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Patent code US8623906

Compile Data Set for Download or QSAR
Found 70 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))		BDBM111821
PNG
(US8623906, XW2-038H | US9174969, JHE-02-023)
Show SMILES OC(=O)CCC(=O)N1CCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1cccc(Cl)c1
Show InChI InChI=1S/C22H24ClN3O5S/c23-17-2-1-3-18(15-17)24-10-12-25(13-11-24)32(30,31)19-4-5-20-16(14-19)8-9-26(20)21(27)6-7-22(28)29/h1-5,14-15H,6-13H2,(H,28,29)
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n/an/a 700n/an/an/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute, Inc.

US Patent


Assay Description
In vitro Shp2 PTP activity inhibition assay for determination of IC50 was performed with a recombinant GST-Shp2 PTP domain protein using 6,8-difluoro...

US Patent US8623906 (2014)


BindingDB Entry DOI: 10.7270/Q22R3QB4
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM111823
PNG
(BDBM111857 | US8623906, JHE-02-001 | US8623906, JH...)
Show SMILES OC(CC(=O)N1CCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1cccc(Cl)c1)C(O)=O
Show InChI InChI=1S/C22H24ClN3O6S/c23-16-2-1-3-17(13-16)24-8-10-25(11-9-24)33(31,32)18-4-5-19-15(12-18)6-7-26(19)21(28)14-20(27)22(29)30/h1-5,12-13,20,27H,6-11,14H2,(H,29,30)
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n/an/a 1.10E+3n/an/an/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute, Inc.

US Patent


Assay Description
In vitro Shp2 PTP activity inhibition assay for determination of IC50 was performed with a recombinant GST-Shp2 PTP domain protein using 6,8-difluoro...

US Patent US8623906 (2014)


BindingDB Entry DOI: 10.7270/Q22R3QB4
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM111823
PNG
(BDBM111857 | US8623906, JHE-02-001 | US8623906, JH...)
Show SMILES OC(CC(=O)N1CCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1cccc(Cl)c1)C(O)=O
Show InChI InChI=1S/C22H24ClN3O6S/c23-16-2-1-3-17(13-16)24-8-10-25(11-9-24)33(31,32)18-4-5-19-15(12-18)6-7-26(19)21(28)14-20(27)22(29)30/h1-5,12-13,20,27H,6-11,14H2,(H,29,30)
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n/an/a 1.30E+3n/an/an/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute, Inc.

US Patent


Assay Description
In vitro Shp2 PTP activity inhibition assay for determination of IC50 was performed with a recombinant GST-Shp2 PTP domain protein using 6,8-difluoro...

US Patent US8623906 (2014)


BindingDB Entry DOI: 10.7270/Q22R3QB4
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM111822
PNG
(US8623906, XW2-125B | US9174969, XW2-125B)
Show SMILES Cc1ccc(Cl)cc1N1CCN(CC1)S(=O)(=O)c1ccc2N(CCc2c1)C(=O)CCC(O)=O
Show InChI InChI=1S/C23H26ClN3O5S/c1-16-2-3-18(24)15-21(16)25-10-12-26(13-11-25)33(31,32)19-4-5-20-17(14-19)8-9-27(20)22(28)6-7-23(29)30/h2-5,14-15H,6-13H2,1H3,(H,29,30)
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n/an/a 1.50E+3n/an/an/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute, Inc.

US Patent


Assay Description
In vitro Shp2 PTP activity inhibition assay for determination of IC50 was performed with a recombinant GST-Shp2 PTP domain protein using 6,8-difluoro...

US Patent US8623906 (2014)


BindingDB Entry DOI: 10.7270/Q22R3QB4
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM111824
PNG
(US8623906, JHE-02-119 | US9174969, JHE-02-119)
Show SMILES CC1Cc2cc(ccc2N1C(=O)CCC(O)=O)S(=O)(=O)N1CCN(CC1)c1cccc(Cl)c1
Show InChI InChI=1S/C23H26ClN3O5S/c1-16-13-17-14-20(5-6-21(17)27(16)22(28)7-8-23(29)30)33(31,32)26-11-9-25(10-12-26)19-4-2-3-18(24)15-19/h2-6,14-16H,7-13H2,1H3,(H,29,30)
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n/an/a 2.50E+3n/an/an/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute, Inc.

US Patent


Assay Description
In vitro Shp2 PTP activity inhibition assay for determination of IC50 was performed with a recombinant GST-Shp2 PTP domain protein using 6,8-difluoro...

US Patent US8623906 (2014)


BindingDB Entry DOI: 10.7270/Q22R3QB4
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM111832
PNG
(US8623906, JHE-01-129B | US9174969, JHE-01-129B)
Show SMILES OC(=O)CCCC(=O)N1CCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1cccc(Cl)c1
Show InChI InChI=1S/C23H26ClN3O5S/c24-18-3-1-4-19(16-18)25-11-13-26(14-12-25)33(31,32)20-7-8-21-17(15-20)9-10-27(21)22(28)5-2-6-23(29)30/h1,3-4,7-8,15-16H,2,5-6,9-14H2,(H,29,30)
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n/an/a 2.80E+3n/an/an/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute, Inc.

US Patent


Assay Description
In vitro Shp2 PTP activity inhibition assay for determination of IC50 was performed with a recombinant GST-Shp2 PTP domain protein using 6,8-difluoro...

US Patent US8623906 (2014)


BindingDB Entry DOI: 10.7270/Q22R3QB4
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM111826
PNG
(US8623906, JHE-01-129A)
Show SMILES OC(=O)\C=C\C(=O)N1CCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1cccc(Cl)c1
Show InChI InChI=1S/C22H22ClN3O5S/c23-17-2-1-3-18(15-17)24-10-12-25(13-11-24)32(30,31)19-4-5-20-16(14-19)8-9-26(20)21(27)6-7-22(28)29/h1-7,14-15H,8-13H2,(H,28,29)/b7-6+
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n/an/a 2.80E+3n/an/an/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute, Inc.

US Patent


Assay Description
In vitro Shp2 PTP activity inhibition assay for determination of IC50 was performed with a recombinant GST-Shp2 PTP domain protein using 6,8-difluoro...

US Patent US8623906 (2014)


BindingDB Entry DOI: 10.7270/Q22R3QB4
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM111873
PNG
(US8623906, JHE-02-020B | US9174969, JHE-02-020B)
Show SMILES OC(=O)c1cccc(NC(=O)N2CCc3cc(ccc23)S(=O)(=O)N2CCN(CC2)c2cccc(Cl)c2)c1
Show InChI InChI=1S/C26H25ClN4O5S/c27-20-4-2-6-22(17-20)29-11-13-30(14-12-29)37(35,36)23-7-8-24-18(16-23)9-10-31(24)26(34)28-21-5-1-3-19(15-21)25(32)33/h1-8,15-17H,9-14H2,(H,28,34)(H,32,33)
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n/an/a 3.00E+3n/an/an/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute, Inc.

US Patent


Assay Description
In vitro Shp2 PTP activity inhibition assay for determination of IC50 was performed with a recombinant GST-Shp2 PTP domain protein using 6,8-difluoro...

US Patent US8623906 (2014)


BindingDB Entry DOI: 10.7270/Q22R3QB4
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM111828
PNG
(US8623906, JHE-02-065B | US9174969, JHE-02-065B)
Show SMILES Clc1cccc(c1)N1CCN(CC1)S(=O)(=O)c1ccc2N(CCc2c1)C(=O)Nc1ccccc1Cl
Show InChI InChI=1S/C25H24Cl2N4O3S/c26-19-4-3-5-20(17-19)29-12-14-30(15-13-29)35(33,34)21-8-9-24-18(16-21)10-11-31(24)25(32)28-23-7-2-1-6-22(23)27/h1-9,16-17H,10-15H2,(H,28,32)
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n/an/a 3.20E+3n/an/an/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute, Inc.

