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Compile Data Set for Download or QSAR

Found 336 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein phosphatase non-receptor type 11 (PTPN11)(E76K)'   
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 [E76K]


(Homo sapiens (Human))
BDBM488484
PNG
(US10954243, Example 15)
Show SMILES CC1(N)CCN(CC1)c1nc2[nH]nc(-c3cccc(Cl)c3Cl)c2nc1CF
Show InChI InChI=1S/C18H19Cl2FN6/c1-18(22)5-7-27(8-6-18)17-12(9-21)23-15-14(25-26-16(15)24-17)10-3-2-4-11(19)13(10)20/h2-4H,5-9,22H2,1H3,(H,24,25,26)
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n/an/a 1n/an/an/an/an/an/a



NAVIRE PHARMA, INC.

US Patent


Assay Description
Phosphatase activity of full length wild-type PTPN11(PTPN11-WT) or PTPN11-E76K mutant enzyme was measured using the fluorogenic 6,8-difluoro-4-methyl...


US Patent US10954243 (2021)


BindingDB Entry DOI: 10.7270/Q2S185KT
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 [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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TBA

Assay Description
Phosphatase activity of full length wild-type PTPN11(PTPN11-WT) or PTPN11-E76K mutant enzyme was measured using the fluorogenic 6,8-difluoro-4-methyl...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TB1B4T
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 [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)


BindingDB Entry DOI: 10.7270/Q2833W4T
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 [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



Incyte Corporation



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...


Bioorg Med Chem 15: 6649-58 (2007)


BindingDB Entry DOI: 10.7270/Q2TH8Q0Z
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 [E76K]


(Homo sapiens (Human))
BDBM516932
PNG
(US11104675, Example 18a | US11104675, Example 18b)
Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc(C)n(-c3ccc(Cc4ccn(C)n4)c(Cl)c3Cl)c(=O)c2C)[C@@H]1N |r,wD:34.39,1.0,(7.32,-3.67,;5.79,-3.83,;5.02,-5.16,;3.51,-4.84,;3.35,-3.31,;2.02,-4.08,;.68,-3.31,;.68,-1.77,;2.02,-1,;3.35,-1.77,;-.65,-1,;-1.98,-1.77,;-3.32,-1,;-4.65,-1.77,;-3.32,.54,;-4.65,1.31,;-5.99,.54,;-7.32,1.31,;-7.32,2.85,;-8.65,3.62,;-9.99,2.85,;-10.15,1.32,;-11.65,1,;-12.42,2.33,;-13.96,2.49,;-11.39,3.48,;-5.99,3.62,;-5.99,5.16,;-4.65,2.85,;-3.32,3.62,;-1.98,1.31,;-1.98,2.85,;-.65,.54,;.68,1.31,;4.76,-2.68,;5.08,-1.18,)|
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n/an/a 3n/an/an/an/an/an/a


TBA

Assay Description
Phosphatase activity of full length wild-type PTPN11(PTPN11-WT) or PTPN11-E76K mutant enzyme was measured using the fluorogenic 6,8-difluoro-4-methyl...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2GQ71XC
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 [E76K]


(Homo sapiens (Human))
BDBM488489
PNG
(US10954243, Example 20)
Show SMILES CNc1nccc(-c2n[nH]c3nc(N4CCC5(CO[C@@H](C)[C@H]5N)CC4)c(CO)nc23)c1Cl |r|
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n/an/a 3n/an/an/an/an/an/a



NAVIRE PHARMA, INC.

US Patent


Assay Description
Phosphatase activity of full length wild-type PTPN11(PTPN11-WT) or PTPN11-E76K mutant enzyme was measured using the fluorogenic 6,8-difluoro-4-methyl...


US Patent US10954243 (2021)


BindingDB Entry DOI: 10.7270/Q2S185KT
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 [E76K]


(Homo sapiens (Human))
BDBM488485
PNG
(US10954243, Example 16)
Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc3[nH]nc(-c4cccc(Cl)c4Cl)c3nc2CO)[C@@H]1N |r|
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n/an/a 4n/an/an/an/an/an/a



NAVIRE PHARMA, INC.

US Patent


Assay Description
Phosphatase activity of full length wild-type PTPN11(PTPN11-WT) or PTPN11-E76K mutant enzyme was measured using the fluorogenic 6,8-difluoro-4-methyl...


