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Compile Data Set for Download or QSAR

Found 310 hits Enz. Inhib. hit(s) with Target = 'Protein-tyrosine phosphatase 1C' AND taxid = 9606   
Target
(Institution)
LigandTarget
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
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM50299153
PNG
((Z)-5-{2-[3,5-bis(trifluoromethyl)benzyloxy]-5-bro...)
Show SMILES OC1=NC(=O)C(S1)=Cc1cc(Br)ccc1OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C19H10BrF6NO3S/c20-13-1-2-14(10(5-13)6-15-16(28)27-17(29)31-15)30-8-9-3-11(18(21,22)23)7-12(4-9)19(24,25)26/h1-7H,8H2,(H,27,28,29)
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2.20E+3n/an/an/an/an/an/an/an/a



Inha University

Curated by ChEMBL


Assay Description
Inhibition of SHP1 catalytic domain expressed in Escherichia coli


Bioorg Med Chem Lett 19: 6161-5 (2009)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM50219479
PNG
(3,3'-dicarboxy-2,2'-dihydroxy-5,5'-diphenyldipheny...)
Show SMILES OC(=O)c1cc(cc(Cc2cc(cc(C(O)=O)c2O)-c2ccccc2)c1O)-c1ccccc1
Show InChI InChI=1S/C27H20O6/c28-24-20(11-18(14-22(24)26(30)31)16-7-3-1-4-8-16)13-21-12-19(17-9-5-2-6-10-17)15-23(25(21)29)27(32)33/h1-12,14-15,28-29H,13H2,(H,30,31)(H,32,33)
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9.70E+3n/an/an/an/an/an/an/an/a



Inha University

Curated by ChEMBL


Assay Description
Inhibition of SHP-1 catalytic domain


Bioorg Med Chem 15: 6535-48 (2007)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM50208362
PNG
(3-benzyl-5-[(5-benzyl-3-carboxy-4-hydroxycyclohexa...)
Show SMILES OC(=O)C1C=C(Cc2cc(Cc3ccccc3)c(O)c(c2)C(O)=O)CC(Cc2ccccc2)C1=O
Show InChI InChI=1S/C29H26O6/c30-26-22(12-18-7-3-1-4-8-18)14-20(16-24(26)28(32)33)11-21-15-23(13-19-9-5-2-6-10-19)27(31)25(17-21)29(34)35/h1-10,14,16-17,23,25,30H,11-13,15H2,(H,32,33)(H,34,35)
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1.40E+4n/an/an/an/an/an/an/an/a



Inha University

Curated by ChEMBL


Assay Description
Inhibition of SHP-1 catalytic domain


Bioorg Med Chem Lett 17: 2760-4 (2007)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM50118796
PNG
(6-(OXALYL-AMINO)-1H-INDOLE-5-CARBOXYLIC ACID | 6-(...)
Show SMILES OC(=O)C(=O)Nc1cc2[nH]ccc2cc1C(O)=O
Show InChI InChI=1S/C11H8N2O5/c14-9(11(17)18)13-8-4-7-5(1-2-12-7)3-6(8)10(15)16/h1-4,12H,(H,13,14)(H,15,16)(H,17,18)
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1.60E+4n/an/an/an/an/an/an/an/a



University of Miami

Curated by ChEMBL


Assay Description
Inhibition of PTPN6


J Med Chem 52: 6649-59 (2009)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM50208359
PNG
(5,5'-methylenebis(2-hydroxybiphenyl-3-carboxylic a...)
Show SMILES OC(=O)c1cc(Cc2cc(C(O)=O)c(O)c(c2)-c2ccccc2)cc(c1O)-c1ccccc1
Show InChI InChI=1S/C27H20O6/c28-24-20(18-7-3-1-4-8-18)12-16(14-22(24)26(30)31)11-17-13-21(19-9-5-2-6-10-19)25(29)23(15-17)27(32)33/h1-10,12-15,28-29H,11H2,(H,30,31)(H,32,33)
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1.70E+4n/an/an/an/an/an/an/an/a



Inha University

Curated by ChEMBL


Assay Description
Inhibition of SHP-1 catalytic domain


Bioorg Med Chem Lett 17: 2760-4 (2007)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM50118751
PNG
(6-(Oxalyl-amino)-1H-indole-7-carboxylic acid | 6-(...)
Show SMILES OC(=O)C(=O)Nc1ccc2cc[nH]c2c1C(O)=O
Show InChI InChI=1S/C11H8N2O5/c14-9(11(17)18)13-6-2-1-5-3-4-12-8(5)7(6)10(15)16/h1-4,12H,(H,13,14)(H,15,16)(H,17,18)
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2.80E+4n/an/an/an/an/an/an/an/a



