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Patent code US9174969

Compile Data Set for Download or QSAR
Found 73 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



UNIVERSITY OF SOUTH FLORIDA

US Patent


Assay Description
IC50 values for indoline Shp2 inhibitors of the present invention, as determined by in vitro phosphotyrosine phosphatase activity (DiFMUP) assay.

US Patent US9174969 (2015)


BindingDB Entry DOI: 10.7270/Q20R9N65
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



UNIVERSITY OF SOUTH FLORIDA

US Patent


Assay Description
IC50 values for indoline Shp2 inhibitors of the present invention, as determined by in vitro phosphotyrosine phosphatase activity (DiFMUP) assay.

US Patent US9174969 (2015)


BindingDB Entry DOI: 10.7270/Q20R9N65
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



UNIVERSITY OF SOUTH FLORIDA

US Patent


Assay Description
IC50 values for indoline Shp2 inhibitors of the present invention, as determined by in vitro phosphotyrosine phosphatase activity (DiFMUP) assay.

US Patent US9174969 (2015)


BindingDB Entry DOI: 10.7270/Q20R9N65
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



UNIVERSITY OF SOUTH FLORIDA

US Patent


Assay Description
IC50 values for indoline Shp2 inhibitors of the present invention, as determined by in vitro phosphotyrosine phosphatase activity (DiFMUP) assay.

US Patent US9174969 (2015)


BindingDB Entry DOI: 10.7270/Q20R9N65
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM189410
PNG
(US9174969, CDL 4340-0580)
Show SMILES CCOc1ccc(NC(=O)CN2C(=O)\C(=C3/SC(=S)C(CCS([O-])(=O)=O)C3=O)c3ccccc23)cc1
Show InChI InChI=1S/C24H22N2O7S3/c1-2-33-15-9-7-14(8-10-15)25-19(27)13-26-18-6-4-3-5-16(18)20(23(26)29)22-21(28)17(24(34)35-22)11-12-36(30,31)32/h3-10,17H,2,11-13H2,1H3,(H,25,27)(H,30,31,32)/p-1/b22-20-
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n/an/a 2.20E+3n/an/an/an/an/an/a



UNIVERSITY OF SOUTH FLORIDA

US Patent


Assay Description
IC50 values for indoline Shp2 inhibitors of the present invention, as determined by in vitro phosphotyrosine phosphatase activity (DiFMUP) assay.

US Patent US9174969 (2015)


BindingDB Entry DOI: 10.7270/Q20R9N65
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



UNIVERSITY OF SOUTH FLORIDA

US Patent


Assay Description
IC50 values for indoline Shp2 inhibitors of the present invention, as determined by in vitro phosphotyrosine phosphatase activity (DiFMUP) assay.

US Patent US9174969 (2015)


BindingDB Entry DOI: 10.7270/Q20R9N65
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM189411
PNG
(US9174969, NAT6-297775)
Show SMILES C(NC1COC2C1OC[C@@H]2n1nnnc1-c1cccc(CN2CCCC2)c1)C1CCCCC1 |r|
Show InChI InChI=1S/C25H36N6O2/c1-2-7-18(8-3-1)14-26-21-16-32-24-22(17-33-23(21)24)31-25(27-28-29-31)20-10-6-9-19(13-20)15-30-11-4-5-12-30/h6,9-10,13,18,21-24,26H,1-5,7-8,11-12,14-17H2/t21?,22-,23?,24?/m0/s1
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n/an/a 2.50E+3n/an/an/an/an/an/a



UNIVERSITY OF SOUTH FLORIDA

US Patent


Assay Description
IC50 values for indoline Shp2 inhibitors of the present invention, as determined by in vitro phosphotyrosine phosphatase activity (DiFMUP) assay.

US Patent US9174969 (2015)


BindingDB Entry DOI: 10.7270/Q20R9N65
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



UNIVERSITY OF SOUTH FLORIDA

US Patent


Assay Description
IC50 values for indoline Shp2 inhibitors of the present invention, as determined by in vitro phosphotyrosine phosphatase activity (DiFMUP) assay.

US Patent US9174969 (2015)


BindingDB Entry DOI: 10.7270/Q20R9N65
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM189409
PNG
(US9174969, 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



UNIVERSITY OF SOUTH FLORIDA

US Patent


Assay Description
IC50 values for indoline Shp2 inhibitors of the present invention, as determined by in vitro phosphotyrosine phosphatase activity (DiFMUP) assay.

