=O)Nc3ccc(cc3)-c3ccccc3)nn2)c2cc(C(O)=O)c(O)cc12)-c1ccccc1
Show InChI InChI=1S/C33H27N5O4/c1-37-28-19-29(39)26(33(41)42)18-25(28)31(32(37)23-10-6-3-7-11-23)27-20-38(36-35-27)17-16-30(40)34-24-14-12-22(13-15-24)21-8-4-2-5-9-21/h2-15,18-20,39H,16-17H2,1H3,(H,34,40)(H,41,42)
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Article
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5.20E+3n/an/an/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of SHP2 Src homology-2 domain expressed in Escherichia coli BL21 (DE3) assessed as inhibition of p-nitrophenyl phosphate hydrolysis by Lin...


J Med Chem 53: 2482-93 (2010)


Article DOI: 10.1021/jm901645u
BindingDB Entry DOI: 10.7270/Q2639PVD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM50420258
PNG
(CEFSULODIN)
Show SMILES NC(=O)c1cc[n+](CC2=C(N3[C@H](SC2)[C@H](NC(=O)C(c2ccccc2)S(O)(=O)=O)C3=O)C(O)=O)cc1
Show InChI InChI=1S/C22H20N4O8S2/c23-18(27)13-6-8-25(9-7-13)10-14-11-35-21-15(20(29)26(21)16(14)22(30)31)24-19(28)17(36(32,33)34)12-4-2-1-3-5-12/h1-9,15,17,21H,10-11H2,(H4-,23,24,27,28,30,31,32,33,34)/p+1/t15-,17?,21-/m1/s1
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6.60E+3n/an/an/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Competitive inhibition of phosphatase activity of SHP2 (unknown origin) using pNPP as a substrate Lineweaver-Burk plot analysis


ACS Med Chem Lett 6: 782-6 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00118
BindingDB Entry DOI: 10.7270/Q2251M0S
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM24516
PNG
((2E,5E)-5-[(4-methoxyphenyl)methylidene]-2-(1,3-th...)
Show SMILES COc1ccc(\C=C2\S\C(NC2=O)=N\c2nccs2)cc1
Show InChI InChI=1S/C14H11N3O2S2/c1-19-10-4-2-9(3-5-10)8-11-12(18)16-14(21-11)17-13-15-6-7-20-13/h2-8H,1H3,(H,15,16,17,18)/b11-8+
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1.17E+4 -28.1n/an/an/an/an/a7.025



Aristotle University



Assay Description
SHP-2 inhibitory activity was tested using human recombinant GST-fusion SHP-2 (Calbiochem). Test compound was preincubated with enzyme mixture before...


J Med Chem 51: 5221-8 (2008)


Article DOI: 10.1021/jm8004306
BindingDB Entry DOI: 10.7270/Q2251GGD
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM24524
PNG
((2E,5E)-2-(1,3-benzothiazol-2-ylimino)-5-[(4-metho...)
Show SMILES COc1ccc(\C=C2\S\C(NC2=O)=N\c2nc3ccccc3s2)cc1
Show InChI InChI=1S/C18H13N3O2S2/c1-23-12-8-6-11(7-9-12)10-15-16(22)20-18(25-15)21-17-19-13-4-2-3-5-14(13)24-17/h2-10H,1H3,(H,19,20,21,22)/b15-10+
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1.17E+4 -28.1n/an/an/an/an/a7.025



Aristotle University



Assay Description
SHP-2 inhibitory activity was tested using human recombinant GST-fusion SHP-2 (Calbiochem). Test compound was preincubated with enzyme mixture before...


J Med Chem 51: 5221-8 (2008)


Article DOI: 10.1021/jm8004306
BindingDB Entry DOI: 10.7270/Q2251GGD
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM24523
PNG
((2E,5E)-2-{[4-(adamantan-1-yl)-1,3-thiazol-2-yl]im...)
Show SMILES COc1cc(\C=C2\S\C(NC2=O)=N\c2nc(cs2)C23CC4CC(CC(C4)C2)C3)ccc1O
Show InChI InChI=1S/C24H25N3O3S2/c1-30-18-7-13(2-3-17(18)28)8-19-21(29)26-23(32-19)27-22-25-20(12-31-22)24-9-14-4-15(10-24)6-16(5-14)11-24/h2-3,7-8,12,14-16,28H,4-6,9-11H2,1H3,(H,25,26,27,29)/b19-8+
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1.23E+4 -28.0n/an/an/an/an/a7.025



Aristotle University



Assay Description
SHP-2 inhibitory activity was tested using human recombinant GST-fusion SHP-2 (Calbiochem). Test compound was preincubated with enzyme mixture before...