US Patent


Assay Description
In vitro Shp2 PTP activity inhibition assay for determination of IC50 was performed with a recombinant GST-Shp2 PTP domain protein using 6,8-difluoro...

US Patent US8623906 (2014)


BindingDB Entry DOI: 10.7270/Q22R3QB4
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM111844
PNG
(US8623906, XW2-057 | US9174969, XW2-057)
Show SMILES CCC(=O)N1CCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1cccc(C)c1
Show InChI InChI=1S/C22H27N3O3S/c1-3-22(26)25-10-9-18-16-20(7-8-21(18)25)29(27,28)24-13-11-23(12-14-24)19-6-4-5-17(2)15-19/h4-8,15-16H,3,9-14H2,1-2H3
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n/an/a 3.40E+3n/an/an/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute, Inc.

US Patent


Assay Description
In vitro Shp2 PTP activity inhibition assay for determination of IC50 was performed with a recombinant GST-Shp2 PTP domain protein using 6,8-difluoro...

US Patent US8623906 (2014)


BindingDB Entry DOI: 10.7270/Q22R3QB4
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM111829
PNG
(US8623906, JHE-02-068B | US9174969, JHE-02-068B)
Show SMILES CC(C)c1ccc(NC(=O)N2CCc3cc(ccc23)S(=O)(=O)N2CCN(CC2)c2cccc(Cl)c2)cc1
Show InChI InChI=1S/C28H31ClN4O3S/c1-20(2)21-6-8-24(9-7-21)30-28(34)33-13-12-22-18-26(10-11-27(22)33)37(35,36)32-16-14-31(15-17-32)25-5-3-4-23(29)19-25/h3-11,18-20H,12-17H2,1-2H3,(H,30,34)
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n/an/a 4.10E+3n/an/an/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute, Inc.

US Patent


Assay Description
In vitro Shp2 PTP activity inhibition assay for determination of IC50 was performed with a recombinant GST-Shp2 PTP domain protein using 6,8-difluoro...

US Patent US8623906 (2014)


BindingDB Entry DOI: 10.7270/Q22R3QB4
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM111854
PNG
(US8623906, JHE-02-017C | US9174969, JHE-02-017C)
Show SMILES CC(C)C(NC(=O)N1CCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1cccc(Cl)c1)C(O)=O
Show InChI InChI=1S/C24H29ClN4O5S/c1-16(2)22(23(30)31)26-24(32)29-9-8-17-14-20(6-7-21(17)29)35(33,34)28-12-10-27(11-13-28)19-5-3-4-18(25)15-19/h3-7,14-16,22H,8-13H2,1-2H3,(H,26,32)(H,30,31)
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n/an/a 4.40E+3n/an/an/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute, Inc.

US Patent


Assay Description
In vitro Shp2 PTP activity inhibition assay for determination of IC50 was performed with a recombinant GST-Shp2 PTP domain protein using 6,8-difluoro...

US Patent US8623906 (2014)


BindingDB Entry DOI: 10.7270/Q22R3QB4
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM111865
PNG
(US8623906, JHE-02-019A | US9174969, JHE-02-019A)
Show SMILES CC(C)CC(NC(=O)N1CCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1cccc(Cl)c1)C(O)=O
Show InChI InChI=1S/C25H31ClN4O5S/c1-17(2)14-22(24(31)32)27-25(33)30-9-8-18-15-21(6-7-23(18)30)36(34,35)29-12-10-28(11-13-29)20-5-3-4-19(26)16-20/h3-7,15-17,22H,8-14H2,1-2H3,(H,27,33)(H,31,32)
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n/an/a 4.50E+3n/an/an/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute, Inc.

US Patent


Assay Description
In vitro Shp2 PTP activity inhibition assay for determination of IC50 was performed with a recombinant GST-Shp2 PTP domain protein using 6,8-difluoro...

US Patent US8623906 (2014)


BindingDB Entry DOI: 10.7270/Q22R3QB4
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM111845
PNG
(US8623906, XW2-124B | US9174969, XW2-124B)
Show SMILES OC(=O)CCC(=O)N1CCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C22H23Cl2N3O5S/c23-16-12-17(24)14-18(13-16)25-7-9-26(10-8-25)33(31,32)19-1-2-20-15(11-19)5-6-27(20)21(28)3-4-22(29)30/h1-2,11-14H,3-10H2,(H,29,30)
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n/an/a 4.50E+3n/an/an/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute, Inc.

US Patent


Assay Description
In vitro Shp2 PTP activity inhibition assay for determination of IC50 was performed with a recombinant GST-Shp2 PTP domain protein using 6,8-difluoro...

US Patent US8623906 (2014)


BindingDB Entry DOI: 10.7270/Q22R3QB4
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM111837
PNG
(US8623906, JHE-01-137 | US9174969, JHE-01-137)
Show SMILES OC(=O)CNC(=O)N1CCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1cccc(Cl)c1
Show InChI InChI=1S/C21H23ClN4O5S/c22-16-2-1-3-17(13-16)24-8-10-25(11-9-24)32(30,31)18-4-5-19-15(12-18)6-7-26(19)21(29)23-14-20(27)28/h1-5,12-13H,6-11,14H2,(H,23,29)(H,27,28)
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n/an/a 4.60E+3n/an/an/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute, Inc.

US Patent


Assay Description
In vitro Shp2 PTP activity inhibition assay for determination of IC50 was performed with a recombinant GST-Shp2 PTP domain protein using 6,8-difluoro...

US Patent US8623906 (2014)


BindingDB Entry DOI: 10.7270/Q22R3QB4
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM111851
PNG
(US8623906, XW2-036 | US9174969, XW2-036)
Show SMILES OC(=O)CCC(=O)N1CCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C22H23Cl2N3O5S/c23-18-3-1-16(14-19(18)24)25-9-11-26(12-10-25)33(31,32)17-2-4-20-15(13-17)7-8-27(20)21(28)5-6-22(29)30/h1-4,13-14H,5-12H2,(H,29,30)
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n/an/a 4.60E+3n/an/an/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute, Inc.

US Patent


Assay Description
In vitro Shp2 PTP activity inhibition assay for determination of IC50 was performed with a recombinant GST-Shp2 PTP domain protein using 6,8-difluoro...

US Patent US8623906 (2014)


BindingDB Entry DOI: 10.7270/Q22R3QB4
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM111867
PNG
(US8623906, XW2-038F | US9174969, XW2-038F)
Show SMILES COc1cccc(c1)N1CCN(CC1)S(=O)(=O)c1ccc2N(CCc2c1)C(=O)CCC(O)=O
Show InChI InChI=1S/C23H27N3O6S/c1-32-19-4-2-3-18(16-19)24-11-13-25(14-12-24)33(30,31)20-5-6-21-17(15-20)9-10-26(21)22(27)7-8-23(28)29/h2-6,15-16H,7-14H2,1H3,(H,28,29)
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n/an/a 4.70E+3n/an/an/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute, Inc.

US Patent


Assay Description
In vitro Shp2 PTP activity inhibition assay for determination of IC50 was performed with a recombinant GST-Shp2 PTP domain protein using 6,8-difluoro...