US Patent US9174969 (2015)


BindingDB Entry DOI: 10.7270/Q20R9N65
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



UNIVERSITY OF SOUTH FLORIDA

US Patent


Assay Description
IC50 values for indoline Shp2 inhibitors of the present invention, as determined by in vitro phosphotyrosine phosphatase activity (DiFMUP) assay.

US Patent US9174969 (2015)


BindingDB Entry DOI: 10.7270/Q20R9N65
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



UNIVERSITY OF SOUTH FLORIDA

US Patent


Assay Description
IC50 values for indoline Shp2 inhibitors of the present invention, as determined by in vitro phosphotyrosine phosphatase activity (DiFMUP) assay.

US Patent US9174969 (2015)


BindingDB Entry DOI: 10.7270/Q20R9N65
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



UNIVERSITY OF SOUTH FLORIDA

US Patent


Assay Description
IC50 values for indoline Shp2 inhibitors of the present invention, as determined by in vitro phosphotyrosine phosphatase activity (DiFMUP) assay.

US Patent US9174969 (2015)


BindingDB Entry DOI: 10.7270/Q20R9N65
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



UNIVERSITY OF SOUTH FLORIDA

US Patent


Assay Description
IC50 values for indoline Shp2 inhibitors of the present invention, as determined by in vitro phosphotyrosine phosphatase activity (DiFMUP) assay.

US Patent US9174969 (2015)


BindingDB Entry DOI: 10.7270/Q20R9N65
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



UNIVERSITY OF SOUTH FLORIDA

US Patent


Assay Description
IC50 values for indoline Shp2 inhibitors of the present invention, as determined by in vitro phosphotyrosine phosphatase activity (DiFMUP) assay.

US Patent US9174969 (2015)


BindingDB Entry DOI: 10.7270/Q20R9N65
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



UNIVERSITY OF SOUTH FLORIDA

US Patent


Assay Description
IC50 values for indoline Shp2 inhibitors of the present invention, as determined by in vitro phosphotyrosine phosphatase activity (DiFMUP) assay.

US Patent US9174969 (2015)


BindingDB Entry DOI: 10.7270/Q20R9N65
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



UNIVERSITY OF SOUTH FLORIDA

US Patent


Assay Description
IC50 values for indoline Shp2 inhibitors of the present invention, as determined by in vitro phosphotyrosine phosphatase activity (DiFMUP) assay.

US Patent US9174969 (2015)


BindingDB Entry DOI: 10.7270/Q20R9N65
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



UNIVERSITY OF SOUTH FLORIDA

US Patent


Assay Description
IC50 values for indoline Shp2 inhibitors of the present invention, as determined by in vitro phosphotyrosine phosphatase activity (DiFMUP) assay.

US Patent US9174969 (2015)


BindingDB Entry DOI: 10.7270/Q20R9N65
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



UNIVERSITY OF SOUTH FLORIDA

US Patent


Assay Description
IC50 values for indoline Shp2 inhibitors of the present invention, as determined by in vitro phosphotyrosine phosphatase activity (DiFMUP) assay.

US Patent US9174969 (2015)


BindingDB Entry DOI: 10.7270/Q20R9N65
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



UNIVERSITY OF SOUTH FLORIDA

US Patent


Assay Description
IC50 values for indoline Shp2 inhibitors of the present invention, as determined by in vitro phosphotyrosine phosphatase activity (DiFMUP) assay.

US Patent US9174969 (2015)


BindingDB Entry DOI: 10.7270/Q20R9N65
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



UNIVERSITY OF SOUTH FLORIDA

US Patent


Assay Description
IC50 values for indoline Shp2 inhibitors of the present invention, as determined by in vitro phosphotyrosine phosphatase activity (DiFMUP) assay.

US Patent US9174969 (2015)


BindingDB Entry DOI: 10.7270/Q20R9N65
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



UNIVERSITY OF SOUTH FLORIDA

US Patent


Assay Description
IC50 values for indoline Shp2 inhibitors of the present invention, as determined by in vitro phosphotyrosine phosphatase activity (DiFMUP) assay.

US Patent US9174969 (2015)


BindingDB Entry DOI: 10.7270/Q20R9N65
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



UNIVERSITY OF SOUTH FLORIDA

US Patent


Assay Description
IC50 values for indoline Shp2 inhibitors of the present invention, as determined by in vitro phosphotyrosine phosphatase activity (DiFMUP) assay.