US Patent US10954243 (2021)


BindingDB Entry DOI: 10.7270/Q2S185KT
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 [E76K]


(Homo sapiens (Human))
BDBM516935
PNG
(US11104675, Example 20b)
Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc(C)n(-c3ccc(Oc4cc[nH]n4)c(Cl)c3Cl)c(=O)c2C)[C@@H]1N |r,wD:33.38,1.0,(7.32,-3.67,;5.79,-3.83,;5.02,-5.16,;3.51,-4.84,;3.35,-3.31,;2.02,-4.08,;.68,-3.31,;.68,-1.77,;2.02,-1,;3.35,-1.77,;-.65,-1,;-1.98,-1.77,;-3.32,-1,;-4.65,-1.77,;-3.32,.54,;-4.65,1.31,;-5.99,.54,;-7.32,1.31,;-7.32,2.85,;-8.65,3.62,;-9.99,2.85,;-10.15,1.32,;-11.65,1,;-12.42,2.33,;-11.39,3.48,;-5.99,3.62,;-5.99,5.16,;-4.65,2.85,;-3.32,3.62,;-1.98,1.31,;-1.98,2.85,;-.65,.54,;.68,1.31,;4.76,-2.68,;5.08,-1.18,)|
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TBA

Assay Description
Phosphatase activity of full length wild-type PTPN11(PTPN11-WT) or PTPN11-E76K mutant enzyme was measured using the fluorogenic 6,8-difluoro-4-methyl...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2GQ71XC
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 [E76K]


(Homo sapiens (Human))
BDBM488486
PNG
(US10954243, Example 17)
Show SMILES CCNc1nccc(-c2n[nH]c3nc(N4CCC5(CO[C@@H](C)[C@H]5N)CC4)c(CO)nc23)c1Cl |r|
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n/an/a 6n/an/an/an/an/an/a



NAVIRE PHARMA, INC.

US Patent


Assay Description
Phosphatase activity of full length wild-type PTPN11(PTPN11-WT) or PTPN11-E76K mutant enzyme was measured using the fluorogenic 6,8-difluoro-4-methyl...


US Patent US10954243 (2021)


BindingDB Entry DOI: 10.7270/Q2S185KT
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 [E76K]


(Homo sapiens (Human))
BDBM488488
PNG
(US10954243, Example 19)
Show SMILES CCNc1nccc(-c2n[nH]c3nc(N4CCC5(CO[C@@H](C)[C@H]5N)CC4)c(Cl)nc23)c1Cl |r|
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n/an/a 6n/an/an/an/an/an/a



NAVIRE PHARMA, INC.

US Patent


Assay Description
Phosphatase activity of full length wild-type PTPN11(PTPN11-WT) or PTPN11-E76K mutant enzyme was measured using the fluorogenic 6,8-difluoro-4-methyl...


US Patent US10954243 (2021)


BindingDB Entry DOI: 10.7270/Q2S185KT
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 [E76K]


(Homo sapiens (Human))
BDBM488487
PNG
(US10954243, Example 18)
Show SMILES CCNc1nccc(-c2n[nH]c3nc(N4CCC5(CO[C@@H](C)[C@H]5N)CC4)c(C)nc23)c1Cl |r|
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n/an/a 9n/an/an/an/an/an/a



NAVIRE PHARMA, INC.

US Patent


Assay Description
Phosphatase activity of full length wild-type PTPN11(PTPN11-WT) or PTPN11-E76K mutant enzyme was measured using the fluorogenic 6,8-difluoro-4-methyl...


US Patent US10954243 (2021)


BindingDB Entry DOI: 10.7270/Q2S185KT
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 [E76K]


(Homo sapiens (Human))
BDBM516934
PNG
(US11104675, Example 19b)
Show SMILES CNC(=O)c1ccc(Oc2ccc(c(Cl)c2Cl)-n2c(C)nc(N3CCC4(CO[C@@H](C)[C@H]4N)CC3)c(C)c2=O)cc1 |r,wD:30.32,28.29,(-15.32,-1.77,;-13.99,-1,;-13.99,.54,;-15.32,1.31,;-12.65,1.31,;-12.65,2.85,;-11.32,3.62,;-9.99,2.85,;-8.65,3.62,;-7.32,2.85,;-7.32,1.31,;-5.99,.54,;-4.65,1.31,;-4.65,2.85,;-3.32,3.62,;-5.99,3.62,;-5.99,5.16,;-3.32,.54,;-3.32,-1,;-4.65,-1.77,;-1.98,-1.77,;-.65,-1,;.68,-1.77,;.68,-3.31,;2.02,-4.08,;3.35,-3.31,;3.51,-4.84,;5.02,-5.16,;5.79,-3.83,;7.32,-3.67,;4.76,-2.68,;5.08,-1.18,;3.35,-1.77,;2.02,-1,;-.65,.54,;.68,1.31,;-1.98,1.31,;-1.98,2.85,;-9.99,1.31,;-11.32,.54,)|
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TBA