University of Miami

Curated by ChEMBL


Assay Description
Inhibition of PTPN6


J Med Chem 52: 6649-59 (2009)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM50119679
PNG
(2-[(S)-2-(2-{2-[4-(2-Bromo-acetyl)-phenoxy]-acetyl...)
Show SMILES OC(=O)CCC(NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)COc1ccc(cc1)C(=O)CBr)C(O)=O
Show InChI InChI=1S/C22H26BrN3O11/c23-9-16(27)12-1-3-13(4-2-12)37-11-18(29)24-10-17(28)25-14(5-7-19(30)31)21(34)26-15(22(35)36)6-8-20(32)33/h1-4,14-15H,5-11H2,(H,24,29)(H,25,28)(H,26,34)(H,30,31)(H,32,33)(H,35,36)/t14-,15?/m0/s1
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2.90E+4n/an/an/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Dissociation constant of the compound towards SHP 1 receptor-inhibitor complex was determined using PNP as substrate


Bioorg Med Chem Lett 12: 3047-50 (2002)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM50118749
PNG
(2-(Oxalyl-amino)-thiophene-3-carboxylic acid | 2-(...)
Show SMILES OC(=O)C(=O)Nc1sccc1C(O)=O
Show InChI InChI=1S/C7H5NO5S/c9-4(7(12)13)8-5-3(6(10)11)1-2-14-5/h1-2H,(H,8,9)(H,10,11)(H,12,13)
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6.00E+4n/an/an/an/an/an/an/an/a



University of Miami

Curated by ChEMBL


Assay Description
Inhibition of PTPN6


J Med Chem 52: 6649-59 (2009)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM50118778
PNG
(5-iodo-2-(oxaloamino)benzoic acid | CHEMBL336908)
Show SMILES OC(=O)C(=O)Nc1ccc(I)cc1C(O)=O
Show InChI InChI=1S/C9H6INO5/c10-4-1-2-6(5(3-4)8(13)14)11-7(12)9(15)16/h1-3H,(H,11,12)(H,13,14)(H,15,16)
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8.00E+4n/an/an/an/an/an/an/an/a



University of Miami

Curated by ChEMBL


Assay Description
Inhibition of PTPN6


J Med Chem 52: 6649-59 (2009)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM50299462
PNG
(2-(3-(dihydroxymethyl)naphthalen-2-ylamino)-2-oxoa...)
Show SMILES OC(O)c1cc2ccccc2cc1NC(=O)C(O)=O
Show InChI InChI=1S/C13H11NO5/c15-11(13(18)19)14-10-6-8-4-2-1-3-7(8)5-9(10)12(16)17/h1-6,12,16-17H,(H,14,15)(H,18,19)
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9.40E+4n/an/an/an/an/an/an/an/a



University of Miami

Curated by ChEMBL


Assay Description
Inhibition of PTPN6


J Med Chem 52: 6649-59 (2009)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM50118762
PNG
(2-(Oxalyl-amino)-4,5,6,7-tetrahydro-benzo[b]thioph...)
Show SMILES OC(=O)C(=O)Nc1sc2CCCCc2c1C(O)=O
Show InChI InChI=1S/C11H11NO5S/c13-8(11(16)17)12-9-7(10(14)15)5-3-1-2-4-6(5)18-9/h1-4H2,(H,12,13)(H,14,15)(H,16,17)
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PubMed
1.00E+5n/an/an/an/an/an/an/an/a



University of Miami

Curated by ChEMBL


Assay Description
Inhibition of PTPN6


J Med Chem 52: 6649-59 (2009)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM50119683
PNG
(2-[(S)-2-(2-{[4'-(2-Bromo-acetyl)-biphenyl-2-carbo...)
Show SMILES OC(=O)CCC(NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)c1ccccc1-c1ccc(cc1)C(=O)CBr)C(O)=O
Show InChI InChI=1S/C27H28BrN3O10/c28-13-21(32)16-7-5-15(6-8-16)17-3-1-2-4-18(17)25(38)29-14-22(33)30-19(9-11-23(34)35)26(39)31-20(27(40)41)10-12-24(36)37/h1-8,19-20H,9-14H2,(H,29,38)(H,30,33)(H,31,39)(H,34,35)(H,36,37)(H,40,41)/t19-,20?/m0/s1
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>2.00E+5n/an/an/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Dissociation constant of the compound towards SHP 1 receptor-inhibitor complex was determined using PNP as substrate