J Med Chem 51: 5221-8 (2008)


Article DOI: 10.1021/jm8004306
BindingDB Entry DOI: 10.7270/Q2251GGD
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM24526
PNG
((2E,5E)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylid...)
Show SMILES COc1cc(\C=C2\S\C(NC2=O)=N\c2nc3ccc(cc3s2)[N+]([O-])=O)cc(OC)c1O
Show InChI InChI=1S/C19H14N4O6S2/c1-28-12-5-9(6-13(29-2)16(12)24)7-15-17(25)21-19(31-15)22-18-20-11-4-3-10(23(26)27)8-14(11)30-18/h3-8,24H,1-2H3,(H,20,21,22,25)/b15-7+
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1.29E+4 -27.9n/an/an/an/an/a7.025



Aristotle University



Assay Description
SHP-2 inhibitory activity was tested using human recombinant GST-fusion SHP-2 (Calbiochem). Test compound was preincubated with enzyme mixture before...


J Med Chem 51: 5221-8 (2008)


Article DOI: 10.1021/jm8004306
BindingDB Entry DOI: 10.7270/Q2251GGD
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM24527
PNG
((2E,5E)-2-(1,3-benzothiazol-2-ylimino)-5-[(4-nitro...)
Show SMILES [O-][N+](=O)c1ccc(\C=C2\S\C(NC2=O)=N\c2nc3ccccc3s2)cc1
Show InChI InChI=1S/C17H10N4O3S2/c22-15-14(9-10-5-7-11(8-6-10)21(23)24)26-17(19-15)20-16-18-12-3-1-2-4-13(12)25-16/h1-9H,(H,18,19,20,22)/b14-9+
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1.62E+4 -27.3n/an/an/an/an/a7.025



Aristotle University



Assay Description
SHP-2 inhibitory activity was tested using human recombinant GST-fusion SHP-2 (Calbiochem). Test compound was preincubated with enzyme mixture before...


J Med Chem 51: 5221-8 (2008)


Article DOI: 10.1021/jm8004306
BindingDB Entry DOI: 10.7270/Q2251GGD
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM24525
PNG
((2E,5E)-2-(1,3-benzothiazol-2-ylimino)-5-[(4-hydro...)
Show SMILES COc1cc(\C=C2\S\C(NC2=O)=N\c2nc3ccccc3s2)cc(OC)c1O
Show InChI InChI=1S/C19H15N3O4S2/c1-25-12-7-10(8-13(26-2)16(12)23)9-15-17(24)21-19(28-15)22-18-20-11-5-3-4-6-14(11)27-18/h3-9,23H,1-2H3,(H,20,21,22,24)/b15-9+
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1.81E+4 -27.1n/an/an/an/an/a7.025



Aristotle University



Assay Description
SHP-2 inhibitory activity was tested using human recombinant GST-fusion SHP-2 (Calbiochem). Test compound was preincubated with enzyme mixture before...


J Med Chem 51: 5221-8 (2008)


Article DOI: 10.1021/jm8004306
BindingDB Entry DOI: 10.7270/Q2251GGD
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM24529
PNG
((2Z,5E)-2-(1,2-benzothiazol-3-ylimino)-5-[(4-metho...)
Show SMILES COc1ccc(\C=C2\S\C(NC2=O)=N/c2nsc3ccccc23)cc1
Show InChI InChI=1S/C18H13N3O2S2/c1-23-12-8-6-11(7-9-12)10-15-17(22)20-18(24-15)19-16-13-4-2-3-5-14(13)25-21-16/h2-10H,1H3,(H,19,20,21,22)/b15-10+
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2.28E+4 -26.5n/an/an/an/an/a7.025



Aristotle University



Assay Description
SHP-2 inhibitory activity was tested using human recombinant GST-fusion SHP-2 (Calbiochem). Test compound was preincubated with enzyme mixture before...


J Med Chem 51: 5221-8 (2008)


Article DOI: 10.1021/jm8004306
BindingDB Entry DOI: 10.7270/Q2251GGD
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM24515
PNG
((2E,5E)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]...)
Show SMILES COc1cc(\C=C2\S\C(NC2=O)=N\c2nccs2)ccc1O
Show InChI InChI=1S/C14H11N3O3S2/c1-20-10-6-8(2-3-9(10)18)7-11-12(19)16-14(22-11)17-13-15-4-5-21-13/h2-7,18H,1H3,(H,15,16,17,19)/b11-7+
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2.56E+4 -26.2n/an/an/an/an/a7.025



Aristotle University



Assay Description
SHP-2 inhibitory activity was tested using human recombinant GST-fusion SHP-2 (Calbiochem). Test compound was preincubated with enzyme mixture before...