Assay Description
Phosphatase activity of full length wild-type PTPN11(PTPN11-WT) or PTPN11-E76K mutant enzyme was measured using the fluorogenic 6,8-difluoro-4-methyl...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2GQ71XC
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 [E76K]


(Homo sapiens (Human))
BDBM488480
PNG
(US10954243, Example 11)
Show SMILES CNc1nccc(-c2n[nH]c3nc(N4CCC(C)(N)CC4)c(CO)nc23)c1Cl
Show InChI InChI=1S/C18H23ClN8O/c1-18(20)4-7-27(8-5-18)17-11(9-28)23-14-13(25-26-16(14)24-17)10-3-6-22-15(21-2)12(10)19/h3,6,28H,4-5,7-9,20H2,1-2H3,(H,21,22)(H,24,25,26)
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n/an/a 17n/an/an/an/an/an/a



NAVIRE PHARMA, INC.

US Patent


Assay Description
Phosphatase activity of full length wild-type PTPN11(PTPN11-WT) or PTPN11-E76K mutant enzyme was measured using the fluorogenic 6,8-difluoro-4-methyl...


US Patent US10954243 (2021)


BindingDB Entry DOI: 10.7270/Q2S185KT
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 [E76K]


(Homo sapiens (Human))
BDBM488476
PNG
(US10954243, Example 7)
Show SMILES CC1(N)CCN(CC1)c1nc2[nH]nc(-c3cccc(Cl)c3Cl)c2nc1CO
Show InChI InChI=1S/C18H20Cl2N6O/c1-18(21)5-7-26(8-6-18)17-12(9-27)22-15-14(24-25-16(15)23-17)10-3-2-4-11(19)13(10)20/h2-4,27H,5-9,21H2,1H3,(H,23,24,25)
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n/an/a 19n/an/an/an/an/an/a



NAVIRE PHARMA, INC.

US Patent


Assay Description
Phosphatase activity of full length wild-type PTPN11(PTPN11-WT) or PTPN11-E76K mutant enzyme was measured using the fluorogenic 6,8-difluoro-4-methyl...


US Patent US10954243 (2021)


BindingDB Entry DOI: 10.7270/Q2S185KT
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 [E76K]


(Homo sapiens (Human))
BDBM516921
PNG
(US11104675, Example 12a | US11104675, Example 12b)
Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc(C)n(-c3cccc(Cl)c3Cl)c(=O)c2Br)[C@@H]1N |r,wD:27.31,1.0,(7.32,-3.67,;5.79,-3.83,;5.02,-5.16,;3.51,-4.84,;3.35,-3.31,;2.02,-4.08,;.68,-3.31,;.68,-1.77,;2.02,-1,;3.35,-1.77,;-.65,-1,;-1.98,-1.77,;-3.32,-1,;-4.65,-1.77,;-3.32,.54,;-4.65,1.31,;-5.99,.54,;-7.32,1.31,;-7.32,2.85,;-5.99,3.62,;-5.99,5.16,;-4.65,2.85,;-3.32,3.62,;-1.98,1.31,;-1.98,2.85,;-.65,.54,;.68,1.31,;4.76,-2.68,;5.08,-1.18,)|
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Assay Description
Phosphatase activity of full length wild-type PTPN11(PTPN11-WT) or PTPN11-E76K mutant enzyme was measured using the fluorogenic 6,8-difluoro-4-methyl...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2GQ71XC
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 [E76K]


(Homo sapiens (Human))
BDBM488483
PNG
(US10954243, Example 14)
Show SMILES CC1(N)CCN(CC1)c1nc2[nH]nc(-c3cccc(Cl)c3Cl)c2nc1C(F)F
Show InChI InChI=1S/C18H18Cl2F2N6/c1-18(23)5-7-28(8-6-18)17-14(15(21)22)24-13-12(26-27-16(13)25-17)9-3-2-4-10(19)11(9)20/h2-4,15H,5-8,23H2,1H3,(H,25,26,27)
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NAVIRE PHARMA, INC.

US Patent


Assay Description
Phosphatase activity of full length wild-type PTPN11(PTPN11-WT) or PTPN11-E76K mutant enzyme was measured using the fluorogenic 6,8-difluoro-4-methyl...