Bioorg Med Chem Lett 12: 3047-50 (2002)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM50299461
PNG
((S)-7-(1,1-Dioxo-1H-1lambda*6*-benzo[d]isothiazol-...)
Show SMILES OC(=O)C(=O)Nc1sc2[C@H](COC3=NS(=O)(=O)c4ccccc34)OCCc2c1C(O)=O
Show InChI InChI=1S/C18H14N2O9S2/c21-14(18(24)25)19-16-12(17(22)23)9-5-6-28-10(13(9)30-16)7-29-15-8-3-1-2-4-11(8)31(26,27)20-15/h1-4,10H,5-7H2,(H,19,21)(H,22,23)(H,24,25)/t10-/m0/s1
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2.89E+5n/an/an/an/an/an/an/an/a



University of Miami

Curated by ChEMBL


Assay Description
Inhibition of PTPN6


J Med Chem 52: 6649-59 (2009)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM50118744
PNG
(2-(Oxalyl-amino)-4,7-dihydro-5H-thieno[2,3-c]pyran...)
Show SMILES OC(=O)C(=O)Nc1sc2COCCc2c1C(O)=O
Show InChI InChI=1S/C10H9NO6S/c12-7(10(15)16)11-8-6(9(13)14)4-1-2-17-3-5(4)18-8/h1-3H2,(H,11,12)(H,13,14)(H,15,16)
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3.50E+5n/an/an/an/an/an/an/an/a



University of Miami

Curated by ChEMBL


Assay Description
Inhibition of PTPN6


J Med Chem 52: 6649-59 (2009)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM50118789
PNG
(2-(oxaloamino)benzoic acid | CHEMBL139050)
Show SMILES OC(=O)C(=O)Nc1ccccc1C(O)=O
Show InChI InChI=1S/C9H7NO5/c11-7(9(14)15)10-6-4-2-1-3-5(6)8(12)13/h1-4H,(H,10,11)(H,12,13)(H,14,15)
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5.10E+5n/an/an/an/an/an/an/an/a



University of Miami

Curated by ChEMBL


Assay Description
Inhibition of PTPN6


J Med Chem 52: 6649-59 (2009)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM50118779
PNG
(3-(Oxalyl-amino)-thiophene-2-carboxylic acid | 3-(...)
Show SMILES OC(=O)C(=O)Nc1ccsc1C(O)=O
Show InChI InChI=1S/C7H5NO5S/c9-5(7(12)13)8-3-1-2-14-4(3)6(10)11/h1-2H,(H,8,9)(H,10,11)(H,12,13)
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>2.00E+6n/an/an/an/an/an/an/an/a



University of Miami

Curated by ChEMBL


Assay Description
Inhibition of PTPN6


J Med Chem 52: 6649-59 (2009)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM50118792
PNG
(2-(OXALYL-AMINO)-4,5,6,7-TETRAHYDRO-THIENO[2,3-C]P...)
Show SMILES OC(=O)C(=O)Nc1sc2CNCCc2c1C(O)=O
Show InChI InChI=1S/C10H10N2O5S/c13-7(10(16)17)12-8-6(9(14)15)4-1-2-11-3-5(4)18-8/h11H,1-3H2,(H,12,13)(H,14,15)(H,16,17)
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>2.00E+6n/an/an/an/an/an/an/an/a



University of Miami

Curated by ChEMBL


Assay Description
Inhibition of PTPN6


J Med Chem 52: 6649-59 (2009)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM50045061
PNG
(CHEMBL3309790)
Show SMILES OC(=O)C(\O)=C\C(=O)c1cccc(Cn2cc(C(O)=O)c(=O)c3cc(I)ccc23)c1
Show InChI InChI=1S/C21H14INO7/c22-13-4-5-16-14(7-13)19(26)15(20(27)28)10-23(16)9-11-2-1-3-12(6-11)17(24)8-18(25)21(29)30/h1-8,10,25H,9H2,(H,27,28)(H,29,30)/b18-8-
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n/an/a 5.10n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of SHP1 (unknown origin) using 3-o-methylfluorescein phosphatase substrate by colorimetric assay


Bioorg Med Chem 22: 3670-83 (2014)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM50045060
PNG
(CHEMBL3309789)
Show SMILES CCOC(=O)C(\O)=C\C(=O)c1cccc(Cn2cc(C(O)=O)c(=O)c3cc(I)ccc23)c1
Show InChI InChI=1S/C23H18INO7/c1-2-32-23(31)20(27)10-19(26)14-5-3-4-13(8-14)11-25-12-17(22(29)30)21(28)16-9-15(24)6-7-18(16)25/h3-10,12,27H,2,11H2,1H3,(H,29,30)/b20-10-
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n/an/a 6.80n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of SHP1 (unknown origin) using 3-o-methylfluorescein phosphatase substrate by colorimetric assay