J Med Chem 51: 5221-8 (2008)


Article DOI: 10.1021/jm8004306
BindingDB Entry DOI: 10.7270/Q2251GGD
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM24528
PNG
((2E,5E)-2-(1,3-benzothiazol-2-ylimino)-5-[(3-nitro...)
Show SMILES [O-][N+](=O)c1cccc(\C=C2\S\C(NC2=O)=N\c2nc3ccccc3s2)c1
Show InChI InChI=1S/C17H10N4O3S2/c22-15-14(9-10-4-3-5-11(8-10)21(23)24)26-17(19-15)20-16-18-12-6-1-2-7-13(12)25-16/h1-9H,(H,18,19,20,22)/b14-9+
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2.87E+4 -25.9n/an/an/an/an/a7.025



Aristotle University



Assay Description
SHP-2 inhibitory activity was tested using human recombinant GST-fusion SHP-2 (Calbiochem). Test compound was preincubated with enzyme mixture before...


J Med Chem 51: 5221-8 (2008)


Article DOI: 10.1021/jm8004306
BindingDB Entry DOI: 10.7270/Q2251GGD
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM50132465
PNG
(5-{(S)-2-((S)-2-tert-Butoxycarbonylamino-3-phenyl-...)
Show SMILES COC(=O)c1c(O)cccc1OCCCCNC(=O)[C@H](Cc1ccc(OC(C)C(O)=O)c(c1)C(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C39H47N3O13/c1-23(35(46)47)54-30-17-16-25(20-26(30)36(48)49)22-27(33(44)40-18-9-10-19-53-31-15-11-14-29(43)32(31)37(50)52-5)41-34(45)28(21-24-12-7-6-8-13-24)42-38(51)55-39(2,3)4/h6-8,11-17,20,23,27-28,43H,9-10,18-19,21-22H2,1-5H3,(H,40,44)(H,41,45)(H,42,51)(H,46,47)(H,48,49)/t23?,27-,28-/m0/s1
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>3.00E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory potency of the compound against Tyrosine phosphatase SHP2


Bioorg Med Chem Lett 13: 3129-32 (2003)


Article DOI: 10.1016/s0960-894x(03)00725-x
BindingDB Entry DOI: 10.7270/Q24B30QV
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM50132461
PNG
(2-(4-{2-tert-Butoxycarbonylamino-2-[4-(3-hydroxy-2...)
Show SMILES COC(=O)c1c(O)cccc1OCCCCNC(=O)C(Cc1ccc(OC(C(O)=O)C(O)=O)cc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C29H36N2O12/c1-29(2,3)43-28(39)31-19(16-17-10-12-18(13-11-17)42-23(25(34)35)26(36)37)24(33)30-14-5-6-15-41-21-9-7-8-20(32)22(21)27(38)40-4/h7-13,19,23,32H,5-6,14-16H2,1-4H3,(H,30,33)(H,31,39)(H,34,35)(H,36,37)
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>3.00E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory potency of the compound against Tyrosine phosphatase SHP2


Bioorg Med Chem Lett 13: 3129-32 (2003)


Article DOI: 10.1016/s0960-894x(03)00725-x
BindingDB Entry DOI: 10.7270/Q24B30QV
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM50132460
PNG
(2-[4-((S)-2-tert-Butoxycarbonylamino-3-{4-[(2-carb...)
Show SMILES CCC(CN(C(=O)C(O)=O)c1ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCCCOc2cccc(O)c2C(=O)OC)cc1)C(O)=O
Show InChI InChI=1S/C33H43N3O12/c1-6-21(29(40)41)19-36(28(39)30(42)43)22-14-12-20(13-15-22)18-23(35-32(45)48-33(2,3)4)27(38)34-16-7-8-17-47-25-11-9-10-24(37)26(25)31(44)46-5/h9-15,21,23,37H,6-8,16-19H2,1-5H3,(H,34,38)(H,35,45)(H,40,41)(H,42,43)/t21?,23-/m0/s1
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>3.00E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory potency of the compound against Tyrosine phosphatase SHP2


Bioorg Med Chem Lett 13: 3129-32 (2003)


Article DOI: 10.1016/s0960-894x(03)00725-x
BindingDB Entry DOI: 10.7270/Q24B30QV
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM24521
PNG
((2E,5E)-5-[(2-chlorophenyl)methylidene]-2-(1,3-thi...)
Show SMILES Clc1ccccc1\C=C1\S\C(NC1=O)=N\c1nccs1
Show InChI InChI=1S/C13H8ClN3OS2/c14-9-4-2-1-3-8(9)7-10-11(18)16-13(20-10)17-12-15-5-6-19-12/h1-7H,(H,15,16,17,18)/b10-7+
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3.23E+4 -25.6n/an/an/an/an/a7.025



Aristotle University



Assay Description
SHP-2 inhibitory activity was tested using human recombinant GST-fusion SHP-2 (Calbiochem). Test compound was preincubated with enzyme mixture before...