US Patent US10954243 (2021)


BindingDB Entry DOI: 10.7270/Q2S185KT
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 [E76K]


(Homo sapiens (Human))
BDBM497074
PNG
(US11001561, Compound 63 | US11001561, Compound 63a...)
Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc(C)n(-c3cccc(Cl)c3Cl)c(=O)c2C)[C@@H]1N |r,wD:27.31,1.0,(7.31,-3.02,;5.85,-3.49,;5.37,-4.96,;3.83,-4.96,;3.36,-3.49,;2.02,-4.26,;.69,-3.49,;.69,-1.95,;2.02,-1.18,;3.36,-1.95,;-.64,-1.18,;-.64,.36,;-1.98,1.13,;-1.98,2.67,;-3.31,.36,;-4.65,1.13,;-5.98,.36,;-7.31,1.13,;-7.31,2.67,;-5.98,3.44,;-5.98,4.98,;-4.65,2.67,;-3.31,3.44,;-3.31,-1.18,;-4.65,-1.95,;-1.98,-1.95,;-1.98,-3.49,;4.6,-2.59,;4.6,-1.05,)|
Show InChI InChI=1S/C21H26Cl2N4O2/c1-12-19(26-9-7-21(8-10-26)11-29-13(2)18(21)24)25-14(3)27(20(12)28)16-6-4-5-15(22)17(16)23/h4-6,13,18H,7-11,24H2,1-3H3/t13-,18+/m0/s1
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TBA

Assay Description
Phosphatase activity of full length wild-type PTPN11(PTPN11-WT) or PTPN11-E76K mutant enzyme was measured using the fluorogenic 6,8-difluoro-4-methyl...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2GQ71XC
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 [E76K]


(Homo sapiens (Human))
BDBM384163
PNG
((R)-8-(3-(2-chloro-3- methoxyphenyl)-1H- pyrazolo[...)
Show SMILES COc1cccc(-c2n[nH]c3nc(cnc23)N2CCC3(CCC[C@H]3N)CC2)c1Cl |r|
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n/an/a 39n/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)


BindingDB Entry DOI: 10.7270/Q2833W4T
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 [E76K]


(Homo sapiens (Human))
BDBM384163
PNG
((R)-8-(3-(2-chloro-3- methoxyphenyl)-1H- pyrazolo[...)
Show SMILES COc1cccc(-c2n[nH]c3nc(cnc23)N2CCC3(CCC[C@H]3N)CC2)c1Cl |r|
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Incyte Corporation



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...


Bioorg Med Chem 15: 6649-58 (2007)


BindingDB Entry DOI: 10.7270/Q2TH8Q0Z
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 [E76K]


(Homo sapiens (Human))
BDBM384163
PNG
((R)-8-(3-(2-chloro-3- methoxyphenyl)-1H- pyrazolo[...)
Show SMILES COc1cccc(-c2n[nH]c3nc(cnc23)N2CCC3(CCC[C@H]3N)CC2)c1Cl |r|
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n/an/a 39n/an/an/an/an/an/a


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Assay Description
Phosphatase activity of full length wild-type PTPN11(PTPN11-WT) or PTPN11-E76K mutant enzyme was measured using the fluorogenic 6,8-difluoro-4-methyl...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TB1B4T
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 [E76K]


(Homo sapiens (Human))
BDBM384191
PNG
((R)-8-(3-(3-Chloro-2-(methylamino)pyridin-4-yl)-1H...)
Show SMILES CNc1nccc(-c2n[nH]c3nc(cnc23)N2CCC3(CCC[C@H]3N)CC2)c1Cl |r|
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n/an/a 43n/an/an/an/an/an/a


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Assay Description
Phosphatase activity of full length wild-type PTPN11(PTPN11-WT) or PTPN11-E76K mutant enzyme was measured using the fluorogenic 6,8-difluoro-4-methyl...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TB1B4T
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 [E76K]


(Homo sapiens (Human))
BDBM384191
PNG
((R)-8-(3-(3-Chloro-2-(methylamino)pyridin-4-yl)-1H...)
Show SMILES CNc1nccc(-c2n[nH]c3nc(cnc23)N2CCC3(CCC[C@H]3N)CC2)c1Cl |r|
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n/an/a 43n/an/an/an/an/an/a



Incyte Corporation



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...


Bioorg Med Chem 15: 6649-58 (2007)


BindingDB Entry DOI: 10.7270/Q2TH8Q0Z
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 [E76K]


(Homo sapiens (Human))
BDBM384191
PNG
((R)-8-(3-(3-Chloro-2-(methylamino)pyridin-4-yl)-1H...)
Show SMILES CNc1nccc(-c2n[nH]c3nc(cnc23)N2CCC3(CCC[C@H]3N)CC2)c1Cl |r|
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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)


BindingDB Entry DOI: 10.7270/Q2833W4T
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 [E76K]


