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17 similar compounds to monomer 50054344

Compile data set for download or QSAR
Wt: 639.3
BDBM50054207
Wt: 634.2
BDBM50054209
Wt: 573.3
BDBM50054211
Wt: 681.2
BDBM50054256
Wt: 656.4
BDBM50054257
Wt: 656.4
BDBM50054258
Wt: 621.3
BDBM50054260
Wt: 656.4
BDBM50054261
Wt: 637.4
BDBM50054262
Wt: 665.4
BDBM50054264
Wt: 659.4
BDBM50054268
Wt: 625.4
BDBM50054271
Wt: 573.3
BDBM50054345
Wt: 657.7
BDBM50054347
Wt: 621.3
BDBM50054348
Displayed 1 to 15 (of 17 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 30 hits for monomerid = 50054207,50054209,50054211,50054256,50054257,50054258,50054260,50054261,50054262,50054264,50054268,50054271,50054345,50054347,50054348   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Src homology-2 domain containing protein tyrosine phosphatase-2 (SHP2)


(Homo sapiens (Human))
BDBM50054348
PNG
(CHEMBL3319367 | US9522881, 11a-12 (L97M63))
Show SMILES Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2ccc(cc2)-n2ccnc2)c1
Show InChI InChI=1S/C27H20IN5O5/c1-32-21-13-22(34)20(27(37)38)12-19(21)23(28)24(32)15-3-2-4-17(11-15)31-26(36)25(35)30-16-5-7-18(8-6-16)33-10-9-29-14-33/h2-14,34H,1H3,(H,30,35)(H,31,36)(H,37,38)
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n/an/a 1.49E+3n/an/an/an/a7.0n/a



Indiana University Research and Technology Corporation

US Patent


Assay Description
The inhibition assays were performed at 25 C. in 50 mM 3,3-dimethylglutarate buffer, pH 7.0, containing 1 mM EDTA with an ionic strength of 0.15M ad...


US Patent US9522881 (2016)


BindingDB Entry DOI: 10.7270/Q2DN4402
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM50054348
PNG
(CHEMBL3319367 | US9522881, 11a-12 (L97M63))
Show SMILES Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2ccc(cc2)-n2ccnc2)c1
Show InChI InChI=1S/C27H20IN5O5/c1-32-21-13-22(34)20(27(37)38)12-19(21)23(28)24(32)15-3-2-4-17(11-15)31-26(36)25(35)30-16-5-7-18(8-6-16)33-10-9-29-14-33/h2-14,34H,1H3,(H,30,35)(H,31,36)(H,37,38)
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n/an/a 1.49E+3n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of SHP2 (unknown origin) using p-nitrophenyl phosphate substrate by microplate spectrophotometry


J Med Chem 57: 6594-609 (2014)


Article DOI: 10.1021/jm5006176
BindingDB Entry DOI: 10.7270/Q24X59FM
More data for this
Ligand-Target Pair
Src homology-2 domain containing protein tyrosine phosphatase-2 (SHP2)


(Homo sapiens (Human))
BDBM50054345
PNG
(CHEMBL3319370 | US9522881, 11a-15 (L97N95))
Show SMILES Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2ccc(F)cc2)c1
Show InChI InChI=1S/C24H17FIN3O5/c1-29-18-11-19(30)17(24(33)34)10-16(18)20(26)21(29)12-3-2-4-15(9-12)28-23(32)22(31)27-14-7-5-13(25)6-8-14/h2-11,30H,1H3,(H,27,31)(H,28,32)(H,33,34)
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n/an/a 1.84E+3n/an/an/an/a7.0n/a



Indiana University Research and Technology Corporation

US Patent


Assay Description
The inhibition assays were performed at 25 C. in 50 mM 3,3-dimethylglutarate buffer, pH 7.0, containing 1 mM EDTA with an ionic strength of 0.15M ad...