US Patent US9174969 (2015)


BindingDB Entry DOI: 10.7270/Q20R9N65
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



UNIVERSITY OF SOUTH FLORIDA

US Patent


Assay Description
IC50 values for indoline Shp2 inhibitors of the present invention, as determined by in vitro phosphotyrosine phosphatase activity (DiFMUP) assay.

US Patent US9174969 (2015)


BindingDB Entry DOI: 10.7270/Q20R9N65
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



UNIVERSITY OF SOUTH FLORIDA

US Patent


Assay Description
IC50 values for indoline Shp2 inhibitors of the present invention, as determined by in vitro phosphotyrosine phosphatase activity (DiFMUP) assay.

US Patent US9174969 (2015)


BindingDB Entry DOI: 10.7270/Q20R9N65
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



UNIVERSITY OF SOUTH FLORIDA

US Patent


Assay Description
IC50 values for indoline Shp2 inhibitors of the present invention, as determined by in vitro phosphotyrosine phosphatase activity (DiFMUP) assay.

US Patent US9174969 (2015)


BindingDB Entry DOI: 10.7270/Q20R9N65
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



UNIVERSITY OF SOUTH FLORIDA

US Patent


Assay Description
IC50 values for indoline Shp2 inhibitors of the present invention, as determined by in vitro phosphotyrosine phosphatase activity (DiFMUP) assay.

US Patent US9174969 (2015)


BindingDB Entry DOI: 10.7270/Q20R9N65
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



UNIVERSITY OF SOUTH FLORIDA

US Patent


Assay Description
IC50 values for indoline Shp2 inhibitors of the present invention, as determined by in vitro phosphotyrosine phosphatase activity (DiFMUP) assay.

US Patent US9174969 (2015)


BindingDB Entry DOI: 10.7270/Q20R9N65
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



UNIVERSITY OF SOUTH FLORIDA

US Patent


Assay Description
IC50 values for indoline Shp2 inhibitors of the present invention, as determined by in vitro phosphotyrosine phosphatase activity (DiFMUP) assay.

US Patent US9174969 (2015)


BindingDB Entry DOI: 10.7270/Q20R9N65
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



UNIVERSITY OF SOUTH FLORIDA

US Patent


Assay Description
IC50 values for indoline Shp2 inhibitors of the present invention, as determined by in vitro phosphotyrosine phosphatase activity (DiFMUP) assay.

US Patent US9174969 (2015)


BindingDB Entry DOI: 10.7270/Q20R9N65
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



UNIVERSITY OF SOUTH FLORIDA

US Patent


Assay Description
IC50 values for indoline Shp2 inhibitors of the present invention, as determined by in vitro phosphotyrosine phosphatase activity (DiFMUP) assay.

US Patent US9174969 (2015)


BindingDB Entry DOI: 10.7270/Q20R9N65
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



UNIVERSITY OF SOUTH FLORIDA

US Patent


Assay Description
IC50 values for indoline Shp2 inhibitors of the present invention, as determined by in vitro phosphotyrosine phosphatase activity (DiFMUP) assay.

US Patent US9174969 (2015)


BindingDB Entry DOI: 10.7270/Q20R9N65
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



UNIVERSITY OF SOUTH FLORIDA

US Patent


Assay Description
IC50 values for indoline Shp2 inhibitors of the present invention, as determined by in vitro phosphotyrosine phosphatase activity (DiFMUP) assay.

US Patent US9174969 (2015)


BindingDB Entry DOI: 10.7270/Q20R9N65
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



UNIVERSITY OF SOUTH FLORIDA

US Patent


Assay Description
IC50 values for indoline Shp2 inhibitors of the present invention, as determined by in vitro phosphotyrosine phosphatase activity (DiFMUP) assay.

US Patent US9174969 (2015)


BindingDB Entry DOI: 10.7270/Q20R9N65
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



UNIVERSITY OF SOUTH FLORIDA

US Patent


Assay Description
IC50 values for indoline Shp2 inhibitors of the present invention, as determined by in vitro phosphotyrosine phosphatase activity (DiFMUP) assay.

US Patent US9174969 (2015)


BindingDB Entry DOI: 10.7270/Q20R9N65
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



UNIVERSITY OF SOUTH FLORIDA

US Patent


Assay Description
IC50 values for indoline Shp2 inhibitors of the present invention, as determined by in vitro phosphotyrosine phosphatase activity (DiFMUP) assay.