(Homo sapiens (Human))
BDBM516917
PNG
(US11104675, Example 9)
Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc(C)n(-c3cccc(Cl)c3Cl)c(=O)c2Cl)[C@@H]1N |r,wD:27.31,1.0,(7.32,-3.67,;5.79,-3.83,;5.02,-5.16,;3.51,-4.84,;3.35,-3.31,;2.02,-4.08,;.68,-3.31,;.68,-1.77,;2.02,-1,;3.35,-1.77,;-.65,-1,;-1.98,-1.77,;-3.32,-1,;-4.65,-1.77,;-3.32,.54,;-4.65,1.31,;-5.99,.54,;-7.32,1.31,;-7.32,2.85,;-5.99,3.62,;-5.99,5.16,;-4.65,2.85,;-3.32,3.62,;-1.98,1.31,;-1.98,2.85,;-.65,.54,;.68,1.31,;4.76,-2.68,;5.08,-1.18,)|
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n/an/a 45n/an/an/an/an/an/a


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Assay Description
Phosphatase activity of full length wild-type PTPN11(PTPN11-WT) or PTPN11-E76K mutant enzyme was measured using the fluorogenic 6,8-difluoro-4-methyl...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2GQ71XC
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 [E76K]


(Homo sapiens (Human))
BDBM488491
PNG
((6-((3S,4S)-4- amino-3-methyl-2- oxa-8- azaspiro[4...)
Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc3[nH]nc(-c4ccnc(OC5COC5)c4Cl)c3nc2CO)[C@@H]1N |r|
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n/an/a 48n/an/an/an/an/an/a



NAVIRE PHARMA, INC.

US Patent


Assay Description
Phosphatase activity of full length wild-type PTPN11(PTPN11-WT) or PTPN11-E76K mutant enzyme was measured using the fluorogenic 6,8-difluoro-4-methyl...


US Patent US10954243 (2021)


BindingDB Entry DOI: 10.7270/Q2S185KT
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 [E76K]


(Homo sapiens (Human))
BDBM488470
PNG
(US10954243, Example 1)
Show SMILES Cc1nc2c(n[nH]c2nc1N1CCC(C)(N)CC1)-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C18H20Cl2N6/c1-10-17(26-8-6-18(2,21)7-9-26)23-16-15(22-10)14(24-25-16)11-4-3-5-12(19)13(11)20/h3-5H,6-9,21H2,1-2H3,(H,23,24,25)
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n/an/a 68n/an/an/an/an/an/a



NAVIRE PHARMA, INC.

US Patent


Assay Description
Phosphatase activity of full length wild-type PTPN11(PTPN11-WT) or PTPN11-E76K mutant enzyme was measured using the fluorogenic 6,8-difluoro-4-methyl...


US Patent US10954243 (2021)


BindingDB Entry DOI: 10.7270/Q2S185KT
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 [E76K]


(Homo sapiens (Human))
BDBM384147
PNG
((1-(3-(4-Chloro-3-methoxyphenyl)-1H-pyrazolo[3,4-b...)
Show SMILES COc1cc(ccc1Cl)-c1n[nH]c2nc(cnc12)N1CCC(C)(CN)CC1
Show InChI InChI=1S/C19H23ClN6O/c1-19(11-21)5-7-26(8-6-19)15-10-22-17-16(24-25-18(17)23-15)12-3-4-13(20)14(9-12)27-2/h3-4,9-10H,5-8,11,21H2,1-2H3,(H,23,24,25)
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n/an/a 72n/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)


BindingDB Entry DOI: 10.7270/Q2833W4T
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 [E76K]


(Homo sapiens (Human))
BDBM384147
PNG
((1-(3-(4-Chloro-3-methoxyphenyl)-1H-pyrazolo[3,4-b...)
Show SMILES COc1cc(ccc1Cl)-c1n[nH]c2nc(cnc12)N1CCC(C)(CN)CC1
Show InChI InChI=1S/C19H23ClN6O/c1-19(11-21)5-7-26(8-6-19)15-10-22-17-16(24-25-18(17)23-15)12-3-4-13(20)14(9-12)27-2/h3-4,9-10H,5-8,11,21H2,1-2H3,(H,23,24,25)
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Incyte Corporation



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...


Bioorg Med Chem 15: 6649-58 (2007)


BindingDB Entry DOI: 10.7270/Q2TH8Q0Z
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 [E76K]


(Homo sapiens (Human))
BDBM384147
PNG
((1-(3-(4-Chloro-3-methoxyphenyl)-1H-pyrazolo[3,4-b...)
Show SMILES COc1cc(ccc1Cl)-c1n[nH]c2nc(cnc12)N1CCC(C)(CN)CC1
Show InChI InChI=1S/C19H23ClN6O/c1-19(11-21)5-7-26(8-6-19)15-10-22-17-16(24-25-18(17)23-15)12-3-4-13(20)14(9-12)27-2/h3-4,9-10H,5-8,11,21H2,1-2H3,(H,23,24,25)
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TBA