US Patent US9522881 (2016)


BindingDB Entry DOI: 10.7270/Q2DN4402
More data for this
Ligand-Target Pair
Src homology-2 domain containing protein tyrosine phosphatase-2 (SHP2)


(Homo sapiens (Human))
BDBM50054207
PNG
(CHEMBL3319372 | US9522881, 11a-17 (L97M32))
Show SMILES Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2cccc(OC(F)(F)F)c2)c1
Show InChI InChI=1S/C25H17F3IN3O6/c1-32-18-11-19(33)17(24(36)37)10-16(18)20(29)21(32)12-4-2-5-13(8-12)30-22(34)23(35)31-14-6-3-7-15(9-14)38-25(26,27)28/h2-11,33H,1H3,(H,30,34)(H,31,35)(H,36,37)
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n/an/a 2.39E+3n/an/an/an/a7.0n/a



Indiana University Research and Technology Corporation

US Patent


Assay Description
The inhibition assays were performed at 25 C. in 50 mM 3,3-dimethylglutarate buffer, pH 7.0, containing 1 mM EDTA with an ionic strength of 0.15M ad...


US Patent US9522881 (2016)


BindingDB Entry DOI: 10.7270/Q2DN4402
More data for this
Ligand-Target Pair
Src homology-2 domain containing protein tyrosine phosphatase-2 (SHP2)


(Homo sapiens (Human))
BDBM50054209
PNG
(CHEMBL3319373 | US9522881, 11a-18 (L97M18))
Show SMILES Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2cccc(Br)c2)c1
Show InChI InChI=1S/C24H17BrIN3O5/c1-29-18-11-19(30)17(24(33)34)10-16(18)20(26)21(29)12-4-2-6-14(8-12)27-22(31)23(32)28-15-7-3-5-13(25)9-15/h2-11,30H,1H3,(H,27,31)(H,28,32)(H,33,34)
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n/an/a 2.73E+3n/an/an/an/a7.0n/a



Indiana University Research and Technology Corporation

US Patent


Assay Description
The inhibition assays were performed at 25 C. in 50 mM 3,3-dimethylglutarate buffer, pH 7.0, containing 1 mM EDTA with an ionic strength of 0.15M ad...


US Patent US9522881 (2016)


BindingDB Entry DOI: 10.7270/Q2DN4402
More data for this
Ligand-Target Pair
Src homology-2 domain containing protein tyrosine phosphatase-2 (SHP2)


(Homo sapiens (Human))
BDBM50054211
PNG
(CHEMBL3319374 | US9522881, 11a-19 (L97N07))
Show SMILES Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2cccc(F)c2)c1
Show InChI InChI=1S/C24H17FIN3O5/c1-29-18-11-19(30)17(24(33)34)10-16(18)20(26)21(29)12-4-2-6-14(8-12)27-22(31)23(32)28-15-7-3-5-13(25)9-15/h2-11,30H,1H3,(H,27,31)(H,28,32)(H,33,34)
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n/an/a 4.66E+3n/an/an/an/a7.0n/a



Indiana University Research and Technology Corporation

US Patent


Assay Description
The inhibition assays were performed at 25 C. in 50 mM 3,3-dimethylglutarate buffer, pH 7.0, containing 1 mM EDTA with an ionic strength of 0.15M ad...


US Patent US9522881 (2016)


BindingDB Entry DOI: 10.7270/Q2DN4402
More data for this
Ligand-Target Pair
Src homology-2 domain containing protein tyrosine phosphatase-2 (SHP2)


(Homo sapiens (Human))
BDBM50054256
PNG
(CHEMBL3319375 | US9522881, 11a-20 (L97M23))
Show SMILES Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2cccc(I)c2)c1
Show InChI InChI=1S/C24H17I2N3O5/c1-29-18-11-19(30)17(24(33)34)10-16(18)20(26)21(29)12-4-2-6-14(8-12)27-22(31)23(32)28-15-7-3-5-13(25)9-15/h2-11,30H,1H3,(H,27,31)(H,28,32)(H,33,34)
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n/an/a 5.42E+3n/an/an/an/a7.0n/a



Indiana University Research and Technology Corporation

US Patent


Assay Description
The inhibition assays were performed at 25 C. in 50 mM 3,3-dimethylglutarate buffer, pH 7.0, containing 1 mM EDTA with an ionic strength of 0.15M ad...