US Patent US9174969 (2015)


BindingDB Entry DOI: 10.7270/Q20R9N65
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



UNIVERSITY OF SOUTH FLORIDA

US Patent


Assay Description
IC50 values for indoline Shp2 inhibitors of the present invention, as determined by in vitro phosphotyrosine phosphatase activity (DiFMUP) assay.

US Patent US9174969 (2015)


BindingDB Entry DOI: 10.7270/Q20R9N65
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



UNIVERSITY OF SOUTH FLORIDA

US Patent


Assay Description
IC50 values for indoline Shp2 inhibitors of the present invention, as determined by in vitro phosphotyrosine phosphatase activity (DiFMUP) assay.

US Patent US9174969 (2015)


BindingDB Entry DOI: 10.7270/Q20R9N65
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



UNIVERSITY OF SOUTH FLORIDA

US Patent


Assay Description
IC50 values for indoline Shp2 inhibitors of the present invention, as determined by in vitro phosphotyrosine phosphatase activity (DiFMUP) assay.

US Patent US9174969 (2015)


BindingDB Entry DOI: 10.7270/Q20R9N65
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



UNIVERSITY OF SOUTH FLORIDA

US Patent


Assay Description
IC50 values for indoline Shp2 inhibitors of the present invention, as determined by in vitro phosphotyrosine phosphatase activity (DiFMUP) assay.

US Patent US9174969 (2015)


BindingDB Entry DOI: 10.7270/Q20R9N65
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



UNIVERSITY OF SOUTH FLORIDA

US Patent


Assay Description
IC50 values for indoline Shp2 inhibitors of the present invention, as determined by in vitro phosphotyrosine phosphatase activity (DiFMUP) assay.

US Patent US9174969 (2015)


BindingDB Entry DOI: 10.7270/Q20R9N65
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



UNIVERSITY OF SOUTH FLORIDA

US Patent


Assay Description
IC50 values for indoline Shp2 inhibitors of the present invention, as determined by in vitro phosphotyrosine phosphatase activity (DiFMUP) assay.

US Patent US9174969 (2015)


BindingDB Entry DOI: 10.7270/Q20R9N65
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



UNIVERSITY OF SOUTH FLORIDA

US Patent


Assay Description
IC50 values for indoline Shp2 inhibitors of the present invention, as determined by in vitro phosphotyrosine phosphatase activity (DiFMUP) assay.

US Patent US9174969 (2015)


BindingDB Entry DOI: 10.7270/Q20R9N65
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



UNIVERSITY OF SOUTH FLORIDA

US Patent


Assay Description
IC50 values for indoline Shp2 inhibitors of the present invention, as determined by in vitro phosphotyrosine phosphatase activity (DiFMUP) assay.

US Patent US9174969 (2015)


BindingDB Entry DOI: 10.7270/Q20R9N65
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



UNIVERSITY OF SOUTH FLORIDA

US Patent


Assay Description
IC50 values for indoline Shp2 inhibitors of the present invention, as determined by in vitro phosphotyrosine phosphatase activity (DiFMUP) assay.

US Patent US9174969 (2015)


BindingDB Entry DOI: 10.7270/Q20R9N65
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



UNIVERSITY OF SOUTH FLORIDA

US Patent


Assay Description
IC50 values for indoline Shp2 inhibitors of the present invention, as determined by in vitro phosphotyrosine phosphatase activity (DiFMUP) assay.

US Patent US9174969 (2015)


BindingDB Entry DOI: 10.7270/Q20R9N65
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



UNIVERSITY OF SOUTH FLORIDA

US Patent


Assay Description
IC50 values for indoline Shp2 inhibitors of the present invention, as determined by in vitro phosphotyrosine phosphatase activity (DiFMUP) assay.

US Patent US9174969 (2015)


BindingDB Entry DOI: 10.7270/Q20R9N65
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



UNIVERSITY OF SOUTH FLORIDA

US Patent


Assay Description
IC50 values for indoline Shp2 inhibitors of the present invention, as determined by in vitro phosphotyrosine phosphatase activity (DiFMUP) assay.

US Patent US9174969 (2015)


BindingDB Entry DOI: 10.7270/Q20R9N65
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



UNIVERSITY OF SOUTH FLORIDA

US Patent


Assay Description
IC50 values for indoline Shp2 inhibitors of the present invention, as determined by in vitro phosphotyrosine phosphatase activity (DiFMUP) assay.