J Med Chem 51: 5221-8 (2008)


Article DOI: 10.1021/jm8004306
BindingDB Entry DOI: 10.7270/Q2251GGD
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM24519
PNG
((2E,5E)-5-[(4-chlorophenyl)methylidene]-2-(1,3-thi...)
Show SMILES Clc1ccc(\C=C2\S\C(NC2=O)=N\c2nccs2)cc1
Show InChI InChI=1S/C13H8ClN3OS2/c14-9-3-1-8(2-4-9)7-10-11(18)16-13(20-10)17-12-15-5-6-19-12/h1-7H,(H,15,16,17,18)/b10-7+
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5.45E+4 -24.3n/an/an/an/an/a7.025



Aristotle University



Assay Description
SHP-2 inhibitory activity was tested using human recombinant GST-fusion SHP-2 (Calbiochem). Test compound was preincubated with enzyme mixture before...


J Med Chem 51: 5221-8 (2008)


Article DOI: 10.1021/jm8004306
BindingDB Entry DOI: 10.7270/Q2251GGD
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM24530
PNG
((2Z,5E)-2-(1,2-benzothiazol-3-ylimino)-5-[(4-hydro...)
Show SMILES COc1cc(\C=C2\S\C(NC2=O)=N/c2nsc3ccccc23)ccc1O
Show InChI InChI=1S/C18H13N3O3S2/c1-24-13-8-10(6-7-12(13)22)9-15-17(23)20-18(25-15)19-16-11-4-2-3-5-14(11)26-21-16/h2-9,22H,1H3,(H,19,20,21,23)/b15-9+
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9.08E+4 -23.1n/an/an/an/an/a7.025



Aristotle University



Assay Description
SHP-2 inhibitory activity was tested using human recombinant GST-fusion SHP-2 (Calbiochem). Test compound was preincubated with enzyme mixture before...


J Med Chem 51: 5221-8 (2008)


Article DOI: 10.1021/jm8004306
BindingDB Entry DOI: 10.7270/Q2251GGD
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM24522
PNG
((2E,5E)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]...)
Show SMILES COc1cc(\C=C2\S\C(NC2=O)=N\c2nc(cs2)-c2ccccc2)ccc1O
Show InChI InChI=1S/C20H15N3O3S2/c1-26-16-9-12(7-8-15(16)24)10-17-18(25)22-20(28-17)23-19-21-14(11-27-19)13-5-3-2-4-6-13/h2-11,24H,1H3,(H,21,22,23,25)/b17-10+
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1.03E+5 -22.8n/an/an/an/an/a7.025



Aristotle University



Assay Description
SHP-2 inhibitory activity was tested using human recombinant GST-fusion SHP-2 (Calbiochem). Test compound was preincubated with enzyme mixture before...


J Med Chem 51: 5221-8 (2008)


Article DOI: 10.1021/jm8004306
BindingDB Entry DOI: 10.7270/Q2251GGD
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM24513
PNG
((2E,5E)-5-[(4-hydroxyphenyl)methylidene]-2-(1,3-th...)
Show SMILES Oc1ccc(\C=C2\S\C(NC2=O)=N\c2nccs2)cc1
Show InChI InChI=1S/C13H9N3O2S2/c17-9-3-1-8(2-4-9)7-10-11(18)15-13(20-10)16-12-14-5-6-19-12/h1-7,17H,(H,14,15,16,18)/b10-7+
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3.88E+5 -19.5n/an/an/an/an/a7.025



Aristotle University



Assay Description
SHP-2 inhibitory activity was tested using human recombinant GST-fusion SHP-2 (Calbiochem). Test compound was preincubated with enzyme mixture before...


J Med Chem 51: 5221-8 (2008)


Article DOI: 10.1021/jm8004306
BindingDB Entry DOI: 10.7270/Q2251GGD
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM24517
PNG
((2E,5E)-5-[(4-nitrophenyl)methylidene]-2-(1,3-thia...)
Show SMILES [O-][N+](=O)c1ccc(\C=C2\S\C(NC2=O)=N\c2nccs2)cc1
Show InChI InChI=1S/C13H8N4O3S2/c18-11-10(7-8-1-3-9(4-2-8)17(19)20)22-13(15-11)16-12-14-5-6-21-12/h1-7H,(H,14,15,16,18)/b10-7+
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4.74E+5 -19.0n/an/an/an/an/a7.025



Aristotle University



Assay Description
SHP-2 inhibitory activity was tested using human recombinant GST-fusion SHP-2 (Calbiochem). Test compound was preincubated with enzyme mixture before...