Bioorg Med Chem 22: 3670-83 (2014)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM50391109
PNG
(CHEMBL179166 | Sodium orthovanadate (SOV) | Vanada...)
Show SMILES [O-][V]([O-])([O-])=O
Show InChI InChI=1S/4O.V/q;3*-1;
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n/an/a 16n/an/an/an/an/an/a



Liaoning Normal University

Curated by ChEMBL


Assay Description
Inhibition of SHP1 (unknown origin)


Bioorg Med Chem Lett 24: 4125-8 (2014)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM50335865
PNG
(6-Hydroxy-2-(4-methoxyphenyl)-3-(1-(4-(naphthalen-...)
Show SMILES COc1ccc(cc1)-c1oc2cc(O)c(cc2c1-c1cn(CCCC(=O)Nc2cccc3ccccc23)nn1)C(O)=O
Show InChI InChI=1S/C32H26N4O6/c1-41-21-13-11-20(12-14-21)31-30(24-16-23(32(39)40)27(37)17-28(24)42-31)26-18-36(35-34-26)15-5-10-29(38)33-25-9-4-7-19-6-2-3-8-22(19)25/h2-4,6-9,11-14,16-18,37H,5,10,15H2,1H3,(H,33,38)(H,39,40)
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n/an/a 335n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Shp1


J Med Chem 54: 562-71 (2011)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM152210
PNG
(US8987474, NSC-87877)
Show SMILES Oc1c(cc(c2cccnc12)S(O)(=O)=O)N=Nc1ccc2cc(ccc2c1)S(O)(=O)=O
Show InChI InChI=1S/C19H13N3O7S2/c23-19-16(10-17(31(27,28)29)15-2-1-7-20-18(15)19)22-21-13-5-3-12-9-14(30(24,25)26)6-4-11(12)8-13/h1-10,23H,(H,24,25,26)(H,27,28,29)/b22-21+
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US Patent
n/an/a 355n/an/an/an/an/an/a



University of South Florida; H. Lee Moffitt Cancer Center and Research Institute, Inc.

US Patent


Assay Description
NSC-87877 ranked among top 10% (175th) of the compounds with the best GLIDE scores for the docking to the human Shp2 PTP domain in our virtual screen...


US Patent US8987474 (2015)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM50335867
PNG
(3-(1-(4-(4-Chloronaphthalen-1-ylamino)-4-oxobutyl)...)
Show SMILES Cc1ccc(cc1)-c1oc2cc(O)c(cc2c1-c1cn(CCCC(=O)Nc2ccc(Cl)c3ccccc23)nn1)C(O)=O
Show InChI InChI=1S/C32H25ClN4O5/c1-18-8-10-19(11-9-18)31-30(23-15-22(32(40)41)27(38)16-28(23)42-31)26-17-37(36-35-26)14-4-7-29(39)34-25-13-12-24(33)20-5-2-3-6-21(20)25/h2-3,5-6,8-13,15-17,38H,4,7,14H2,1H3,(H,34,39)(H,40,41)
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n/an/a 378n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Shp1


J Med Chem 54: 562-71 (2011)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM50335868
PNG
(6-Hydroxy-3-(1-(4-(naphthalen-1-ylamino)-4-oxobuty...)
Show SMILES Cc1ccc(cc1)-c1oc2cc(O)c(cc2c1-c1cn(CCCC(=O)Nc2cccc3ccccc23)nn1)C(O)=O
Show InChI InChI=1S/C32H26N4O5/c1-19-11-13-21(14-12-19)31-30(24-16-23(32(39)40)27(37)17-28(24)41-31)26-18-36(35-34-26)15-5-10-29(38)33-25-9-4-7-20-6-2-3-8-22(20)25/h2-4,6-9,11-14,16-18,37H,5,10,15H2,1H3,(H,33,38)(H,39,40)
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n/an/a 408n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Shp1


J Med Chem 54: 562-71 (2011)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM50335870
PNG
(6-Hydroxy-3-(1-(4-(6-methoxybenzo[d]thiazol-2-ylam...)
Show SMILES COc1ccc2nc(NC(=O)CCCn3cc(nn3)-c3c(oc4cc(O)c(cc34)C(O)=O)-c3cccc(C)c3)sc2c1
Show InChI InChI=1S/C30H25N5O6S/c1-16-5-3-6-17(11-16)28-27(20-13-19(29(38)39)23(36)14-24(20)41-28)22-15-35(34-33-22)10-4-7-26(37)32-30-31-21-9-8-18(40-2)12-25(21)42-30/h3,5-6,8-9,11-15,36H,4,7,10H2,1-2H3,(H,38,39)(H,31,32,37)
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n/an/a 486n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Shp1