US Patent US9522881 (2016)


BindingDB Entry DOI: 10.7270/Q2DN4402
More data for this
Ligand-Target Pair
Src homology-2 domain containing protein tyrosine phosphatase-2 (SHP2)


(Homo sapiens (Human))
BDBM50054257
PNG
(CHEMBL3319376 | US9522881, 11a-21 L97L08)
Show SMILES Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2ccc(cc2)-c2ccc(cc2)C#N)c1
Show InChI InChI=1S/C31H21IN4O5/c1-36-25-15-26(37)24(31(40)41)14-23(25)27(32)28(36)20-3-2-4-22(13-20)35-30(39)29(38)34-21-11-9-19(10-12-21)18-7-5-17(16-33)6-8-18/h2-15,37H,1H3,(H,34,38)(H,35,39)(H,40,41)
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n/an/a 220n/an/an/an/a7.0n/a



Indiana University Research and Technology Corporation

US Patent


Assay Description
The inhibition assays were performed at 25 C. in 50 mM 3,3-dimethylglutarate buffer, pH 7.0, containing 1 mM EDTA with an ionic strength of 0.15M ad...


US Patent US9522881 (2016)


BindingDB Entry DOI: 10.7270/Q2DN4402
More data for this
Ligand-Target Pair
Src homology-2 domain containing protein tyrosine phosphatase-2 (SHP2)


(Homo sapiens (Human))
BDBM50054258
PNG
(CHEMBL3319377 | US9522881, 11a-22 L97L07)
Show SMILES Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2ccc(cc2)-c2cccc(c2)C#N)c1
Show InChI InChI=1S/C31H21IN4O5/c1-36-25-15-26(37)24(31(40)41)14-23(25)27(32)28(36)20-6-3-7-22(13-20)35-30(39)29(38)34-21-10-8-18(9-11-21)19-5-2-4-17(12-19)16-33/h2-15,37H,1H3,(H,34,38)(H,35,39)(H,40,41)
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n/an/a 310n/an/an/an/a7.0n/a



Indiana University Research and Technology Corporation

US Patent


Assay Description
The inhibition assays were performed at 25 C. in 50 mM 3,3-dimethylglutarate buffer, pH 7.0, containing 1 mM EDTA with an ionic strength of 0.15M ad...


US Patent US9522881 (2016)


BindingDB Entry DOI: 10.7270/Q2DN4402
More data for this
Ligand-Target Pair
Src homology-2 domain containing protein tyrosine phosphatase-2 (SHP2)


(Homo sapiens (Human))
BDBM50054260
PNG
(CHEMBL3319379 | US9522881, 11a-24 L97L05)
Show SMILES Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2cccc(c2)-c2ccco2)c1
Show InChI InChI=1S/C28H20IN3O6/c1-32-21-14-22(33)20(28(36)37)13-19(21)24(29)25(32)16-6-3-8-18(12-16)31-27(35)26(34)30-17-7-2-5-15(11-17)23-9-4-10-38-23/h2-14,33H,1H3,(H,30,34)(H,31,35)(H,36,37)
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n/an/a 380n/an/an/an/a7.0n/a



Indiana University Research and Technology Corporation

US Patent


Assay Description
The inhibition assays were performed at 25 C. in 50 mM 3,3-dimethylglutarate buffer, pH 7.0, containing 1 mM EDTA with an ionic strength of 0.15M ad...


US Patent US9522881 (2016)


BindingDB Entry DOI: 10.7270/Q2DN4402
More data for this
Ligand-Target Pair
Src homology-2 domain containing protein tyrosine phosphatase-2 (SHP2)


(Homo sapiens (Human))
BDBM50054261
PNG
(CHEMBL3319380 | US9522881, 11a-25 L97L06)
Show SMILES Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2cccc(c2)-c2ccc(cc2)C#N)c1
Show InChI InChI=1S/C31H21IN4O5/c1-36-25-15-26(37)24(31(40)41)14-23(25)27(32)28(36)20-5-3-7-22(13-20)35-30(39)29(38)34-21-6-2-4-19(12-21)18-10-8-17(16-33)9-11-18/h2-15,37H,1H3,(H,34,38)(H,35,39)(H,40,41)
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n/an/a 420n/an/an/an/a7.0n/a



Indiana University Research and Technology Corporation

US Patent


Assay Description
The inhibition assays were performed at 25 C. in 50 mM 3,3-dimethylglutarate buffer, pH 7.0, containing 1 mM EDTA with an ionic strength of 0.15M ad...