J Med Chem 51: 5221-8 (2008)


Article DOI: 10.1021/jm8004306
BindingDB Entry DOI: 10.7270/Q2251GGD
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM24518
PNG
((2E,5E)-5-[(3-nitrophenyl)methylidene]-2-(1,3-thia...)
Show SMILES [O-][N+](=O)c1cccc(\C=C2\S\C(NC2=O)=N\c2nccs2)c1
Show InChI InChI=1S/C13H8N4O3S2/c18-11-10(7-8-2-1-3-9(6-8)17(19)20)22-13(15-11)16-12-14-4-5-21-12/h1-7H,(H,14,15,16,18)/b10-7+
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5.48E+5 -18.6n/an/an/an/an/a7.025



Aristotle University



Assay Description
SHP-2 inhibitory activity was tested using human recombinant GST-fusion SHP-2 (Calbiochem). Test compound was preincubated with enzyme mixture before...


J Med Chem 51: 5221-8 (2008)


Article DOI: 10.1021/jm8004306
BindingDB Entry DOI: 10.7270/Q2251GGD
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM24520
PNG
((2E,5E)-5-[(3-chlorophenyl)methylidene]-2-(1,3-thi...)
Show SMILES Clc1cccc(\C=C2\S\C(NC2=O)=N\c2nccs2)c1
Show InChI InChI=1S/C13H8ClN3OS2/c14-9-3-1-2-8(6-9)7-10-11(18)16-13(20-10)17-12-15-4-5-19-12/h1-7H,(H,15,16,17,18)/b10-7+
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1.09E+6 -16.9n/an/an/an/an/a7.025



Aristotle University



Assay Description
SHP-2 inhibitory activity was tested using human recombinant GST-fusion SHP-2 (Calbiochem). Test compound was preincubated with enzyme mixture before...


J Med Chem 51: 5221-8 (2008)


Article DOI: 10.1021/jm8004306
BindingDB Entry DOI: 10.7270/Q2251GGD
More data for this
Ligand-Target Pair
PTPN11-E76K


(Homo sapiens (Human))
BDBM384120
PNG
(1-(3-(2,3- Dichlorophenyl)-1H- pyrazolo[3,4-b]- py...)
Show SMILES CNC1(C)CCN(CC1)c1cnc2c(n[nH]c2n1)-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C18H20Cl2N6/c1-18(21-2)6-8-26(9-7-18)13-10-22-16-15(24-25-17(16)23-13)11-4-3-5-12(19)14(11)20/h3-5,10,21H,6-9H2,1-2H3,(H,23,24,25)
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n/an/a 2n/an/an/an/an/an/a



The University of Texas System

US Patent


Assay Description
Recombinant full-length wild-type and E76K mutant human PTPN11 proteins were cloned, expressed (E. coli system), and isolated via a two-step purifica...


US Patent US10280171 (2019)


BindingDB Entry DOI: 10.7270/Q2TH8Q0Z
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM479328
PNG
((3-((3S,4S)-4-amino-3-methyl-2-oxa-8- azaspiro[4.5...)
Show SMILES C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3ccnc4N5CC6(CC6)CC5COc34)nc2CO)[C@@H]1N
Show InChI InChI=1S/C26H34N6O3S/c1-16-22(27)26(15-35-16)5-8-31(9-6-26)23-18(12-33)30-20(11-29-23)36-19-2-7-28-24-21(19)34-13-17-10-25(3-4-25)14-32(17)24/h2,7,11,16-17,22,33H,3-6,8-10,12-15,27H2,1H3/t16-,17?,22+/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Nikang Therapeutics, Inc.

US Patent


Assay Description
SHP2 possesses two N-terminal Src homology 2 (SH2) domains, a central protein-tyrosine phosphatase (PTP) domain, and C-terminal tail. At the basal st...


US Patent US10894797 (2021)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (PTPN11)(E76K)


(Homo sapiens (Human))
BDBM384120
PNG
(1-(3-(2,3- Dichlorophenyl)-1H- pyrazolo[3,4-b]- py...)
Show SMILES CNC1(C)CCN(CC1)c1cnc2c(n[nH]c2n1)-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C18H20Cl2N6/c1-18(21-2)6-8-26(9-7-18)13-10-22-16-15(24-25-17(16)23-13)11-4-3-5-12(19)14(11)20/h3-5,10,21H,6-9H2,1-2H3,(H,23,24,25)
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n/an/a 2n/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent


Assay Description
Recombinant full-length wild-type and E76K mutant human PTPN11 proteins were cloned, expressed (E. coli system), and isolated via a two-step purifica...