US Patent US9174969 (2015)


BindingDB Entry DOI: 10.7270/Q20R9N65
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



UNIVERSITY OF SOUTH FLORIDA

US Patent


Assay Description
IC50 values for indoline Shp2 inhibitors of the present invention, as determined by in vitro phosphotyrosine phosphatase activity (DiFMUP) assay.

US Patent US9174969 (2015)


BindingDB Entry DOI: 10.7270/Q20R9N65
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



UNIVERSITY OF SOUTH FLORIDA

US Patent


Assay Description
IC50 values for indoline Shp2 inhibitors of the present invention, as determined by in vitro phosphotyrosine phosphatase activity (DiFMUP) assay.

US Patent US9174969 (2015)


BindingDB Entry DOI: 10.7270/Q20R9N65
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



UNIVERSITY OF SOUTH FLORIDA

US Patent


Assay Description
IC50 values for indoline Shp2 inhibitors of the present invention, as determined by in vitro phosphotyrosine phosphatase activity (DiFMUP) assay.

US Patent US9174969 (2015)


BindingDB Entry DOI: 10.7270/Q20R9N65
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



UNIVERSITY OF SOUTH FLORIDA

US Patent


Assay Description
IC50 values for indoline Shp2 inhibitors of the present invention, as determined by in vitro phosphotyrosine phosphatase activity (DiFMUP) assay.

US Patent US9174969 (2015)


BindingDB Entry DOI: 10.7270/Q20R9N65
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



UNIVERSITY OF SOUTH FLORIDA

US Patent


Assay Description
IC50 values for indoline Shp2 inhibitors of the present invention, as determined by in vitro phosphotyrosine phosphatase activity (DiFMUP) assay.

US Patent US9174969 (2015)


BindingDB Entry DOI: 10.7270/Q20R9N65
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



UNIVERSITY OF SOUTH FLORIDA

US Patent


Assay Description
IC50 values for indoline Shp2 inhibitors of the present invention, as determined by in vitro phosphotyrosine phosphatase activity (DiFMUP) assay.

US Patent US9174969 (2015)


BindingDB Entry DOI: 10.7270/Q20R9N65
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



UNIVERSITY OF SOUTH FLORIDA

US Patent


Assay Description
IC50 values for indoline Shp2 inhibitors of the present invention, as determined by in vitro phosphotyrosine phosphatase activity (DiFMUP) assay.

US Patent US9174969 (2015)


BindingDB Entry DOI: 10.7270/Q20R9N65
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



UNIVERSITY OF SOUTH FLORIDA

US Patent


Assay Description
IC50 values for indoline Shp2 inhibitors of the present invention, as determined by in vitro phosphotyrosine phosphatase activity (DiFMUP) assay.

US Patent US9174969 (2015)


BindingDB Entry DOI: 10.7270/Q20R9N65
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



UNIVERSITY OF SOUTH FLORIDA

US Patent


Assay Description
IC50 values for indoline Shp2 inhibitors of the present invention, as determined by in vitro phosphotyrosine phosphatase activity (DiFMUP) assay.

US Patent US9174969 (2015)


BindingDB Entry DOI: 10.7270/Q20R9N65
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



UNIVERSITY OF SOUTH FLORIDA

US Patent


Assay Description
IC50 values for indoline Shp2 inhibitors of the present invention, as determined by in vitro phosphotyrosine phosphatase activity (DiFMUP) assay.

US Patent US9174969 (2015)


BindingDB Entry DOI: 10.7270/Q20R9N65
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



UNIVERSITY OF SOUTH FLORIDA

US Patent


Assay Description
IC50 values for indoline Shp2 inhibitors of the present invention, as determined by in vitro phosphotyrosine phosphatase activity (DiFMUP) assay.

US Patent US9174969 (2015)


BindingDB Entry DOI: 10.7270/Q20R9N65
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



UNIVERSITY OF SOUTH FLORIDA

US Patent


Assay Description
IC50 values for indoline Shp2 inhibitors of the present invention, as determined by in vitro phosphotyrosine phosphatase activity (DiFMUP) assay.

US Patent US9174969 (2015)


BindingDB Entry DOI: 10.7270/Q20R9N65
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



UNIVERSITY OF SOUTH FLORIDA

US Patent


Assay Description
IC50 values for indoline Shp2 inhibitors of the present invention, as determined by in vitro phosphotyrosine phosphatase activity (DiFMUP) assay.