US Patent US9522881 (2016)


BindingDB Entry DOI: 10.7270/Q2DN4402
More data for this
Ligand-Target Pair
Src homology-2 domain containing protein tyrosine phosphatase-2 (SHP2)


(Homo sapiens (Human))
BDBM50054262
PNG
(CHEMBL3319381 | US9522881, 11a-26 L97L02)
Show SMILES Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2cccc(c2)-c2ccsc2)c1
Show InChI InChI=1S/C28H20IN3O5S/c1-32-22-13-23(33)21(28(36)37)12-20(22)24(29)25(32)16-5-3-7-19(11-16)31-27(35)26(34)30-18-6-2-4-15(10-18)17-8-9-38-14-17/h2-14,33H,1H3,(H,30,34)(H,31,35)(H,36,37)
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n/an/a 630n/an/an/an/a7.0n/a



Indiana University Research and Technology Corporation

US Patent


Assay Description
The inhibition assays were performed at 25 C. in 50 mM 3,3-dimethylglutarate buffer, pH 7.0, containing 1 mM EDTA with an ionic strength of 0.15M ad...


US Patent US9522881 (2016)


BindingDB Entry DOI: 10.7270/Q2DN4402
More data for this
Ligand-Target Pair
Src homology-2 domain containing protein tyrosine phosphatase-2 (SHP2)


(Homo sapiens (Human))
BDBM50054264
PNG
(CHEMBL3319383 | US9522881, 11c-1 (L88M74))
Show SMILES Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)CCC(=O)Nc2ccc(cc2)-c2ccsc2)c1
Show InChI InChI=1S/C30H24IN3O5S/c1-34-24-15-25(35)23(30(38)39)14-22(24)28(31)29(34)18-3-2-4-21(13-18)33-27(37)10-9-26(36)32-20-7-5-17(6-8-20)19-11-12-40-16-19/h2-8,11-16,35H,9-10H2,1H3,(H,32,36)(H,33,37)(H,38,39)
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n/an/a 2.30E+3n/an/an/an/a7.0n/a



Indiana University Research and Technology Corporation

US Patent


Assay Description
The inhibition assays were performed at 25 C. in 50 mM 3,3-dimethylglutarate buffer, pH 7.0, containing 1 mM EDTA with an ionic strength of 0.15M ad...


US Patent US9522881 (2016)


BindingDB Entry DOI: 10.7270/Q2DN4402
More data for this
Ligand-Target Pair
Src homology-2 domain containing protein tyrosine phosphatase-2 (SHP2)


(Homo sapiens (Human))
BDBM50054268
PNG
(CHEMBL3319387 | US9522881, 11c-5 (L88M48))
Show SMILES Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)CCC(=O)Nc2cccc(c2)-c2ccccc2)c1
Show InChI InChI=1S/C32H26IN3O5/c1-36-26-18-27(37)25(32(40)41)17-24(26)30(33)31(36)21-10-6-12-23(16-21)35-29(39)14-13-28(38)34-22-11-5-9-20(15-22)19-7-3-2-4-8-19/h2-12,15-18,37H,13-14H2,1H3,(H,34,38)(H,35,39)(H,40,41)
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n/an/a 5.30E+3n/an/an/an/a7.0n/a



Indiana University Research and Technology Corporation

US Patent


Assay Description
The inhibition assays were performed at 25 C. in 50 mM 3,3-dimethylglutarate buffer, pH 7.0, containing 1 mM EDTA with an ionic strength of 0.15M ad...


US Patent US9522881 (2016)


BindingDB Entry DOI: 10.7270/Q2DN4402
More data for this
Ligand-Target Pair
Src homology-2 domain containing protein tyrosine phosphatase-2 (SHP2)


(Homo sapiens (Human))
BDBM50054271
PNG
(CHEMBL3319390 | US9522881, 11c-8 (L88N25))
Show SMILES CC(C)c1ccc(NC(=O)CCC(=O)Nc2cccc(c2)-c2c(I)c3cc(C(O)=O)c(O)cc3n2C)cc1
Show InChI InChI=1S/C29H28IN3O5/c1-16(2)17-7-9-19(10-8-17)31-25(35)11-12-26(36)32-20-6-4-5-18(13-20)28-27(30)21-14-22(29(37)38)24(34)15-23(21)33(28)3/h4-10,13-16,34H,11-12H2,1-3H3,(H,31,35)(H,32,36)(H,37,38)
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n/an/a 1.07E+4n/an/an/an/a7.0n/a



Indiana University Research and Technology Corporation

US Patent


Assay Description
The inhibition assays were performed at 25 C. in 50 mM 3,3-dimethylglutarate buffer, pH 7.0, containing 1 mM EDTA with an ionic strength of 0.15M ad...