US Patent US10851110 (2020)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM479344
PNG
((3-((3S,4)S-4-amino-3-methyl-2-oxa-8- azaspiro[4.5...)
Show SMILES C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3ccnc4N5C[C@@H](COCC6CC6)C[C@H]5COc34)nc2CO)[C@@H]1N
Show InChI InChI=1S/C29H40N6O4S/c1-18-26(30)29(17-39-18)5-8-34(9-6-29)27-22(13-36)33-24(11-32-27)40-23-4-7-31-28-25(23)38-16-21-10-20(12-35(21)28)15-37-14-19-2-3-19/h4,7,11,18-21,26,36H,2-3,5-6,8-10,12-17,30H2,1H3/t18-,20-,21-,26+/m0/s1
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n/an/a 2.30n/an/an/an/an/an/a



Nikang Therapeutics, Inc.

US Patent


Assay Description
SHP2 possesses two N-terminal Src homology 2 (SH2) domains, a central protein-tyrosine phosphatase (PTP) domain, and C-terminal tail. At the basal st...


US Patent US10894797 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM479347
PNG
((3-((S)-5-amino-5,7-dihydrospiro[cyclo- penta[b]py...)
Show SMILES COC[C@H]1C[C@H]2COc3c(Sc4cnc(N5CCC6(Cc7ncccc7[C@H]6N)CC5)c(CO)n4)ccnc3N2C1
Show InChI InChI=1S/C29H35N7O3S/c1-38-16-18-11-19-17-39-25-23(4-8-32-28(25)36(19)14-18)40-24-13-33-27(22(15-37)34-24)35-9-5-29(6-10-35)12-21-20(26(29)30)3-2-7-31-21/h2-4,7-8,13,18-19,26,37H,5-6,9-12,14-17,30H2,1H3/t18-,19-,26+/m0/s1
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n/an/a 2.70n/an/an/an/an/an/a



Nikang Therapeutics, Inc.

US Patent


Assay Description
SHP2 possesses two N-terminal Src homology 2 (SH2) domains, a central protein-tyrosine phosphatase (PTP) domain, and C-terminal tail. At the basal st...


US Patent US10894797 (2021)

More data for this
Ligand-Target Pair
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
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM479327
PNG
((3-((3S,4S)-4-amino-3-methyl-2-oxa-8- azaspiro[4.5...)
Show SMILES C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3ccnc4N5C[C@H](C[C@H]5COc34)OCC3CC3)nc2CO)[C@@H]1N
Show InChI InChI=1S/C28H38N6O4S/c1-17-25(29)28(16-38-17)5-8-33(9-6-28)26-21(13-35)32-23(11-31-26)39-22-4-7-30-27-24(22)37-15-19-10-20(12-34(19)27)36-14-18-2-3-18/h4,7,11,17-20,25,35H,2-3,5-6,8-10,12-16,29H2,1H3/t17-,19-,20-,25+/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Nikang Therapeutics, Inc.

US Patent


Assay Description
SHP2 possesses two N-terminal Src homology 2 (SH2) domains, a central protein-tyrosine phosphatase (PTP) domain, and C-terminal tail. At the basal st...


US Patent US10894797 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM479312
PNG
((3-((3S,4S)-4-amino-3-methyl-2-oxa-8- azaspiro[4.5...)
Show SMILES C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3ccnc4N5CCCC5COc34)nc2CO)[C@@H]1N
Show InChI InChI=1S/C24H32N6O3S/c1-15-21(25)24(14-33-15)5-9-29(10-6-24)22-17(12-31)28-19(11-27-22)34-18-4-7-26-23-20(18)32-13-16-3-2-8-30(16)23/h4,7,11,15-16,21,31H,2-3,5-6,8-10,12-14,25H2,1H3/t15-,16?,21+/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Nikang Therapeutics, Inc.

US Patent


Assay Description
SHP2 possesses two N-terminal Src homology 2 (SH2) domains, a central protein-tyrosine phosphatase (PTP) domain, and C-terminal tail. At the basal st...


US Patent US10894797 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM479359
PNG
((3-((S)-5-amino-5,7-dihydro- spiro[cyclopenta[b]py...)
Show SMILES COCOC[C@H]1C[C@H]2COc3c(Sc4cnc(N5CCC6(Cc7ncccc7[C@H]6N)CC5)c(CO)n4)ccnc3N2C1
Show InChI InChI=1S/C30H37N7O4S/c1-39-18-40-16-19-11-20-17-41-26-24(4-8-33-29(26)37(20)14-19)42-25-13-34-28(23(15-38)35-25)36-9-5-30(6-10-36)12-22-21(27(30)31)3-2-7-32-22/h2-4,7-8,13,19-20,27,38H,5-6,9-12,14-18,31H2,1H3/t19-,20-,27+/m0/s1
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n/an/a 3.30n/an/an/an/an/an/a



Nikang Therapeutics, Inc.