US Patent US9174969 (2015)


BindingDB Entry DOI: 10.7270/Q20R9N65
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



UNIVERSITY OF SOUTH FLORIDA

US Patent


Assay Description
IC50 values for indoline Shp2 inhibitors of the present invention, as determined by in vitro phosphotyrosine phosphatase activity (DiFMUP) assay.

US Patent US9174969 (2015)


BindingDB Entry DOI: 10.7270/Q20R9N65
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



UNIVERSITY OF SOUTH FLORIDA

US Patent


Assay Description
IC50 values for indoline Shp2 inhibitors of the present invention, as determined by in vitro phosphotyrosine phosphatase activity (DiFMUP) assay.

US Patent US9174969 (2015)


BindingDB Entry DOI: 10.7270/Q20R9N65
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



UNIVERSITY OF SOUTH FLORIDA

US Patent


Assay Description
IC50 values for indoline Shp2 inhibitors of the present invention, as determined by in vitro phosphotyrosine phosphatase activity (DiFMUP) assay.

US Patent US9174969 (2015)


BindingDB Entry DOI: 10.7270/Q20R9N65
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



UNIVERSITY OF SOUTH FLORIDA

US Patent


Assay Description
IC50 values for indoline Shp2 inhibitors of the present invention, as determined by in vitro phosphotyrosine phosphatase activity (DiFMUP) assay.

US Patent US9174969 (2015)


BindingDB Entry DOI: 10.7270/Q20R9N65
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



UNIVERSITY OF SOUTH FLORIDA

US Patent


Assay Description
IC50 values for indoline Shp2 inhibitors of the present invention, as determined by in vitro phosphotyrosine phosphatase activity (DiFMUP) assay.

US Patent US9174969 (2015)


BindingDB Entry DOI: 10.7270/Q20R9N65
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



UNIVERSITY OF SOUTH FLORIDA

US Patent


Assay Description
IC50 values for indoline Shp2 inhibitors of the present invention, as determined by in vitro phosphotyrosine phosphatase activity (DiFMUP) assay.

US Patent US9174969 (2015)


BindingDB Entry DOI: 10.7270/Q20R9N65
More data for this
Ligand-Target Pair
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 3.73E+4n/an/an/an/an/an/a



UNIVERSITY OF SOUTH FLORIDA

US Patent


Assay Description
IC50 values for indoline Shp2 inhibitors of the present invention, as determined by in vitro phosphotyrosine phosphatase activity (DiFMUP) assay.

US Patent US9174969 (2015)


BindingDB Entry DOI: 10.7270/Q20R9N65
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



UNIVERSITY OF SOUTH FLORIDA

US Patent


Assay Description
IC50 values for indoline Shp2 inhibitors of the present invention, as determined by in vitro phosphotyrosine phosphatase activity (DiFMUP) assay.

US Patent US9174969 (2015)


BindingDB Entry DOI: 10.7270/Q20R9N65
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



UNIVERSITY OF SOUTH FLORIDA

US Patent


Assay Description
IC50 values for indoline Shp2 inhibitors of the present invention, as determined by in vitro phosphotyrosine phosphatase activity (DiFMUP) assay.

US Patent US9174969 (2015)


BindingDB Entry DOI: 10.7270/Q20R9N65
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 7


(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 4.78E+4n/an/an/an/an/an/a



UNIVERSITY OF SOUTH FLORIDA

US Patent


Assay Description
IC50 values for indoline Shp2 inhibitors of the present invention, as determined by in vitro phosphotyrosine phosphatase activity (DiFMUP) assay.

US Patent US9174969 (2015)


BindingDB Entry DOI: 10.7270/Q20R9N65
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



UNIVERSITY OF SOUTH FLORIDA

US Patent


Assay Description
IC50 values for indoline Shp2 inhibitors of the present invention, as determined by in vitro phosphotyrosine phosphatase activity (DiFMUP) assay.

US Patent US9174969 (2015)


BindingDB Entry DOI: 10.7270/Q20R9N65
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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n/an/a 1.44E+5n/an/an/an/an/an/a



UNIVERSITY OF SOUTH FLORIDA

US Patent


Assay Description
IC50 values for indoline Shp2 inhibitors of the present invention, as determined by in vitro phosphotyrosine phosphatase activity (DiFMUP) assay.

US Patent US9174969 (2015)


BindingDB Entry DOI: 10.7270/Q20R9N65
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%