J Med Chem 54: 562-71 (2011)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM50246668
PNG
(3-(benzo[d][1,3]dioxol-5-yl)-2-(5-((4aR,6aS,6bR,8a...)
Show SMILES CC1(C)CC[C@]2(CCCCC(=O)NC(Cc3ccc4OCOc4c3)C(O)=O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1
Show InChI InChI=1S/C44H65NO6/c1-39(2)20-22-44(17-9-8-10-37(47)45-31(38(48)49)24-28-11-13-32-33(25-28)51-27-50-32)23-21-42(6)29(30(44)26-39)12-14-35-41(5)18-16-36(46)40(3,4)34(41)15-19-43(35,42)7/h11-13,25,30-31,34-36,46H,8-10,14-24,26-27H2,1-7H3,(H,45,47)(H,48,49)/t30-,31?,34-,35+,36-,41-,42+,43+,44+/m0/s1
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n/an/a 710n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SHP1


Bioorg Med Chem 16: 8697-705 (2008)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM50425815
PNG
(CHEMBL2316908)
Show SMILES OC(=O)c1cc2c(C#Cc3ccc(Oc4ccccc4)cc3)c(oc2cc1O)-c1ccccc1
Show InChI InChI=1S/C29H18O5/c30-26-18-27-24(17-25(26)29(31)32)23(28(34-27)20-7-3-1-4-8-20)16-13-19-11-14-22(15-12-19)33-21-9-5-2-6-10-21/h1-12,14-15,17-18,30H,(H,31,32)
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n/an/a 760n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of SHP1 (unknown origin) expressed in Escherichia coli using pNPP substrate after 5 mins by spectrophotometric analysis


J Med Chem 56: 832-42 (2013)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM50246745
PNG
(3-(4-Carboxy-benzyloxy)-28-[4-butyric ((S)-1-carbo...)
Show SMILES CC1(C)CC[C@]2(CCCCC(=O)N[C@@H](Cc3ccccc3)C(O)=O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OCc6ccc(cc6)C(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1
Show InChI InChI=1S/C51H71NO6/c1-46(2)27-29-51(24-12-11-15-43(53)52-39(45(56)57)31-34-13-9-8-10-14-34)30-28-49(6)37(38(51)32-46)20-21-41-48(5)25-23-42(47(3,4)40(48)22-26-50(41,49)7)58-33-35-16-18-36(19-17-35)44(54)55/h8-10,13-14,16-20,38-42H,11-12,15,21-33H2,1-7H3,(H,52,53)(H,54,55)(H,56,57)/t38-,39-,40-,41+,42-,48-,49+,50+,51+/m0/s1
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n/an/a 890n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SHP1


Bioorg Med Chem 16: 8697-705 (2008)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM50436358
PNG
(CHEMBL2396718)
Show SMILES CCCNC(=O)COc1ccc(cc1)-c1oc2cc(O)c(cc2c1C#Cc1cccc(Cl)c1)C(O)=O
Show InChI InChI=1S/C28H22ClNO6/c1-2-12-30-26(32)16-35-20-9-7-18(8-10-20)27-21(11-6-17-4-3-5-19(29)13-17)22-14-23(28(33)34)24(31)15-25(22)36-27/h3-5,7-10,13-15,31H,2,12,16H2,1H3,(H,30,32)(H,33,34)
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n/an/a 910n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant SHP-1 (unknown origin) using pNPP as substrate by spectrophotometric analysis


J Med Chem 56: 4990-5008 (2013)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM124262
PNG
(Bis(4-chloro-2-((phenylimino)methyl)phenolate)-oxo...)
Show SMILES Clc1ccc2O[V]3(=O)(Oc4ccc(Cl)cc4C=[N]3c3ccccc3)[N](=Cc2c1)c1ccccc1
Show InChI InChI=1S/2C13H10ClNO.O.V/c2*14-11-6-7-13(16)10(8-11)9-15-12-4-2-1-3-5-12;;/h2*1-9,16H;;/q;;;+2/p-2/b2*15-9+;;
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n/an/a 1.00E+3n/an/an/an/an/an/a



Shanxi University



Assay Description
The assays were performed in 20 mM MOPS buffer, pH 7.2, containing 50 mM NaCl and 2 mM GSH. Compounds were dissolved in DMSO and diluted to various c...