US Patent US8623906 (2014)


BindingDB Entry DOI: 10.7270/Q22R3QB4
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM111863
PNG
(US8623906, JHE-02-017A | US9174969, JHE-02-017A)
Show SMILES OC(=O)CCNC(=O)N1CCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1cccc(Cl)c1
Show InChI InChI=1S/C22H25ClN4O5S/c23-17-2-1-3-18(15-17)25-10-12-26(13-11-25)33(31,32)19-4-5-20-16(14-19)7-9-27(20)22(30)24-8-6-21(28)29/h1-5,14-15H,6-13H2,(H,24,30)(H,28,29)
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n/an/a 4.80E+3n/an/an/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute, Inc.

US Patent


Assay Description
In vitro Shp2 PTP activity inhibition assay for determination of IC50 was performed with a recombinant GST-Shp2 PTP domain protein using 6,8-difluoro...

US Patent US8623906 (2014)


BindingDB Entry DOI: 10.7270/Q22R3QB4
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM111860
PNG
(US8623906, JHE-01-155B | US9174969, JHE-01-155B)
Show SMILES OC(=O)C(=O)N1CCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1cccc(Cl)c1
Show InChI InChI=1S/C20H20ClN3O5S/c21-15-2-1-3-16(13-15)22-8-10-23(11-9-22)30(28,29)17-4-5-18-14(12-17)6-7-24(18)19(25)20(26)27/h1-5,12-13H,6-11H2,(H,26,27)
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n/an/a 4.80E+3n/an/an/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute, Inc.

US Patent


Assay Description
In vitro Shp2 PTP activity inhibition assay for determination of IC50 was performed with a recombinant GST-Shp2 PTP domain protein using 6,8-difluoro...

US Patent US8623906 (2014)


BindingDB Entry DOI: 10.7270/Q22R3QB4
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM111858
PNG
(US8623906, JHE-02-010B | US9174969, JHE-02-010B)
Show SMILES CCOC(=O)C(C)NC(=O)N1CCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1cccc(Cl)c1
Show InChI InChI=1S/C24H29ClN4O5S/c1-3-34-23(30)17(2)26-24(31)29-10-9-18-15-21(7-8-22(18)29)35(32,33)28-13-11-27(12-14-28)20-6-4-5-19(25)16-20/h4-8,15-17H,3,9-14H2,1-2H3,(H,26,31)
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n/an/a 5.10E+3n/an/an/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute, Inc.

US Patent


Assay Description
In vitro Shp2 PTP activity inhibition assay for determination of IC50 was performed with a recombinant GST-Shp2 PTP domain protein using 6,8-difluoro...

US Patent US8623906 (2014)


BindingDB Entry DOI: 10.7270/Q22R3QB4
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM111878
PNG
(US8623906, JHE-02-019B | US9174969, JHE-02-019B)
Show SMILES OC(=O)C(Cc1ccccc1)NC(=O)N1CCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1cccc(Cl)c1
Show InChI InChI=1S/C28H29ClN4O5S/c29-22-7-4-8-23(19-22)31-13-15-32(16-14-31)39(37,38)24-9-10-26-21(18-24)11-12-33(26)28(36)30-25(27(34)35)17-20-5-2-1-3-6-20/h1-10,18-19,25H,11-17H2,(H,30,36)(H,34,35)
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n/an/a 5.40E+3n/an/an/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute, Inc.

US Patent


Assay Description
In vitro Shp2 PTP activity inhibition assay for determination of IC50 was performed with a recombinant GST-Shp2 PTP domain protein using 6,8-difluoro...

US Patent US8623906 (2014)


BindingDB Entry DOI: 10.7270/Q22R3QB4
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM111836
PNG
(US8623906, JF020 | US9174969, JF020)
Show SMILES Clc1cccc(c1)N1CCN(CC1)S(=O)(=O)c1ccc2N(CCc2c1)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C25H23Cl2N3O3S/c26-20-4-1-3-19(15-20)25(31)30-10-9-18-16-23(7-8-24(18)30)34(32,33)29-13-11-28(12-14-29)22-6-2-5-21(27)17-22/h1-8,15-17H,9-14H2
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n/an/a 5.70E+3n/an/an/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute, Inc.

US Patent


Assay Description
In vitro Shp2 PTP activity inhibition assay for determination of IC50 was performed with a recombinant GST-Shp2 PTP domain protein using 6,8-difluoro...

US Patent US8623906 (2014)


BindingDB Entry DOI: 10.7270/Q22R3QB4
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM111831
PNG
(US8623906, JHE-02-068A | US9174969, JHE-02-068A)
Show SMILES Clc1cccc(c1)N1CCN(CC1)S(=O)(=O)c1ccc2N(CCc2c1)C(=O)Nc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C25H23Cl3N4O3S/c26-18-2-1-3-20(15-18)30-10-12-31(13-11-30)36(34,35)21-5-7-24-17(14-21)8-9-32(24)25(33)29-19-4-6-22(27)23(28)16-19/h1-7,14-16H,8-13H2,(H,29,33)
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n/an/a 5.70E+3n/an/an/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute, Inc.

US Patent


Assay Description
In vitro Shp2 PTP activity inhibition assay for determination of IC50 was performed with a recombinant GST-Shp2 PTP domain protein using 6,8-difluoro...

US Patent US8623906 (2014)


BindingDB Entry DOI: 10.7270/Q22R3QB4
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM111850
PNG
(US8623906, JHE-02-012 | US9174969, JHE-02-012)
Show SMILES CCOC(=O)C(CC(C)C)NC(=O)N1CCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1cccc(Cl)c1
Show InChI InChI=1S/C27H35ClN4O5S/c1-4-37-26(33)24(16-19(2)3)29-27(34)32-11-10-20-17-23(8-9-25(20)32)38(35,36)31-14-12-30(13-15-31)22-7-5-6-21(28)18-22/h5-9,17-19,24H,4,10-16H2,1-3H3,(H,29,34)
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n/an/a 6.00E+3n/an/an/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute, Inc.

US Patent


Assay Description
In vitro Shp2 PTP activity inhibition assay for determination of IC50 was performed with a recombinant GST-Shp2 PTP domain protein using 6,8-difluoro...

US Patent US8623906 (2014)


BindingDB Entry DOI: 10.7270/Q22R3QB4
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM111830
PNG
(US8623906, XW2-038A | US8623906, XW3-002 | US91749...)
Show SMILES OC(=O)CCC(=O)N1CCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C22H25N3O5S/c26-21(8-9-22(27)28)25-11-10-17-16-19(6-7-20(17)25)31(29,30)24-14-12-23(13-15-24)18-4-2-1-3-5-18/h1-7,16H,8-15H2,(H,27,28)
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n/an/a 6.10E+3n/an/an/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute, Inc.

US Patent


Assay Description
In vitro Shp2 PTP activity inhibition assay for determination of IC50 was performed with a recombinant GST-Shp2 PTP domain protein using 6,8-difluoro...

US Patent US8623906 (2014)


BindingDB Entry DOI: 10.7270/Q22R3QB4
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM111833
PNG
(US8623906, JF028 | US9174969, JF028)
Show SMILES COc1ccc(cc1)C(=O)N1CCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1cccc(Cl)c1
Show InChI InChI=1S/C26H26ClN3O4S/c1-34-23-7-5-19(6-8-23)26(31)30-12-11-20-17-24(9-10-25(20)30)35(32,33)29-15-13-28(14-16-29)22-4-2-3-21(27)18-22/h2-10,17-18H,11-16H2,1H3
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n/an/a 6.30E+3n/an/an/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute, Inc.

US Patent


Assay Description
In vitro Shp2 PTP activity inhibition assay for determination of IC50 was performed with a recombinant GST-Shp2 PTP domain protein using 6,8-difluoro...