US Patent US9522881 (2016)


BindingDB Entry DOI: 10.7270/Q2DN4402
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM50054207
PNG
(CHEMBL3319372 | US9522881, 11a-17 (L97M32))
Show SMILES Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2cccc(OC(F)(F)F)c2)c1
Show InChI InChI=1S/C25H17F3IN3O6/c1-32-18-11-19(33)17(24(36)37)10-16(18)20(29)21(32)12-4-2-5-13(8-12)30-22(34)23(35)31-14-6-3-7-15(9-14)38-25(26,27)28/h2-11,33H,1H3,(H,30,34)(H,31,35)(H,36,37)
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n/an/a 2.39E+3n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of SHP2 (unknown origin) using p-nitrophenyl phosphate substrate by microplate spectrophotometry


J Med Chem 57: 6594-609 (2014)


Article DOI: 10.1021/jm5006176
BindingDB Entry DOI: 10.7270/Q24X59FM
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM50054209
PNG
(CHEMBL3319373 | US9522881, 11a-18 (L97M18))
Show SMILES Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2cccc(Br)c2)c1
Show InChI InChI=1S/C24H17BrIN3O5/c1-29-18-11-19(30)17(24(33)34)10-16(18)20(26)21(29)12-4-2-6-14(8-12)27-22(31)23(32)28-15-7-3-5-13(25)9-15/h2-11,30H,1H3,(H,27,31)(H,28,32)(H,33,34)
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n/an/a 2.73E+3n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of SHP2 (unknown origin) using p-nitrophenyl phosphate substrate by microplate spectrophotometry


J Med Chem 57: 6594-609 (2014)


Article DOI: 10.1021/jm5006176
BindingDB Entry DOI: 10.7270/Q24X59FM
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM50054211
PNG
(CHEMBL3319374 | US9522881, 11a-19 (L97N07))
Show SMILES Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2cccc(F)c2)c1
Show InChI InChI=1S/C24H17FIN3O5/c1-29-18-11-19(30)17(24(33)34)10-16(18)20(26)21(29)12-4-2-6-14(8-12)27-22(31)23(32)28-15-7-3-5-13(25)9-15/h2-11,30H,1H3,(H,27,31)(H,28,32)(H,33,34)
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n/an/a 4.66E+3n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of SHP2 (unknown origin) using p-nitrophenyl phosphate substrate by microplate spectrophotometry


J Med Chem 57: 6594-609 (2014)


Article DOI: 10.1021/jm5006176
BindingDB Entry DOI: 10.7270/Q24X59FM
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM50054256
PNG
(CHEMBL3319375 | US9522881, 11a-20 (L97M23))
Show SMILES Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2cccc(I)c2)c1
Show InChI InChI=1S/C24H17I2N3O5/c1-29-18-11-19(30)17(24(33)34)10-16(18)20(26)21(29)12-4-2-6-14(8-12)27-22(31)23(32)28-15-7-3-5-13(25)9-15/h2-11,30H,1H3,(H,27,31)(H,28,32)(H,33,34)
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n/an/a 5.42E+3n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of SHP2 (unknown origin) using p-nitrophenyl phosphate substrate by microplate spectrophotometry


J Med Chem 57: 6594-609 (2014)


Article DOI: 10.1021/jm5006176
BindingDB Entry DOI: 10.7270/Q24X59FM
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM50054257
PNG
(CHEMBL3319376 | US9522881, 11a-21 L97L08)
Show SMILES Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2ccc(cc2)-c2ccc(cc2)C#N)c1
Show InChI InChI=1S/C31H21IN4O5/c1-36-25-15-26(37)24(31(40)41)14-23(25)27(32)28(36)20-3-2-4-22(13-20)35-30(39)29(38)34-21-11-9-19(10-12-21)18-7-5-17(16-33)6-8-18/h2-15,37H,1H3,(H,34,38)(H,35,39)(H,40,41)
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n/an/a 220n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of SHP2 (unknown origin) using p-nitrophenyl phosphate substrate by microplate spectrophotometry


J Med Chem 57: 6594-609 (2014)