Dalton Trans 41: 11116-24 (2012)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM50054344
PNG
(CHEMBL3319356)
Show SMILES Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2ccc(cc2)-c2ccsc2)c1
Show InChI InChI=1S/C28H20IN3O5S/c1-32-22-13-23(33)21(28(36)37)12-20(22)24(29)25(32)16-3-2-4-19(11-16)31-27(35)26(34)30-18-7-5-15(6-8-18)17-9-10-38-14-17/h2-14,33H,1H3,(H,30,34)(H,31,35)(H,36,37)
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n/an/a 1.44E+3n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of SHP1 (unknown origin)


J Med Chem 57: 6594-609 (2014)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM124261
PNG
(2-((5-Bromo-2-oxybenzylidene)amino)benzoato-diaqua...)
Show SMILES [OH2+][V]12([OH2+])(=O)OC(=O)c3ccccc3[N]1=Cc1cc(ccc1O2)[N+]([O-])=O
Show InChI InChI=1S/C14H10N2O5.2H2O.O.V/c17-13-6-5-10(16(20)21)7-9(13)8-15-12-4-2-1-3-11(12)14(18)19;;;;/h1-8,17H,(H,18,19);2*1H2;;/q;;;;+4/p-2/b15-8+;;;;
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n/an/a 1.90E+3n/an/an/an/an/an/a



Shanxi University



Assay Description
The assays were performed in 20 mM MOPS buffer, pH 7.2, containing 50 mM NaCl and 2 mM GSH. Compounds were dissolved in DMSO and diluted to various c...


Dalton Trans 41: 11116-24 (2012)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM51317
PNG
(1,6-dimethylnaphtho[1,2-g][1]benzofuran-10,11-dion...)
Show SMILES Cc1coc-2c1C(=O)C(=O)c1c-2ccc2c(C)cccc12
Show InChI InChI=1S/C18H12O3/c1-9-4-3-5-12-11(9)6-7-13-15(12)17(20)16(19)14-10(2)8-21-18(13)14/h3-8H,1-2H3
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n/an/a 1.97E+3n/an/an/an/an/an/a



Case Western Reserve University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged SHP1 PTP domain (unknown origin) using phospho-EGFR Asp-Ala-Asp-Glu-Tyr[PO3H2]-Leu-Ile-Pro-Gln-Gln-Gly as substrate preincub...


J Med Chem 56: 7212-21 (2013)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM83922
PNG
(1,6,6-trimethyl-8,9-dihydro-7H-naphtho[1,2-g][1]be...)
Show SMILES Cc1coc-2c1C(=O)C(=O)c1c3CCCC(C)(C)c3ccc-21
Show InChI InChI=1S/C19H18O3/c1-10-9-22-18-12-6-7-13-11(5-4-8-19(13,2)3)15(12)17(21)16(20)14(10)18/h6-7,9H,4-5,8H2,1-3H3
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n/an/a 2.14E+3n/an/an/an/an/an/a



Case Western Reserve University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged SHP1 PTP domain (unknown origin) using phospho-EGFR Asp-Ala-Asp-Glu-Tyr[PO3H2]-Leu-Ile-Pro-Gln-Gln-Gly as substrate preincub...


J Med Chem 56: 7212-21 (2013)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM50425808
PNG
(CHEMBL2316906)
Show SMILES OC(=O)c1cc2c(C#Cc3cc(F)cc(F)c3)c(oc2cc1O)-c1ccccc1
Show InChI InChI=1S/C23H12F2O4/c24-15-8-13(9-16(25)10-15)6-7-17-18-11-19(23(27)28)20(26)12-21(18)29-22(17)14-4-2-1-3-5-14/h1-5,8-12,26H,(H,27,28)
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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 SHP1 (unknown origin) expressed in Escherichia coli using pNPP substrate after 5 mins by spectrophotometric analysis


J Med Chem 56: 832-42 (2013)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM50425807
PNG
(CHEMBL2316902)
Show SMILES OC(=O)c1cc2c(C#Cc3cccc(c3)C(F)(F)F)c(oc2cc1O)-c1ccccc1
Show InChI InChI=1S/C24H13F3O4/c25-24(26,27)16-8-4-5-14(11-16)9-10-17-18-12-19(23(29)30)20(28)13-21(18)31-22(17)15-6-2-1-3-7-15/h1-8,11-13,28H,(H,29,30)
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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 SHP1 (unknown origin) expressed in Escherichia coli using pNPP substrate after 5 mins by spectrophotometric analysis


J Med Chem 56: 832-42 (2013)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM50133021
PNG
(CHEMBL3634592)
Show SMILES CCOc1ccc(cc1)S(=O)(=O)N(Cc1ccc(cc1)N(CC(=O)OC)S(C)(=O)=O)c1ccc(CN(Cc2ccccc2)S(C)(=O)=O)cc1
Show InChI InChI=1S/C34H39N3O9S3/c1-5-46-32-19-21-33(22-20-32)49(43,44)37(25-29-13-15-30(16-14-29)36(48(4,41)42)26-34(38)45-2)31-17-11-28(12-18-31)24-35(47(3,39)40)23-27-9-7-6-8-10-27/h6-22H,5,23-26H2,1-4H3
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n/an/a 2.31E+3n/an/an/an/an/an/a