US Patent US8623906 (2014)


BindingDB Entry DOI: 10.7270/Q22R3QB4
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM111847
PNG
(US8623906, JHE-02-017B | US9174969, JHE-02-017B)
Show SMILES CC(NC(=O)N1CCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1cccc(Cl)c1)C(O)=O
Show InChI InChI=1S/C22H25ClN4O5S/c1-15(21(28)29)24-22(30)27-8-7-16-13-19(5-6-20(16)27)33(31,32)26-11-9-25(10-12-26)18-4-2-3-17(23)14-18/h2-6,13-15H,7-12H2,1H3,(H,24,30)(H,28,29)
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n/an/a 6.40E+3n/an/an/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute, Inc.

US Patent


Assay Description
In vitro Shp2 PTP activity inhibition assay for determination of IC50 was performed with a recombinant GST-Shp2 PTP domain protein using 6,8-difluoro...

US Patent US8623906 (2014)


BindingDB Entry DOI: 10.7270/Q22R3QB4
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM111870
PNG
(US8623906, JHE-02-014 | US9174969, JHE-02-014)
Show SMILES CCOC(=O)C(Cc1ccccc1)NC(=O)N1CCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1cccc(Cl)c1
Show InChI InChI=1S/C30H33ClN4O5S/c1-2-40-29(36)27(19-22-7-4-3-5-8-22)32-30(37)35-14-13-23-20-26(11-12-28(23)35)41(38,39)34-17-15-33(16-18-34)25-10-6-9-24(31)21-25/h3-12,20-21,27H,2,13-19H2,1H3,(H,32,37)
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n/an/a 6.90E+3n/an/an/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute, Inc.

US Patent


Assay Description
In vitro Shp2 PTP activity inhibition assay for determination of IC50 was performed with a recombinant GST-Shp2 PTP domain protein using 6,8-difluoro...

US Patent US8623906 (2014)


BindingDB Entry DOI: 10.7270/Q22R3QB4
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM111835
PNG
(US8623906, JF026 | US9174969, JF026)
Show SMILES Clc1cccc(c1)N1CCN(CC1)S(=O)(=O)c1ccc2N(CCc2c1)C(=O)C1CCCC1
Show InChI InChI=1S/C24H28ClN3O3S/c25-20-6-3-7-21(17-20)26-12-14-27(15-13-26)32(30,31)22-8-9-23-19(16-22)10-11-28(23)24(29)18-4-1-2-5-18/h3,6-9,16-18H,1-2,4-5,10-15H2
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n/an/a 6.90E+3n/an/an/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute, Inc.

US Patent


Assay Description
In vitro Shp2 PTP activity inhibition assay for determination of IC50 was performed with a recombinant GST-Shp2 PTP domain protein using 6,8-difluoro...

US Patent US8623906 (2014)


BindingDB Entry DOI: 10.7270/Q22R3QB4
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM111855
PNG
(US8623906, JF023 | US9174969, JF023)
Show SMILES Clc1cccc(c1)N1CCN(CC1)S(=O)(=O)c1ccc2N(CCc2c1)C(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C25H22Cl3N3O3S/c26-19-2-1-3-20(16-19)29-10-12-30(13-11-29)35(33,34)21-5-7-24-17(14-21)8-9-31(24)25(32)18-4-6-22(27)23(28)15-18/h1-7,14-16H,8-13H2
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n/an/a 7.10E+3n/an/an/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute, Inc.

US Patent


Assay Description
In vitro Shp2 PTP activity inhibition assay for determination of IC50 was performed with a recombinant GST-Shp2 PTP domain protein using 6,8-difluoro...

US Patent US8623906 (2014)


BindingDB Entry DOI: 10.7270/Q22R3QB4
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM111843
PNG
(US8623906, JF024 | US9174969, JF024)
Show SMILES Clc1cccc(c1)N1CCN(CC1)S(=O)(=O)c1ccc2N(CCc2c1)C(=O)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C25H22Cl3N3O3S/c26-18-2-1-3-20(15-18)29-10-12-30(13-11-29)35(33,34)21-5-7-24-17(14-21)8-9-31(24)25(32)22-6-4-19(27)16-23(22)28/h1-7,14-16H,8-13H2
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n/an/a 7.60E+3n/an/an/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute, Inc.

US Patent


Assay Description
In vitro Shp2 PTP activity inhibition assay for determination of IC50 was performed with a recombinant GST-Shp2 PTP domain protein using 6,8-difluoro...

US Patent US8623906 (2014)


BindingDB Entry DOI: 10.7270/Q22R3QB4
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM111864
PNG
(US8623906, JHE-02-010C | US9174969, JHE-02-010C)
Show SMILES CCOC(=O)C(NC(=O)N1CCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1cccc(Cl)c1)C(C)C
Show InChI InChI=1S/C26H33ClN4O5S/c1-4-36-25(32)24(18(2)3)28-26(33)31-11-10-19-16-22(8-9-23(19)31)37(34,35)30-14-12-29(13-15-30)21-7-5-6-20(27)17-21/h5-9,16-18,24H,4,10-15H2,1-3H3,(H,28,33)
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n/an/a 7.70E+3n/an/an/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute, Inc.

US Patent


Assay Description
In vitro Shp2 PTP activity inhibition assay for determination of IC50 was performed with a recombinant GST-Shp2 PTP domain protein using 6,8-difluoro...

US Patent US8623906 (2014)


BindingDB Entry DOI: 10.7270/Q22R3QB4
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM111862
PNG
(US8623906, JHE-02-033A | US9174969, JHE-02-033A)
Show SMILES CCCC(=O)N1CCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1cccc(Cl)c1
Show InChI InChI=1S/C22H26ClN3O3S/c1-2-4-22(27)26-10-9-17-15-20(7-8-21(17)26)30(28,29)25-13-11-24(12-14-25)19-6-3-5-18(23)16-19/h3,5-8,15-16H,2,4,9-14H2,1H3
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n/an/a 7.80E+3n/an/an/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute, Inc.

US Patent


Assay Description
In vitro Shp2 PTP activity inhibition assay for determination of IC50 was performed with a recombinant GST-Shp2 PTP domain protein using 6,8-difluoro...

US Patent US8623906 (2014)


BindingDB Entry DOI: 10.7270/Q22R3QB4
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM111842
PNG
(US8623906, JHE-02-063B | US9174969, JHE-02-063B)
Show SMILES Clc1ccc(CC(=O)N2CCc3cc(ccc23)S(=O)(=O)N2CCN(CC2)c2cccc(Cl)c2)cc1
Show InChI InChI=1S/C26H25Cl2N3O3S/c27-21-6-4-19(5-7-21)16-26(32)31-11-10-20-17-24(8-9-25(20)31)35(33,34)30-14-12-29(13-15-30)23-3-1-2-22(28)18-23/h1-9,17-18H,10-16H2
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n/an/a 8.00E+3n/an/an/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute, Inc.

US Patent


Assay Description
In vitro Shp2 PTP activity inhibition assay for determination of IC50 was performed with a recombinant GST-Shp2 PTP domain protein using 6,8-difluoro...

US Patent US8623906 (2014)


BindingDB Entry DOI: 10.7270/Q22R3QB4
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM111852
PNG
(US8623906, JHE-02-035A | US9174969, JHE-02-035A)
Show SMILES COc1cccc(c1)C(=O)N1CCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1cccc(Cl)c1
Show InChI InChI=1S/C26H26ClN3O4S/c1-34-23-7-2-4-20(16-23)26(31)30-11-10-19-17-24(8-9-25(19)30)35(32,33)29-14-12-28(13-15-29)22-6-3-5-21(27)18-22/h2-9,16-18H,10-15H2,1H3
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n/an/a 8.10E+3n/an/an/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute, Inc.

US Patent


Assay Description
In vitro Shp2 PTP activity inhibition assay for determination of IC50 was performed with a recombinant GST-Shp2 PTP domain protein using 6,8-difluoro...