Article DOI: 10.1021/jm5006176
BindingDB Entry DOI: 10.7270/Q24X59FM
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM50054258
PNG
(CHEMBL3319377 | US9522881, 11a-22 L97L07)
Show SMILES Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2ccc(cc2)-c2cccc(c2)C#N)c1
Show InChI InChI=1S/C31H21IN4O5/c1-36-25-15-26(37)24(31(40)41)14-23(25)27(32)28(36)20-6-3-7-22(13-20)35-30(39)29(38)34-21-10-8-18(9-11-21)19-5-2-4-17(12-19)16-33/h2-15,37H,1H3,(H,34,38)(H,35,39)(H,40,41)
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n/an/a 310n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of SHP2 (unknown origin) using p-nitrophenyl phosphate substrate by microplate spectrophotometry


J Med Chem 57: 6594-609 (2014)


Article DOI: 10.1021/jm5006176
BindingDB Entry DOI: 10.7270/Q24X59FM
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM50054260
PNG
(CHEMBL3319379 | US9522881, 11a-24 L97L05)
Show SMILES Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2cccc(c2)-c2ccco2)c1
Show InChI InChI=1S/C28H20IN3O6/c1-32-21-14-22(33)20(28(36)37)13-19(21)24(29)25(32)16-6-3-8-18(12-16)31-27(35)26(34)30-17-7-2-5-15(11-17)23-9-4-10-38-23/h2-14,33H,1H3,(H,30,34)(H,31,35)(H,36,37)
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n/an/a 380n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of SHP2 (unknown origin) using p-nitrophenyl phosphate substrate by microplate spectrophotometry


J Med Chem 57: 6594-609 (2014)


Article DOI: 10.1021/jm5006176
BindingDB Entry DOI: 10.7270/Q24X59FM
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM50054261
PNG
(CHEMBL3319380 | US9522881, 11a-25 L97L06)
Show SMILES Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2cccc(c2)-c2ccc(cc2)C#N)c1
Show InChI InChI=1S/C31H21IN4O5/c1-36-25-15-26(37)24(31(40)41)14-23(25)27(32)28(36)20-5-3-7-22(13-20)35-30(39)29(38)34-21-6-2-4-19(12-21)18-10-8-17(16-33)9-11-18/h2-15,37H,1H3,(H,34,38)(H,35,39)(H,40,41)
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n/an/a 420n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of SHP2 (unknown origin) using p-nitrophenyl phosphate substrate by microplate spectrophotometry


J Med Chem 57: 6594-609 (2014)


Article DOI: 10.1021/jm5006176
BindingDB Entry DOI: 10.7270/Q24X59FM
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM50054262
PNG
(CHEMBL3319381 | US9522881, 11a-26 L97L02)
Show SMILES Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2cccc(c2)-c2ccsc2)c1
Show InChI InChI=1S/C28H20IN3O5S/c1-32-22-13-23(33)21(28(36)37)12-20(22)24(29)25(32)16-5-3-7-19(11-16)31-27(35)26(34)30-18-6-2-4-15(10-18)17-8-9-38-14-17/h2-14,33H,1H3,(H,30,34)(H,31,35)(H,36,37)
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n/an/a 630n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of SHP2 (unknown origin) using p-nitrophenyl phosphate substrate by microplate spectrophotometry


J Med Chem 57: 6594-609 (2014)


Article DOI: 10.1021/jm5006176
BindingDB Entry DOI: 10.7270/Q24X59FM
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM50054264
PNG
(CHEMBL3319383 | US9522881, 11c-1 (L88M74))
Show SMILES Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)CCC(=O)Nc2ccc(cc2)-c2ccsc2)c1
Show InChI InChI=1S/C30H24IN3O5S/c1-34-24-15-25(35)23(30(38)39)14-22(24)28(31)29(34)18-3-2-4-21(13-18)33-27(37)10-9-26(36)32-20-7-5-17(6-8-20)19-11-12-40-16-19/h2-8,11-16,35H,9-10H2,1H3,(H,32,36)(H,33,37)(H,38,39)
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n/an/a 2.30E+3n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of SHP2 (unknown origin) using p-nitrophenyl phosphate substrate by microplate spectrophotometry


J Med Chem 57: 6594-609 (2014)