Qilu University of Technology

Curated by ChEMBL


Assay Description
Inhibition of SHP1 (unknown origin) assessed as hydrolysis of pNPP to pNP after 30 mins


Bioorg Med Chem 23: 7079-88 (2015)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM50096222
PNG
(CHEMBL3593818)
Show SMILES CCOc1cc(NS(C)(=O)=O)c(OCC)cc1CNC(=O)Nc1ccc(Br)cc1
Show InChI InChI=1S/C33H47N5O6/c1-4-22(2)30-29(40)21-37-17-11-10-16-28(37)33(43)34-25(14-7-5-6-12-18-39)31(41)35-26(32(42)36-30)19-23-20-38(44-3)27-15-9-8-13-24(23)27/h8-9,13,15,18,20,22,25-26,28,30H,4-7,10-12,14,16-17,19,21H2,1-3H3,(H,34,43)(H,35,41)(H,36,42)/t22?,25-,26-,28+,30-/m0/s1
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n/an/a 2.31E+3n/an/an/an/an/an/a



Qilu University of Technology

Curated by ChEMBL


Assay Description
Inhibition of SHP1 (unknown origin) using pNPP as substrate


Bioorg Med Chem 23: 4891-8 (2015)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM50351780
PNG
(CHEMBL1823762)
Show SMILES OC(=O)C(Cc1ccc2cc(OCc3ccccc3F)ccc2c1)NC(=O)\C=C\c1ccccc1Cl
Show InChI InChI=1S/C29H23ClFNO4/c30-25-7-3-1-5-20(25)12-14-28(33)32-27(29(34)35)16-19-9-10-22-17-24(13-11-21(22)15-19)36-18-23-6-2-4-8-26(23)31/h1-15,17,27H,16,18H2,(H,32,33)(H,34,35)/b14-12+
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n/an/a 2.43E+3n/an/an/an/an/an/a



Yanbian University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SHP1 in Tris buffer at pH 8 using OMPF as substrate


Eur J Med Chem 46: 3630-8 (2011)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM50184997
PNG
(CHEMBL3822604)
Show SMILES COC(=O)CN(c1ccc(CN(c2ccc(OCc3ccc(C)cc3)c(c2)C(=O)OC)S(=O)(=O)Cc2ccccc2)cc1)S(C)(=O)=O
Show InChI InChI=1S/C34H36N2O9S2/c1-25-10-12-27(13-11-25)23-45-32-19-18-30(20-31(32)34(38)44-3)36(47(41,42)24-28-8-6-5-7-9-28)21-26-14-16-29(17-15-26)35(46(4,39)40)22-33(37)43-2/h5-20H,21-24H2,1-4H3
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n/an/a 2.45E+3n/an/an/an/an/an/a



Qilu University of Technology

Curated by ChEMBL


Assay Description
Inhibition of human SHP1 using pNPP as substrate incubated for 30 mins


Eur J Med Chem 118: 27-33 (2016)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM50425806
PNG
(CHEMBL2316907)
Show SMILES OC(=O)c1cc2c(C#Cc3ccc(OC(F)(F)F)cc3)c(oc2cc1O)-c1ccccc1
Show InChI InChI=1S/C24H13F3O5/c25-24(26,27)32-16-9-6-14(7-10-16)8-11-17-18-12-19(23(29)30)20(28)13-21(18)31-22(17)15-4-2-1-3-5-15/h1-7,9-10,12-13,28H,(H,29,30)
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n/an/a 2.49E+3n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of SHP1 (unknown origin) expressed in Escherichia coli using pNPP substrate after 5 mins by spectrophotometric analysis


J Med Chem 56: 832-42 (2013)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM124264
PNG
(Bis(4-nitro-2-((phenylimino)methyl)phenolate)-oxov...)
Show SMILES [O-][N+](=O)c1ccc2O[V]3(=O)(Oc4ccc(cc4C=[N]3c3ccccc3)[N+]([O-])=O)[N](=Cc2c1)c1ccccc1
Show InChI InChI=1S/2C13H10N2O3.O.V/c2*16-13-7-6-12(15(17)18)8-10(13)9-14-11-4-2-1-3-5-11;;/h2*1-9,16H;;/q;;;+2/p-2/b2*14-9+;;
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n/an/a 2.50E+3n/an/an/an/an/an/a



Shanxi University



Assay Description
The assays were performed in 20 mM MOPS buffer, pH 7.2, containing 50 mM NaCl and 2 mM GSH. Compounds were dissolved in DMSO and diluted to various c...