US Patent US8623906 (2014)


BindingDB Entry DOI: 10.7270/Q22R3QB4
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM111856
PNG
(US8623906, JF039 | US9174969, JF039)
Show SMILES Fc1cccc(NC(=O)N2CCc3cc(ccc23)S(=O)(=O)N2CCN(CC2)c2cccc(Cl)c2)c1
Show InChI InChI=1S/C25H24ClFN4O3S/c26-19-3-1-6-22(16-19)29-11-13-30(14-12-29)35(33,34)23-7-8-24-18(15-23)9-10-31(24)25(32)28-21-5-2-4-20(27)17-21/h1-8,15-17H,9-14H2,(H,28,32)
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n/an/a 8.10E+3n/an/an/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute, Inc.

US Patent


Assay Description
In vitro Shp2 PTP activity inhibition assay for determination of IC50 was performed with a recombinant GST-Shp2 PTP domain protein using 6,8-difluoro...

US Patent US8623906 (2014)


BindingDB Entry DOI: 10.7270/Q22R3QB4
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM111841
PNG
(US8623906, JF025 | US9174969, JF025)
Show SMILES Clc1cccc(c1)N1CCN(CC1)S(=O)(=O)c1ccc2N(CCc2c1)C(=O)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C25H22Cl3N3O3S/c26-19-2-1-3-22(16-19)29-8-10-30(11-9-29)35(33,34)23-4-5-24-17(14-23)6-7-31(24)25(32)18-12-20(27)15-21(28)13-18/h1-5,12-16H,6-11H2
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n/an/a 8.20E+3n/an/an/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute, Inc.

US Patent


Assay Description
In vitro Shp2 PTP activity inhibition assay for determination of IC50 was performed with a recombinant GST-Shp2 PTP domain protein using 6,8-difluoro...

US Patent US8623906 (2014)


BindingDB Entry DOI: 10.7270/Q22R3QB4
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM111823
PNG
(BDBM111857 | US8623906, JHE-02-001 | US8623906, JH...)
Show SMILES OC(CC(=O)N1CCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1cccc(Cl)c1)C(O)=O
Show InChI InChI=1S/C22H24ClN3O6S/c23-16-2-1-3-17(13-16)24-8-10-25(11-9-24)33(31,32)18-4-5-19-15(12-18)6-7-26(19)21(28)14-20(27)22(29)30/h1-5,12-13,20,27H,6-11,14H2,(H,29,30)
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n/an/a 8.20E+3n/an/an/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute, Inc.

US Patent


Assay Description
In vitro Shp2 PTP activity inhibition assay for determination of IC50 was performed with a recombinant GST-Shp2 PTP domain protein using 6,8-difluoro...

US Patent US8623906 (2014)


BindingDB Entry DOI: 10.7270/Q22R3QB4
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM111827
PNG
(US8623906, JHE-02-032A | US9174969, JHE-02-032A)
Show SMILES Clc1cccc(NC(=O)N2CCc3cc(ccc23)S(=O)(=O)N2CCN(CC2)c2cccc(Cl)c2)c1
Show InChI InChI=1S/C25H24Cl2N4O3S/c26-19-3-1-5-21(16-19)28-25(32)31-10-9-18-15-23(7-8-24(18)31)35(33,34)30-13-11-29(12-14-30)22-6-2-4-20(27)17-22/h1-8,15-17H,9-14H2,(H,28,32)
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n/an/a 8.30E+3n/an/an/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute, Inc.

US Patent


Assay Description
In vitro Shp2 PTP activity inhibition assay for determination of IC50 was performed with a recombinant GST-Shp2 PTP domain protein using 6,8-difluoro...

US Patent US8623906 (2014)


BindingDB Entry DOI: 10.7270/Q22R3QB4
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM111875
PNG
(US8623906, JHE-02-020A | US9174969, JHE-02-020A)
Show SMILES OC(=O)c1ccccc1NC(=O)N1CCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1cccc(Cl)c1
Show InChI InChI=1S/C26H25ClN4O5S/c27-19-4-3-5-20(17-19)29-12-14-30(15-13-29)37(35,36)21-8-9-24-18(16-21)10-11-31(24)26(34)28-23-7-2-1-6-22(23)25(32)33/h1-9,16-17H,10-15H2,(H,28,34)(H,32,33)
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n/an/a 8.30E+3n/an/an/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute, Inc.

US Patent


Assay Description
In vitro Shp2 PTP activity inhibition assay for determination of IC50 was performed with a recombinant GST-Shp2 PTP domain protein using 6,8-difluoro...

US Patent US8623906 (2014)


BindingDB Entry DOI: 10.7270/Q22R3QB4
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM111853
PNG
(US8623906, JF022 | US9174969, JF022)
Show SMILES Clc1cccc(c1)N1CCN(CC1)S(=O)(=O)c1ccc2N(CCc2c1)C(=O)c1ccccc1
Show InChI InChI=1S/C25H24ClN3O3S/c26-21-7-4-8-22(18-21)27-13-15-28(16-14-27)33(31,32)23-9-10-24-20(17-23)11-12-29(24)25(30)19-5-2-1-3-6-19/h1-10,17-18H,11-16H2
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n/an/a 8.40E+3n/an/an/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute, Inc.

US Patent


Assay Description
In vitro Shp2 PTP activity inhibition assay for determination of IC50 was performed with a recombinant GST-Shp2 PTP domain protein using 6,8-difluoro...

US Patent US8623906 (2014)


BindingDB Entry DOI: 10.7270/Q22R3QB4
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM111848
PNG
(US8623906, JF027 | US9174969, JF027)
Show SMILES Clc1cccc(c1)N1CCN(CC1)S(=O)(=O)c1ccc2N(CCc2c1)C(=O)C1CC1
Show InChI InChI=1S/C22H24ClN3O3S/c23-18-2-1-3-19(15-18)24-10-12-25(13-11-24)30(28,29)20-6-7-21-17(14-20)8-9-26(21)22(27)16-4-5-16/h1-3,6-7,14-16H,4-5,8-13H2
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n/an/a 8.50E+3n/an/an/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute, Inc.

US Patent


Assay Description
In vitro Shp2 PTP activity inhibition assay for determination of IC50 was performed with a recombinant GST-Shp2 PTP domain protein using 6,8-difluoro...

US Patent US8623906 (2014)


BindingDB Entry DOI: 10.7270/Q22R3QB4
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM111859
PNG
(US8623906, JF040 | US9174969, JF040)
Show SMILES FC(F)(F)c1ccccc1NC(=O)N1CCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1cccc(Cl)c1
Show InChI InChI=1S/C26H24ClF3N4O3S/c27-19-4-3-5-20(17-19)32-12-14-33(15-13-32)38(36,37)21-8-9-24-18(16-21)10-11-34(24)25(35)31-23-7-2-1-6-22(23)26(28,29)30/h1-9,16-17H,10-15H2,(H,31,35)
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n/an/a 9.00E+3n/an/an/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute, Inc.

US Patent


Assay Description
In vitro Shp2 PTP activity inhibition assay for determination of IC50 was performed with a recombinant GST-Shp2 PTP domain protein using 6,8-difluoro...

US Patent US8623906 (2014)


BindingDB Entry DOI: 10.7270/Q22R3QB4
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM111877
PNG
(US8623906, XW2-038E | US9174969, XW2-038E)
Show SMILES COc1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1ccc2N(CCc2c1)C(=O)CCC(O)=O
Show InChI InChI=1S/C23H27N3O6S/c1-32-19-4-2-18(3-5-19)24-12-14-25(15-13-24)33(30,31)20-6-7-21-17(16-20)10-11-26(21)22(27)8-9-23(28)29/h2-7,16H,8-15H2,1H3,(H,28,29)
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n/an/a 9.00E+3n/an/an/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute, Inc.