US Patent


Assay Description
SHP2 possesses two N-terminal Src homology 2 (SH2) domains, a central protein-tyrosine phosphatase (PTP) domain, and C-terminal tail. At the basal st...


US Patent US10894797 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM479361
PNG
((3-((3S,4S)-4-amino-3-methyl-2-oxa- 8-azaspiro[4.5...)
Show SMILES COCOC[C@@H]1C[C@H]2COc3c(Sc4cnc(N5CCC6(CO[C@@H](C)[C@H]6N)CC5)c(CO)n4)ccnc3N2C1
Show InChI InChI=1S/C27H38N6O5S/c1-17-24(28)27(15-38-17)4-7-32(8-5-27)25-20(12-34)31-22(10-30-25)39-21-3-6-29-26-23(21)37-14-19-9-18(11-33(19)26)13-36-16-35-2/h3,6,10,17-19,24,34H,4-5,7-9,11-16,28H2,1-2H3/t17-,18+,19-,24+/m0/s1
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n/an/a 3.5n/an/an/an/an/an/a



Nikang Therapeutics, Inc.

US Patent


Assay Description
SHP2 possesses two N-terminal Src homology 2 (SH2) domains, a central protein-tyrosine phosphatase (PTP) domain, and C-terminal tail. At the basal st...


US Patent US10894797 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM479340
PNG
((3-((3S,4S)-4-amino-3-methyl-2-oxa-8- azaspiro[4.5...)
Show SMILES COC[C@H]1C[C@H]2COc3c(Sc4cnc(N5CCC6(CO[C@@H](C)[C@H]6N)CC5)c(CO)n4)ccnc3N2C1
Show InChI InChI=1S/C26H36N6O4S/c1-16-23(27)26(15-36-16)4-7-31(8-5-26)24-19(12-33)30-21(10-29-24)37-20-3-6-28-25-22(20)35-14-18-9-17(13-34-2)11-32(18)25/h3,6,10,16-18,23,33H,4-5,7-9,11-15,27H2,1-2H3/t16-,17-,18-,23+/m0/s1
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n/an/a 3.60n/an/an/an/an/an/a



Nikang Therapeutics, Inc.

US Patent


Assay Description
SHP2 possesses two N-terminal Src homology 2 (SH2) domains, a central protein-tyrosine phosphatase (PTP) domain, and C-terminal tail. At the basal st...


US Patent US10894797 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM479363
PNG
((3-((3S,4S)-4-amino-3-methyl-2-oxa-8- azaspiro[4.5...)
Show SMILES COCOC[C@@H]1CC2COc3c(Sc4cnc(N5CCC6(CO[C@@H](C)[C@H]6N)CC5)c(CO)n4)ccnc3N2C1
Show InChI InChI=1S/C27H38N6O5S/c1-17-24(28)27(15-38-17)4-7-32(8-5-27)25-20(12-34)31-22(10-30-25)39-21-3-6-29-26-23(21)37-14-19-9-18(11-33(19)26)13-36-16-35-2/h3,6,10,17-19,24,34H,4-5,7-9,11-16,28H2,1-2H3/t17-,18+,19?,24+/m0/s1
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n/an/a 3.70n/an/an/an/an/an/a



Nikang Therapeutics, Inc.

US Patent


Assay Description
SHP2 possesses two N-terminal Src homology 2 (SH2) domains, a central protein-tyrosine phosphatase (PTP) domain, and C-terminal tail. At the basal st...


US Patent US10894797 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM479341
PNG
((3-((3S,4S)-4-amino-3-methyl-2-oxa-8- azaspiro[4.5...)
Show SMILES COC[C@@H]1C[C@H]2COc3c(Sc4cnc(N5CCC6(CO[C@@H](C)[C@H]6N)CC5)c(CO)n4)ccnc3N2C1
Show InChI InChI=1S/C26H36N6O4S/c1-16-23(27)26(15-36-16)4-7-31(8-5-26)24-19(12-33)30-21(10-29-24)37-20-3-6-28-25-22(20)35-14-18-9-17(13-34-2)11-32(18)25/h3,6,10,16-18,23,33H,4-5,7-9,11-15,27H2,1-2H3/t16-,17+,18-,23+/m0/s1
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n/an/a 3.80n/an/an/an/an/an/a



Nikang Therapeutics, Inc.

US Patent


Assay Description
SHP2 possesses two N-terminal Src homology 2 (SH2) domains, a central protein-tyrosine phosphatase (PTP) domain, and C-terminal tail. At the basal st...