Assay Description
Phosphatase activity of full length wild-type PTPN11(PTPN11-WT) or PTPN11-E76K mutant enzyme was measured using the fluorogenic 6,8-difluoro-4-methyl...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TB1B4T
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 [E76K]


(Homo sapiens (Human))
BDBM384206
PNG
((2S,4R)-4-Amino-8-(3-(2-amino-3-chloropyridin-4-yl...)
Show SMILES N[C@@H]1C[C@@H](O)CC11CCN(CC1)c1cnc2c(n[nH]c2n1)-c1ccnc(N)c1Cl |r|
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n/an/a 75n/an/an/an/an/an/a



Incyte Corporation



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...


Bioorg Med Chem 15: 6649-58 (2007)


BindingDB Entry DOI: 10.7270/Q2TH8Q0Z
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 [E76K]


(Homo sapiens (Human))
BDBM384206
PNG
((2S,4R)-4-Amino-8-(3-(2-amino-3-chloropyridin-4-yl...)
Show SMILES N[C@@H]1C[C@@H](O)CC11CCN(CC1)c1cnc2c(n[nH]c2n1)-c1ccnc(N)c1Cl |r|
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n/an/a 75n/an/an/an/an/an/a


TBA

Assay Description
Phosphatase activity of full length wild-type PTPN11(PTPN11-WT) or PTPN11-E76K mutant enzyme was measured using the fluorogenic 6,8-difluoro-4-methyl...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TB1B4T
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 [E76K]


(Homo sapiens (Human))
BDBM384206
PNG
((2S,4R)-4-Amino-8-(3-(2-amino-3-chloropyridin-4-yl...)
Show SMILES N[C@@H]1C[C@@H](O)CC11CCN(CC1)c1cnc2c(n[nH]c2n1)-c1ccnc(N)c1Cl |r|
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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)


BindingDB Entry DOI: 10.7270/Q2833W4T
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 [E76K]


(Homo sapiens (Human))
BDBM384152
PNG
((S)-8-(3-(2,3-Dichlorophenyl)-1H-pyrazolo[3,4-b]py...)
Show SMILES N[C@@H]1COCC11CCN(CC1)c1cnc2c(n[nH]c2n1)-c1cccc(Cl)c1Cl |r|
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n/an/a 75n/an/an/an/an/an/a


TBA

Assay Description
Phosphatase activity of full length wild-type PTPN11(PTPN11-WT) or PTPN11-E76K mutant enzyme was measured using the fluorogenic 6,8-difluoro-4-methyl...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TB1B4T
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 [E76K]


(Homo sapiens (Human))
BDBM384152
PNG
((S)-8-(3-(2,3-Dichlorophenyl)-1H-pyrazolo[3,4-b]py...)
Show SMILES N[C@@H]1COCC11CCN(CC1)c1cnc2c(n[nH]c2n1)-c1cccc(Cl)c1Cl |r|
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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)


BindingDB Entry DOI: 10.7270/Q2833W4T
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 [E76K]


(Homo sapiens (Human))
BDBM384152
PNG
((S)-8-(3-(2,3-Dichlorophenyl)-1H-pyrazolo[3,4-b]py...)
Show SMILES N[C@@H]1COCC11CCN(CC1)c1cnc2c(n[nH]c2n1)-c1cccc(Cl)c1Cl |r|
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n/an/a 75n/an/an/an/an/an/a



Incyte Corporation



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...


Bioorg Med Chem 15: 6649-58 (2007)


BindingDB Entry DOI: 10.7270/Q2TH8Q0Z
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 [E76K]


(Homo sapiens (Human))
BDBM384141
PNG
((1-(3-(2-chloro-3- methoxy phenyl)-1H- pyrazolo[3,...)
Show SMILES COc1cccc(-c2n[nH]c3nc(cnc23)N2CCC(C)(CN)CC2)c1Cl
Show InChI InChI=1S/C19H23ClN6O/c1-19(11-21)6-8-26(9-7-19)14-10-22-17-16(24-25-18(17)23-14)12-4-3-5-13(27-2)15(12)20/h3-5,10H,6-9,11,21H2,1-2H3,(H,23,24,25)
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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)


BindingDB Entry DOI: 10.7270/Q2833W4T
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 [E76K]


(Homo sapiens (Human))
BDBM384141
PNG
((1-(3-(2-chloro-3- methoxy phenyl)-1H- pyrazolo[3,...)
Show SMILES COc1cccc(-c2n[nH]c3nc(cnc23)N2CCC(C)(CN)CC2)c1Cl
Show InChI InChI=1S/C19H23ClN6O/c1-19(11-21)6-8-26(9-7-19)14-10-22-17-16(24-25-18(17)23-14)12-4-3-5-13(27-2)15(12)20/h3-5,10H,6-9,11,21H2,1-2H3,(H,23,24,25)
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n/an/a 80n/an/an/an/an/an/a