US Patent


Assay Description
In vitro Shp2 PTP activity inhibition assay for determination of IC50 was performed with a recombinant GST-Shp2 PTP domain protein using 6,8-difluoro...

US Patent US8623906 (2014)


BindingDB Entry DOI: 10.7270/Q22R3QB4
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM111849
PNG
(US8623906, XW2-119 | US9174969, XW2-119)
Show SMILES OC(=O)CCC(=O)N1CCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C24H23F6N3O5S/c25-23(26,27)16-12-17(24(28,29)30)14-18(13-16)31-7-9-32(10-8-31)39(37,38)19-1-2-20-15(11-19)5-6-33(20)21(34)3-4-22(35)36/h1-2,11-14H,3-10H2,(H,35,36)
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n/an/a 9.10E+3n/an/an/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute, Inc.

US Patent


Assay Description
In vitro Shp2 PTP activity inhibition assay for determination of IC50 was performed with a recombinant GST-Shp2 PTP domain protein using 6,8-difluoro...

US Patent US8623906 (2014)


BindingDB Entry DOI: 10.7270/Q22R3QB4
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM111869
PNG
(US8623906, JHE-02-010A | US9174969, JHE-02-010A)
Show SMILES CCOC(=O)CCNC(=O)N1CCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1cccc(Cl)c1
Show InChI InChI=1S/C24H29ClN4O5S/c1-2-34-23(30)8-10-26-24(31)29-11-9-18-16-21(6-7-22(18)29)35(32,33)28-14-12-27(13-15-28)20-5-3-4-19(25)17-20/h3-7,16-17H,2,8-15H2,1H3,(H,26,31)
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n/an/a 9.30E+3n/an/an/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute, Inc.

US Patent


Assay Description
In vitro Shp2 PTP activity inhibition assay for determination of IC50 was performed with a recombinant GST-Shp2 PTP domain protein using 6,8-difluoro...

US Patent US8623906 (2014)


BindingDB Entry DOI: 10.7270/Q22R3QB4
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM111881
PNG
(US8623906, JHE-01-169 | US9174969, JHE-01-169)
Show SMILES COCC(=O)N1CCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1cccc(Cl)c1
Show InChI InChI=1S/C21H24ClN3O4S/c1-29-15-21(26)25-8-7-16-13-19(5-6-20(16)25)30(27,28)24-11-9-23(10-12-24)18-4-2-3-17(22)14-18/h2-6,13-14H,7-12,15H2,1H3
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n/an/a 9.60E+3n/an/an/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute, Inc.

US Patent


Assay Description
In vitro Shp2 PTP activity inhibition assay for determination of IC50 was performed with a recombinant GST-Shp2 PTP domain protein using 6,8-difluoro...

US Patent US8623906 (2014)


BindingDB Entry DOI: 10.7270/Q22R3QB4
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM111840
PNG
(US8623906, JHE-02-032B | US9174969, JHE-02-032B)
Show SMILES COc1cccc(NC(=O)N2CCc3cc(ccc23)S(=O)(=O)N2CCN(CC2)c2cccc(Cl)c2)c1
Show InChI InChI=1S/C26H27ClN4O4S/c1-35-23-7-3-5-21(18-23)28-26(32)31-11-10-19-16-24(8-9-25(19)31)36(33,34)30-14-12-29(13-15-30)22-6-2-4-20(27)17-22/h2-9,16-18H,10-15H2,1H3,(H,28,32)
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n/an/a 9.90E+3n/an/an/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute, Inc.

US Patent


Assay Description
In vitro Shp2 PTP activity inhibition assay for determination of IC50 was performed with a recombinant GST-Shp2 PTP domain protein using 6,8-difluoro...

US Patent US8623906 (2014)


BindingDB Entry DOI: 10.7270/Q22R3QB4
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM111861
PNG
(US8623906, JF021 | US9174969, JF021)
Show SMILES Clc1ccc(cc1)C(=O)N1CCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1cccc(Cl)c1
Show InChI InChI=1S/C25H23Cl2N3O3S/c26-20-6-4-18(5-7-20)25(31)30-11-10-19-16-23(8-9-24(19)30)34(32,33)29-14-12-28(13-15-29)22-3-1-2-21(27)17-22/h1-9,16-17H,10-15H2
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n/an/a 1.04E+4n/an/an/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute, Inc.

US Patent


Assay Description
In vitro Shp2 PTP activity inhibition assay for determination of IC50 was performed with a recombinant GST-Shp2 PTP domain protein using 6,8-difluoro...

US Patent US8623906 (2014)


BindingDB Entry DOI: 10.7270/Q22R3QB4
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM111872
PNG
(US8623906, XW2-031B | US9174969, XW2-031B)
Show SMILES OC(=O)CCC(=O)N1CCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C23H24F3N3O5S/c24-23(25,26)17-2-1-3-18(15-17)27-10-12-28(13-11-27)35(33,34)19-4-5-20-16(14-19)8-9-29(20)21(30)6-7-22(31)32/h1-5,14-15H,6-13H2,(H,31,32)
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n/an/a 1.13E+4n/an/an/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute, Inc.

US Patent


Assay Description
In vitro Shp2 PTP activity inhibition assay for determination of IC50 was performed with a recombinant GST-Shp2 PTP domain protein using 6,8-difluoro...

US Patent US8623906 (2014)


BindingDB Entry DOI: 10.7270/Q22R3QB4
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM111868
PNG
(US8623906, JF033 | US9174969, JF033)
Show SMILES Clc1cccc(c1)N1CCN(CC1)S(=O)(=O)c1ccc2N(CCc2c1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C25H25ClN4O3S/c26-20-5-4-8-22(18-20)28-13-15-29(16-14-28)34(32,33)23-9-10-24-19(17-23)11-12-30(24)25(31)27-21-6-2-1-3-7-21/h1-10,17-18H,11-16H2,(H,27,31)
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n/an/a 1.17E+4n/an/an/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute, Inc.

US Patent


Assay Description
In vitro Shp2 PTP activity inhibition assay for determination of IC50 was performed with a recombinant GST-Shp2 PTP domain protein using 6,8-difluoro...

US Patent US8623906 (2014)


BindingDB Entry DOI: 10.7270/Q22R3QB4
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM111866
PNG
(US8623906, JF035 | US9174969, JF035)
Show SMILES Fc1ccccc1NC(=O)N1CCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1cccc(Cl)c1
Show InChI InChI=1S/C25H24ClFN4O3S/c26-19-4-3-5-20(17-19)29-12-14-30(15-13-29)35(33,34)21-8-9-24-18(16-21)10-11-31(24)25(32)28-23-7-2-1-6-22(23)27/h1-9,16-17H,10-15H2,(H,28,32)
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n/an/a 1.22E+4n/an/an/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute, Inc.

US Patent


Assay Description
In vitro Shp2 PTP activity inhibition assay for determination of IC50 was performed with a recombinant GST-Shp2 PTP domain protein using 6,8-difluoro...

US Patent US8623906 (2014)


BindingDB Entry DOI: 10.7270/Q22R3QB4
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM111846
PNG
(US8623906, JF038 | US9174969, JF038)
Show SMILES Fc1ccc(NC(=O)N2CCc3cc(ccc23)S(=O)(=O)N2CCN(CC2)c2cccc(Cl)c2)cc1
Show InChI InChI=1S/C25H24ClFN4O3S/c26-19-2-1-3-22(17-19)29-12-14-30(15-13-29)35(33,34)23-8-9-24-18(16-23)10-11-31(24)25(32)28-21-6-4-20(27)5-7-21/h1-9,16-17H,10-15H2,(H,28,32)
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n/an/a 1.26E+4n/an/an/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute, Inc.