US Patent US10894797 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM479357
PNG
((S)-1'-(5-(((6aS,8S)-8-((methoxy- methoxy)methyl)-...)
Show SMILES COCOC[C@H]1C[C@H]2COc3c(Sc4cnc(cn4)N4CCC5(Cc6ncccc6[C@H]5N)CC4)ccnc3N2C1
Show InChI InChI=1S/C29H35N7O3S/c1-37-18-38-16-19-11-20-17-39-26-23(4-8-32-28(26)36(20)15-19)40-25-14-33-24(13-34-25)35-9-5-29(6-10-35)12-22-21(27(29)30)3-2-7-31-22/h2-4,7-8,13-14,19-20,27H,5-6,9-12,15-18,30H2,1H3/t19-,20-,27+/m0/s1
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n/an/a 3.90n/an/an/an/an/an/a



Nikang Therapeutics, Inc.

US Patent


Assay Description
SHP2 possesses two N-terminal Src homology 2 (SH2) domains, a central protein-tyrosine phosphatase (PTP) domain, and C-terminal tail. At the basal st...


US Patent US10894797 (2021)

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



TBA

Curated by ChEMBL


Assay Description
Inhibition of SHP2 in human KYSE520 cells assessed as reduction in ERK phosphorylation after 2 hrs by SureFire p-ERK assay


J Med Chem 62: 1793-1802 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01726
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


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



TBA

Curated by ChEMBL


Assay Description
Inhibition of SHP2 in human KYSE520 cells assessed as reduction in ERK phosphorylation after 2 hrs by SureFire p-ERK assay


J Med Chem 62: 1793-1802 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01726
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM479343
PNG
((3-((3S,4S)-4-amino-3-methyl-2-oxa- 8-azaspiro[4.5...)
Show SMILES COOCOC[C@H]1C[C@H]2COc3c(Sc4cnc(N5CCC6(CO[C@@H](C)[C@H]6N)CC5)c(CO)n4)ccnc3N2C1
Show InChI InChI=1S/C27H38N6O6S/c1-17-24(28)27(15-38-17)4-7-32(8-5-27)25-20(12-34)31-22(10-30-25)40-21-3-6-29-26-23(21)37-14-19-9-18(11-33(19)26)13-36-16-39-35-2/h3,6,10,17-19,24,34H,4-5,7-9,11-16,28H2,1-2H3/t17-,18-,19-,24+/m0/s1
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n/an/a 4n/an/an/an/an/an/a



Nikang Therapeutics, Inc.

US Patent


Assay Description
SHP2 possesses two N-terminal Src homology 2 (SH2) domains, a central protein-tyrosine phosphatase (PTP) domain, and C-terminal tail. At the basal st...


US Patent US10894797 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM479312
PNG
((3-((3S,4S)-4-amino-3-methyl-2-oxa-8- azaspiro[4.5...)
Show SMILES C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3ccnc4N5CCCC5COc34)nc2CO)[C@@H]1N
Show InChI InChI=1S/C24H32N6O3S/c1-15-21(25)24(14-33-15)5-9-29(10-6-24)22-17(12-31)28-19(11-27-22)34-18-4-7-26-23-20(18)32-13-16-3-2-8-30(16)23/h4,7,11,15-16,21,31H,2-3,5-6,8-10,12-14,25H2,1H3/t15-,16?,21+/m0/s1
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n/an/a 4n/an/an/an/an/an/a



Nikang Therapeutics, Inc.

US Patent


Assay Description
SHP2 possesses two N-terminal Src homology 2 (SH2) domains, a central protein-tyrosine phosphatase (PTP) domain, and C-terminal tail. At the basal st...


US Patent US10894797 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM479342
PNG
((3-((3S,4S)-4-amino-3-methyl-2-oxa-8- azaspiro[4.5...)
Show SMILES COCOC[C@H]1C[C@H]2COc3c(Sc4cnc(N5CCC6(CO[C@@H](C)[C@H]6N)CC5)c(CO)n4)ccnc3N2C1
Show InChI InChI=1S/C27H38N6O5S/c1-17-24(28)27(15-38-17)4-7-32(8-5-27)25-20(12-34)31-22(10-30-25)39-21-3-6-29-26-23(21)37-14-19-9-18(11-33(19)26)13-36-16-35-2/h3,6,10,17-19,24,34H,4-5,7-9,11-16,28H2,1-2H3/t17-,18-,19-,24+/m0/s1
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n/an/a 4.20n/an/an/an/an/an/a



Nikang Therapeutics, Inc.

US Patent


Assay Description
SHP2 possesses two N-terminal Src homology 2 (SH2) domains, a central protein-tyrosine phosphatase (PTP) domain, and C-terminal tail. At the basal st...


US Patent US10894797 (2021)

More data for this
Ligand-Target Pair
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