TBA

Assay Description
Phosphatase activity of full length wild-type PTPN11(PTPN11-WT) or PTPN11-E76K mutant enzyme was measured using the fluorogenic 6,8-difluoro-4-methyl...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TB1B4T
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 [E76K]


(Homo sapiens (Human))
BDBM384141
PNG
((1-(3-(2-chloro-3- methoxy phenyl)-1H- pyrazolo[3,...)
Show SMILES COc1cccc(-c2n[nH]c3nc(cnc23)N2CCC(C)(CN)CC2)c1Cl
Show InChI InChI=1S/C19H23ClN6O/c1-19(11-21)6-8-26(9-7-19)14-10-22-17-16(24-25-18(17)23-14)12-4-3-5-13(27-2)15(12)20/h3-5,10H,6-9,11,21H2,1-2H3,(H,23,24,25)
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Incyte Corporation



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...


Bioorg Med Chem 15: 6649-58 (2007)


BindingDB Entry DOI: 10.7270/Q2TH8Q0Z
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 [E76K]


(Homo sapiens (Human))
BDBM384207
PNG
((1R)-8-[3-(2-amino- 3-chloropyridin-4- yl)-1H-pyra...)
Show SMILES N[C@@H]1CCCC11CCN(CC1)c1cnc2c(n[nH]c2n1)-c1ccnc(N)c1Cl |r|
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n/an/a 83n/an/an/an/an/an/a



Incyte Corporation



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...


Bioorg Med Chem 15: 6649-58 (2007)


BindingDB Entry DOI: 10.7270/Q2TH8Q0Z
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 [E76K]


(Homo sapiens (Human))
BDBM384207
PNG
((1R)-8-[3-(2-amino- 3-chloropyridin-4- yl)-1H-pyra...)
Show SMILES N[C@@H]1CCCC11CCN(CC1)c1cnc2c(n[nH]c2n1)-c1ccnc(N)c1Cl |r|
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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)


BindingDB Entry DOI: 10.7270/Q2833W4T
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 [E76K]


(Homo sapiens (Human))
BDBM384207
PNG
((1R)-8-[3-(2-amino- 3-chloropyridin-4- yl)-1H-pyra...)
Show SMILES N[C@@H]1CCCC11CCN(CC1)c1cnc2c(n[nH]c2n1)-c1ccnc(N)c1Cl |r|
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TBA

Assay Description
Phosphatase activity of full length wild-type PTPN11(PTPN11-WT) or PTPN11-E76K mutant enzyme was measured using the fluorogenic 6,8-difluoro-4-methyl...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TB1B4T
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 [E76K]


(Homo sapiens (Human))
BDBM384208
PNG
((1R)-8-[3-(3-amino- 2-chlorophenyl)-1H- pyrazolo[3...)
Show SMILES N[C@@H]1CCCC11CCN(CC1)c1cnc2c(n[nH]c2n1)-c1cccc(N)c1Cl |r|
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Incyte Corporation



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...


Bioorg Med Chem 15: 6649-58 (2007)


BindingDB Entry DOI: 10.7270/Q2TH8Q0Z
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 [E76K]


(Homo sapiens (Human))
BDBM384208
PNG
((1R)-8-[3-(3-amino- 2-chlorophenyl)-1H- pyrazolo[3...)
Show SMILES N[C@@H]1CCCC11CCN(CC1)c1cnc2c(n[nH]c2n1)-c1cccc(N)c1Cl |r|
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n/an/a 84n/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)


BindingDB Entry DOI: 10.7270/Q2833W4T
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 [E76K]


(Homo sapiens (Human))
BDBM384208
PNG
((1R)-8-[3-(3-amino- 2-chlorophenyl)-1H- pyrazolo[3...)
Show SMILES N[C@@H]1CCCC11CCN(CC1)c1cnc2c(n[nH]c2n1)-c1cccc(N)c1Cl |r|
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TBA

Assay Description
Phosphatase activity of full length wild-type PTPN11(PTPN11-WT) or PTPN11-E76K mutant enzyme was measured using the fluorogenic 6,8-difluoro-4-methyl...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TB1B4T
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 [E76K]


(Homo sapiens (Human))
BDBM488477
PNG
(US10954243, Example 8)
Show SMILES CC1(N)CCN(CC1)c1nc2[nH]nc(-c3cccc(Cl)c3Cl)c2nc1C(N)=O
Show InChI InChI=1S/C18H19Cl2N7O/c1-18(22)5-7-27(8-6-18)17-14(15(21)28)23-13-12(25-26-16(13)24-17)9-3-2-4-10(19)11(9)20/h2-4H,5-8,22H2,1H3,(H2,21,28)(H,24,25,26)
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n/an/a 90n/an/an/an/an/an/a



NAVIRE PHARMA, INC.