US Patent


Assay Description
In vitro Shp2 PTP activity inhibition assay for determination of IC50 was performed with a recombinant GST-Shp2 PTP domain protein using 6,8-difluoro...

US Patent US8623906 (2014)


BindingDB Entry DOI: 10.7270/Q22R3QB4
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM111871
PNG
(US8623906, JHE-02-029A | US9174969, JHE-02-029A)
Show SMILES CCC(C)C(NC(=O)N1CCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1cccc(Cl)c1)C(=O)OC
Show InChI InChI=1S/C26H33ClN4O5S/c1-4-18(2)24(25(32)36-3)28-26(33)31-11-10-19-16-22(8-9-23(19)31)37(34,35)30-14-12-29(13-15-30)21-7-5-6-20(27)17-21/h5-9,16-18,24H,4,10-15H2,1-3H3,(H,28,33)
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n/an/a 1.27E+4n/an/an/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute, Inc.

US Patent


Assay Description
In vitro Shp2 PTP activity inhibition assay for determination of IC50 was performed with a recombinant GST-Shp2 PTP domain protein using 6,8-difluoro...

US Patent US8623906 (2014)


BindingDB Entry DOI: 10.7270/Q22R3QB4
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM111874
PNG
(US8623906, XW2-124A | US9174969, XW2-124A)
Show SMILES OC(=O)CCC(=O)N1CCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1cccc(F)c1
Show InChI InChI=1S/C22H24FN3O5S/c23-17-2-1-3-18(15-17)24-10-12-25(13-11-24)32(30,31)19-4-5-20-16(14-19)8-9-26(20)21(27)6-7-22(28)29/h1-5,14-15H,6-13H2,(H,28,29)
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n/an/a 1.32E+4n/an/an/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute, Inc.

US Patent


Assay Description
In vitro Shp2 PTP activity inhibition assay for determination of IC50 was performed with a recombinant GST-Shp2 PTP domain protein using 6,8-difluoro...

US Patent US8623906 (2014)


BindingDB Entry DOI: 10.7270/Q22R3QB4
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM111879
PNG
(US8623906, JHE-02-015A | US9174969, JHE-02-015A)
Show SMILES COC(=O)c1ccccc1NC(=O)N1CCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1cccc(Cl)c1
Show InChI InChI=1S/C27H27ClN4O5S/c1-37-26(33)23-7-2-3-8-24(23)29-27(34)32-12-11-19-17-22(9-10-25(19)32)38(35,36)31-15-13-30(14-16-31)21-6-4-5-20(28)18-21/h2-10,17-18H,11-16H2,1H3,(H,29,34)
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n/an/a 1.43E+4n/an/an/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute, Inc.

US Patent


Assay Description
In vitro Shp2 PTP activity inhibition assay for determination of IC50 was performed with a recombinant GST-Shp2 PTP domain protein using 6,8-difluoro...

US Patent US8623906 (2014)


BindingDB Entry DOI: 10.7270/Q22R3QB4
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM111830
PNG
(US8623906, XW2-038A | US8623906, XW3-002 | US91749...)
Show SMILES OC(=O)CCC(=O)N1CCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C22H25N3O5S/c26-21(8-9-22(27)28)25-11-10-17-16-19(6-7-20(17)25)31(29,30)24-14-12-23(13-15-24)18-4-2-1-3-5-18/h1-7,16H,8-15H2,(H,27,28)
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n/an/a 1.48E+4n/an/an/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute, Inc.

US Patent


Assay Description
In vitro Shp2 PTP activity inhibition assay for determination of IC50 was performed with a recombinant GST-Shp2 PTP domain protein using 6,8-difluoro...

US Patent US8623906 (2014)


BindingDB Entry DOI: 10.7270/Q22R3QB4
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM111839
PNG
(US8623906, JHE-02-038 | US9174969, JHE-02-038)
Show SMILES CCC(C)C(NC(=O)N1CCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1cccc(Cl)c1)C(O)=O
Show InChI InChI=1S/C25H31ClN4O5S/c1-3-17(2)23(24(31)32)27-25(33)30-10-9-18-15-21(7-8-22(18)30)36(34,35)29-13-11-28(12-14-29)20-6-4-5-19(26)16-20/h4-8,15-17,23H,3,9-14H2,1-2H3,(H,27,33)(H,31,32)
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n/an/a 1.55E+4n/an/an/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute, Inc.

US Patent


Assay Description
In vitro Shp2 PTP activity inhibition assay for determination of IC50 was performed with a recombinant GST-Shp2 PTP domain protein using 6,8-difluoro...

US Patent US8623906 (2014)


BindingDB Entry DOI: 10.7270/Q22R3QB4
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM111880
PNG
(US8623906, XW3-006 | US9174969, XW3-006)
Show SMILES Cc1ccc(cc1Cl)N1CCN(CC1)S(=O)(=O)c1ccc2N(CCc2c1)C(=O)CCC(O)=O
Show InChI InChI=1S/C23H26ClN3O5S/c1-16-2-3-18(15-20(16)24)25-10-12-26(13-11-25)33(31,32)19-4-5-21-17(14-19)8-9-27(21)22(28)6-7-23(29)30/h2-5,14-15H,6-13H2,1H3,(H,29,30)
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n/an/a 1.66E+4n/an/an/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute, Inc.

US Patent


Assay Description
In vitro Shp2 PTP activity inhibition assay for determination of IC50 was performed with a recombinant GST-Shp2 PTP domain protein using 6,8-difluoro...

US Patent US8623906 (2014)


BindingDB Entry DOI: 10.7270/Q22R3QB4
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM111834
PNG
(US8623906, JHE-02-065A | US9174969, JHE-02-065A)
Show SMILES Clc1ccc(NC(=O)N2CCc3cc(ccc23)S(=O)(=O)N2CCN(CC2)c2cccc(Cl)c2)cc1
Show InChI InChI=1S/C25H24Cl2N4O3S/c26-19-4-6-21(7-5-19)28-25(32)31-11-10-18-16-23(8-9-24(18)31)35(33,34)30-14-12-29(13-15-30)22-3-1-2-20(27)17-22/h1-9,16-17H,10-15H2,(H,28,32)
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n/an/a 1.91E+4n/an/an/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute, Inc.

US Patent


Assay Description
In vitro Shp2 PTP activity inhibition assay for determination of IC50 was performed with a recombinant GST-Shp2 PTP domain protein using 6,8-difluoro...

US Patent US8623906 (2014)


BindingDB Entry DOI: 10.7270/Q22R3QB4
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM111876
PNG
(US8623906, JHE-02-007 | US9174969, JHE-02-007)
Show SMILES OC(=O)C1CC=CCC1C(=O)N1CCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1cccc(Cl)c1 |c:5|
Show InChI InChI=1S/C26H28ClN3O5S/c27-19-4-3-5-20(17-19)28-12-14-29(15-13-28)36(34,35)21-8-9-24-18(16-21)10-11-30(24)25(31)22-6-1-2-7-23(22)26(32)33/h1-5,8-9,16-17,22-23H,6-7,10-15H2,(H,32,33)
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n/an/a 2.03E+4n/an/an/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute, Inc.

US Patent


Assay Description
In vitro Shp2 PTP activity inhibition assay for determination of IC50 was performed with a recombinant GST-Shp2 PTP domain protein using 6,8-difluoro...