Article DOI: 10.1021/jm5006176
BindingDB Entry DOI: 10.7270/Q24X59FM
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM50054268
PNG
(CHEMBL3319387 | US9522881, 11c-5 (L88M48))
Show SMILES Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)CCC(=O)Nc2cccc(c2)-c2ccccc2)c1
Show InChI InChI=1S/C32H26IN3O5/c1-36-26-18-27(37)25(32(40)41)17-24(26)30(33)31(36)21-10-6-12-23(16-21)35-29(39)14-13-28(38)34-22-11-5-9-20(15-22)19-7-3-2-4-8-19/h2-12,15-18,37H,13-14H2,1H3,(H,34,38)(H,35,39)(H,40,41)
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n/an/a 5.30E+3n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of SHP2 (unknown origin) using p-nitrophenyl phosphate substrate by microplate spectrophotometry


J Med Chem 57: 6594-609 (2014)


Article DOI: 10.1021/jm5006176
BindingDB Entry DOI: 10.7270/Q24X59FM
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM50054271
PNG
(CHEMBL3319390 | US9522881, 11c-8 (L88N25))
Show SMILES CC(C)c1ccc(NC(=O)CCC(=O)Nc2cccc(c2)-c2c(I)c3cc(C(O)=O)c(O)cc3n2C)cc1
Show InChI InChI=1S/C29H28IN3O5/c1-16(2)17-7-9-19(10-8-17)31-25(35)11-12-26(36)32-20-6-4-5-18(13-20)28-27(30)21-14-22(29(37)38)24(34)15-23(21)33(28)3/h4-10,13-16,34H,11-12H2,1-3H3,(H,31,35)(H,32,36)(H,37,38)
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n/an/a 1.07E+4n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of SHP2 (unknown origin) using p-nitrophenyl phosphate substrate by microplate spectrophotometry


J Med Chem 57: 6594-609 (2014)


Article DOI: 10.1021/jm5006176
BindingDB Entry DOI: 10.7270/Q24X59FM
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM50054345
PNG
(CHEMBL3319370 | US9522881, 11a-15 (L97N95))
Show SMILES Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2ccc(F)cc2)c1
Show InChI InChI=1S/C24H17FIN3O5/c1-29-18-11-19(30)17(24(33)34)10-16(18)20(26)21(29)12-3-2-4-15(9-12)28-23(32)22(31)27-14-7-5-13(25)6-8-14/h2-11,30H,1H3,(H,27,31)(H,28,32)(H,33,34)
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n/an/a 1.84E+3n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of SHP2 (unknown origin) using p-nitrophenyl phosphate substrate by microplate spectrophotometry


J Med Chem 57: 6594-609 (2014)


Article DOI: 10.1021/jm5006176
BindingDB Entry DOI: 10.7270/Q24X59FM
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM50054347
PNG
(CHEMBL3319368 | US9522881, 11a-13 (L97M30))
Show SMILES Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)c1
Show InChI InChI=1S/C25H16ClF3IN3O5/c1-33-18-10-19(34)15(24(37)38)9-14(18)20(30)21(33)11-3-2-4-12(7-11)31-22(35)23(36)32-13-5-6-17(26)16(8-13)25(27,28)29/h2-10,34H,1H3,(H,31,35)(H,32,36)(H,37,38)
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n/an/a 1.76E+3n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of SHP2 (unknown origin) using p-nitrophenyl phosphate substrate by microplate spectrophotometry


J Med Chem 57: 6594-609 (2014)


Article DOI: 10.1021/jm5006176
BindingDB Entry DOI: 10.7270/Q24X59FM
More data for this
Ligand-Target Pair
Src homology-2 domain containing protein tyrosine phosphatase-2 (SHP2)


(Homo sapiens (Human))
BDBM50054347
PNG
(CHEMBL3319368 | US9522881, 11a-13 (L97M30))
Show SMILES Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)c1
Show InChI InChI=1S/C25H16ClF3IN3O5/c1-33-18-10-19(34)15(24(37)38)9-14(18)20(30)21(33)11-3-2-4-12(7-11)31-22(35)23(36)32-13-5-6-17(26)16(8-13)25(27,28)29/h2-10,34H,1H3,(H,31,35)(H,32,36)(H,37,38)
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US Patent
n/an/a 1.76E+3n/an/an/an/a7.0n/a



Indiana University Research and Technology Corporation

US Patent


Assay Description
The inhibition assays were performed at 25 C. in 50 mM 3,3-dimethylglutarate buffer, pH 7.0, containing 1 mM EDTA with an ionic strength of 0.15M ad...


US Patent US9522881 (2016)


BindingDB Entry DOI: 10.7270/Q2DN4402
More data for this
Ligand-Target Pair