US Patent


Assay Description
Phosphatase activity of full length wild-type PTPN11(PTPN11-WT) or PTPN11-E76K mutant enzyme was measured using the fluorogenic 6,8-difluoro-4-methyl...


US Patent US10954243 (2021)


BindingDB Entry DOI: 10.7270/Q2S185KT
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 [E76K]


(Homo sapiens (Human))
BDBM516929
PNG
(US11104675, Example 16a | US11104675, Example 16b)
Show SMILES C[C@@H]1OCC2(CCN(CC2)c2cc(=O)n(c(C)n2)-c2ccc(Oc3ccn(C)n3)c(Cl)c2Cl)[C@@H]1N |r,wD:33.38,1.0,(7.32,-3.67,;5.79,-3.83,;5.02,-5.16,;3.51,-4.84,;3.35,-3.31,;2.02,-4.08,;.68,-3.31,;.68,-1.77,;2.02,-1,;3.35,-1.77,;-.65,-1,;-.65,.54,;-1.98,1.31,;-1.98,2.85,;-3.32,.54,;-3.32,-1,;-4.65,-1.77,;-1.98,-1.77,;-4.65,1.31,;-5.99,.54,;-7.32,1.31,;-7.32,2.85,;-8.65,3.62,;-9.99,2.85,;-10.15,1.32,;-11.65,1,;-12.42,2.33,;-13.96,2.49,;-11.39,3.48,;-5.99,3.62,;-5.99,5.16,;-4.65,2.85,;-3.32,3.62,;4.76,-2.68,;5.08,-1.18,)|
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TBA

Assay Description
Phosphatase activity of full length wild-type PTPN11(PTPN11-WT) or PTPN11-E76K mutant enzyme was measured using the fluorogenic 6,8-difluoro-4-methyl...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2GQ71XC
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 [E76K]


(Homo sapiens (Human))
BDBM475734
PNG
(8-(3-(2,3-Dichlorophenyl)-1H-pyrazolo[3,4-b]pyrazi...)
Show SMILES N[C@H]1[C@@H](F)CCC11CCN(CC1)c1cnc2c(n[nH]c2n1)-c1cccc(Cl)c1Cl |r|
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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)


BindingDB Entry DOI: 10.7270/Q2833W4T
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 [E76K]


(Homo sapiens (Human))
BDBM576074
PNG
(8-(3-(2,3-Dichlorophenyl)-1H-pyrazolo [3,4-b] pyra...)
Show SMILES N[C@@H]1[C@H](F)CCC11CCN(CC1)c1cnc2c(n[nH]c2n1)-c1cccc(Cl)c1Cl |r|
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TBA

Assay Description
Phosphatase activity of full length wild-type PTPN11(PTPN11-WT) or PTPN11-E76K mutant enzyme was measured using the fluorogenic 6,8-difluoro-4-methyl...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TB1B4T
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 [E76K]


(Homo sapiens (Human))
BDBM384177
PNG
(8-(3-(2,3-Dichlorophenyl)-1H-pyrazolo[3,4-b]pyrazi...)
Show SMILES NC1[C@H](F)CCC11CCN(CC1)c1cnc2c(n[nH]c2n1)-c1cccc(Cl)c1Cl |r|
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Incyte Corporation



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...


Bioorg Med Chem 15: 6649-58 (2007)


BindingDB Entry DOI: 10.7270/Q2TH8Q0Z
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 [E76K]


(Homo sapiens (Human))
BDBM384184
PNG
(4-(6-(4-(Aminomethyl)-4-methylpiperidin-1-yl)-1H-p...)
Show SMILES CNc1nccc(-c2n[nH]c3nc(cnc23)N2CCC(C)(CN)CC2)c1Cl
Show InChI InChI=1S/C18H23ClN8/c1-18(10-20)4-7-27(8-5-18)12-9-23-15-14(25-26-17(15)24-12)11-3-6-22-16(21-2)13(11)19/h3,6,9H,4-5,7-8,10,20H2,1-2H3,(H,21,22)(H,24,25,26)
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Incyte Corporation



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...


Bioorg Med Chem 15: 6649-58 (2007)


BindingDB Entry DOI: 10.7270/Q2TH8Q0Z
More data for this
Ligand-Target Pair
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