US Patent US8623906 (2014)


BindingDB Entry DOI: 10.7270/Q22R3QB4
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM111838
PNG
(US8623906, JHE-02-033B | US9174969, JHE-02-033B)
Show SMILES CC(C)CC(=O)N1CCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1cccc(Cl)c1
Show InChI InChI=1S/C23H28ClN3O3S/c1-17(2)14-23(28)27-9-8-18-15-21(6-7-22(18)27)31(29,30)26-12-10-25(11-13-26)20-5-3-4-19(24)16-20/h3-7,15-17H,8-14H2,1-2H3
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n/an/a 2.07E+4n/an/an/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute, Inc.

US Patent


Assay Description
In vitro Shp2 PTP activity inhibition assay for determination of IC50 was performed with a recombinant GST-Shp2 PTP domain protein using 6,8-difluoro...

US Patent US8623906 (2014)


BindingDB Entry DOI: 10.7270/Q22R3QB4
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM111882
PNG
(US8623906, JF031 | US9174969, JF031)
Show SMILES Clc1cccc(c1)N1CCN(CC1)S(=O)(=O)c1ccc2N(CCc2c1)C(=O)Cc1ccccc1
Show InChI InChI=1S/C26H26ClN3O3S/c27-22-7-4-8-23(19-22)28-13-15-29(16-14-28)34(32,33)24-9-10-25-21(18-24)11-12-30(25)26(31)17-20-5-2-1-3-6-20/h1-10,18-19H,11-17H2
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n/an/a 2.28E+4n/an/an/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute, Inc.

US Patent


Assay Description
In vitro Shp2 PTP activity inhibition assay for determination of IC50 was performed with a recombinant GST-Shp2 PTP domain protein using 6,8-difluoro...

US Patent US8623906 (2014)


BindingDB Entry DOI: 10.7270/Q22R3QB4
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM53574
PNG
(4-[5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-2,...)
Show SMILES OC(=O)CCC(=O)N1CCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1ccc(F)cc1
Show InChI InChI=1S/C22H24FN3O5S/c23-17-1-3-18(4-2-17)24-11-13-25(14-12-24)32(30,31)19-5-6-20-16(15-19)9-10-26(20)21(27)7-8-22(28)29/h1-6,15H,7-14H2,(H,28,29)
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n/an/a 3.19E+4n/an/an/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute, Inc.

US Patent


Assay Description
In vitro Shp2 PTP activity inhibition assay for determination of IC50 was performed with a recombinant GST-Shp2 PTP domain protein using 6,8-difluoro...

US Patent US8623906 (2014)


BindingDB Entry DOI: 10.7270/Q22R3QB4
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM111887
PNG
(US8623906, XW2-038D | US9174969, XW2-038D)
Show SMILES OC(=O)CCC(=O)N1CCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1ccccc1F
Show InChI InChI=1S/C22H24FN3O5S/c23-18-3-1-2-4-20(18)24-11-13-25(14-12-24)32(30,31)17-5-6-19-16(15-17)9-10-26(19)21(27)7-8-22(28)29/h1-6,15H,7-14H2,(H,28,29)
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n/an/a 3.46E+4n/an/an/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute, Inc.

US Patent


Assay Description
In vitro Shp2 PTP activity inhibition assay for determination of IC50 was performed with a recombinant GST-Shp2 PTP domain protein using 6,8-difluoro...

US Patent US8623906 (2014)


BindingDB Entry DOI: 10.7270/Q22R3QB4
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM111885
PNG
(US8623906, JHE-02-023)
Show SMILES OC(=O)CCC(=O)N1CCCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1cccc(Cl)c1
Show InChI InChI=1S/C23H26ClN3O5S/c24-18-4-1-5-19(16-18)25-11-13-26(14-12-25)33(31,32)20-6-7-21-17(15-20)3-2-10-27(21)22(28)8-9-23(29)30/h1,4-7,15-16H,2-3,8-14H2,(H,29,30)
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n/an/a 3.73E+4n/an/an/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute, Inc.

US Patent


Assay Description
In vitro Shp2 PTP activity inhibition assay for determination of IC50 was performed with a recombinant GST-Shp2 PTP domain protein using 6,8-difluoro...

US Patent US8623906 (2014)


BindingDB Entry DOI: 10.7270/Q22R3QB4
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM111888
PNG
(US8623906, JHE-02-052 | US9174969, JHE-02-052)
Show SMILES OC(=O)CCC(NC(=O)N1CCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1cccc(Cl)c1)C(O)=O
Show InChI InChI=1S/C24H27ClN4O7S/c25-17-2-1-3-18(15-17)27-10-12-28(13-11-27)37(35,36)19-4-6-21-16(14-19)8-9-29(21)24(34)26-20(23(32)33)5-7-22(30)31/h1-4,6,14-15,20H,5,7-13H2,(H,26,34)(H,30,31)(H,32,33)
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n/an/a 3.76E+4n/an/an/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute, Inc.

US Patent


Assay Description
In vitro Shp2 PTP activity inhibition assay for determination of IC50 was performed with a recombinant GST-Shp2 PTP domain protein using 6,8-difluoro...

US Patent US8623906 (2014)


BindingDB Entry DOI: 10.7270/Q22R3QB4
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM111883
PNG
(US8623906, JHE-02-117 | US9174969, JHE-02-117)
Show SMILES CC1Cc2cc(ccc2N1C(=O)C(F)(F)F)S(=O)(=O)N1CCN(CC1)c1cccc(Cl)c1
Show InChI InChI=1S/C21H21ClF3N3O3S/c1-14-11-15-12-18(5-6-19(15)28(14)20(29)21(23,24)25)32(30,31)27-9-7-26(8-10-27)17-4-2-3-16(22)13-17/h2-6,12-14H,7-11H2,1H3
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n/an/a 4.70E+4n/an/an/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute, Inc.

US Patent


Assay Description
In vitro Shp2 PTP activity inhibition assay for determination of IC50 was performed with a recombinant GST-Shp2 PTP domain protein using 6,8-difluoro...

US Patent US8623906 (2014)


BindingDB Entry DOI: 10.7270/Q22R3QB4
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM111889
PNG
(US8623906, JHE-01-134A | US9174969, JHE-01-134A)
Show SMILES CCOC(=O)CNC(=O)N1CCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1cccc(Cl)c1
Show InChI InChI=1S/C23H27ClN4O5S/c1-2-33-22(29)16-25-23(30)28-9-8-17-14-20(6-7-21(17)28)34(31,32)27-12-10-26(11-13-27)19-5-3-4-18(24)15-19/h3-7,14-15H,2,8-13,16H2,1H3,(H,25,30)
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n/an/a 6.03E+4n/an/an/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute, Inc.

US Patent


Assay Description
In vitro Shp2 PTP activity inhibition assay for determination of IC50 was performed with a recombinant GST-Shp2 PTP domain protein using 6,8-difluoro...

US Patent US8623906 (2014)


BindingDB Entry DOI: 10.7270/Q22R3QB4
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM111890
PNG
(US8623906, XW2-038G | US9174969, XW2-038G)
Show SMILES OC(=O)CCC(=O)N1CCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C22H23Cl2N3O5S/c23-17-2-1-3-19(22(17)24)25-10-12-26(13-11-25)33(31,32)16-4-5-18-15(14-16)8-9-27(18)20(28)6-7-21(29)30/h1-5,14H,6-13H2,(H,29,30)
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US Patent
n/an/a 1.44E+5n/an/an/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute, Inc.

US Patent


Assay Description
In vitro Shp2 PTP activity inhibition assay for determination of IC50 was performed with a recombinant GST-Shp2 PTP domain protein using 6,8-difluoro...

US Patent US8623906 (2014)


BindingDB Entry DOI: 10.7270/Q22R3QB4
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%