Dalton Trans 41: 11116-24 (2012)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM50425816
PNG
(CHEMBL2316910)
Show SMILES OC(=O)c1cc2c(C#Cc3ccc(F)cc3F)c(oc2cc1O)-c1ccccc1
Show InChI InChI=1S/C23H12F2O4/c24-15-8-6-13(19(25)10-15)7-9-16-17-11-18(23(27)28)20(26)12-21(17)29-22(16)14-4-2-1-3-5-14/h1-6,8,10-12,26H,(H,27,28)
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n/an/a 2.60E+3n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of SHP1 (unknown origin) expressed in Escherichia coli using pNPP substrate after 5 mins by spectrophotometric analysis


J Med Chem 56: 832-42 (2013)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM124260
PNG
(2-((5-Bromo-2-oxybenzylidene)amino)benzoato-diaqua...)
Show SMILES [OH2+][V]12([OH2+])(=O)OC(=O)c3ccccc3[N]1=Cc1cc(Br)ccc1O2
Show InChI InChI=1S/C14H10BrNO3.2H2O.O.V/c15-10-5-6-13(17)9(7-10)8-16-12-4-2-1-3-11(12)14(18)19;;;;/h1-8,17H,(H,18,19);2*1H2;;/q;;;;+4/p-2/b16-8+;;;;
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n/an/a 3.00E+3n/an/an/an/an/an/a



Shanxi University



Assay Description
The assays were performed in 20 mM MOPS buffer, pH 7.2, containing 50 mM NaCl and 2 mM GSH. Compounds were dissolved in DMSO and diluted to various c...


Dalton Trans 41: 11116-24 (2012)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM50348708
PNG
(CHEMBL1801440)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Oc1cc(OCc2ccc(cc2)C(F)(F)F)c(C=C2SC(O)=NC2=O)cc1Br
Show InChI InChI=1S/C25H17BrF3NO6S2/c1-14-2-8-18(9-3-14)38(33,34)36-21-12-20(35-13-15-4-6-17(7-5-15)25(27,28)29)16(10-19(21)26)11-22-23(31)30-24(32)37-22/h2-12H,13H2,1H3,(H,30,31,32)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Inha University

Curated by ChEMBL


Assay Description
Inhibition of catalytic domain of SHP-1 expressed in Escherichia coli assessed as p-nitrophenol release from pNPP substrate preincubated for 10 mins


Bioorg Med Chem Lett 20: 6758-63 (2010)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM50425818
PNG
(CHEMBL2316905)
Show SMILES OC(=O)c1cc2c(C#Cc3cccc(Cl)c3)c(oc2cc1O)-c1ccccc1
Show InChI InChI=1S/C23H13ClO4/c24-16-8-4-5-14(11-16)9-10-17-18-12-19(23(26)27)20(25)13-21(18)28-22(17)15-6-2-1-3-7-15/h1-8,11-13,25H,(H,26,27)
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n/an/a 3.40E+3n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of SHP1 (unknown origin) expressed in Escherichia coli using pNPP substrate after 5 mins by spectrophotometric analysis


J Med Chem 56: 832-42 (2013)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM50391428
PNG
(CHEMBL1358724)
Show SMILES CC1COC2=C1C(=O)C(=O)c1c2ccc2c(C)cccc12
Show InChI InChI=1S/C18H14O3/c1-9-4-3-5-12-11(9)6-7-13-15(12)17(20)16(19)14-10(2)8-21-18(13)14/h3-7,10H,8H2,1-2H3
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n/an/a 3.67E+3n/an/an/an/an/an/a



Case Western Reserve University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged SHP1 PTP domain (unknown origin) using phospho-EGFR Asp-Ala-Asp-Glu-Tyr[PO3H2]-Leu-Ile-Pro-Gln-Gln-Gly as substrate preincub...


J Med Chem 56: 7212-21 (2013)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM50425809
PNG
(CHEMBL2316896)
Show SMILES OC(=O)c1cc2c(CCc3ccc(Oc4ccccc4)cc3)c(oc2cc1O)-c1ccccc1
Show InChI InChI=1S/C29H22O5/c30-26-18-27-24(17-25(26)29(31)32)23(28(34-27)20-7-3-1-4-8-20)16-13-19-11-14-22(15-12-19)33-21-9-5-2-6-10-21/h1-12,14-15,17-18,30H,13,16H2,(H,31,32)
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n/an/a 3.70E+3n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of SHP1 (unknown origin) expressed in Escherichia coli using pNPP substrate after 5 mins by spectrophotometric analysis


J Med Chem 56: 832-42 (2013)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM124255
PNG
((3S,3aR,4S,7R,7aS)-4-acetyl-7-dodecyl-3-methyl-1-o...)
Show SMILES CCCCCCCCCCCCC\C=C\[C@]12[C@H]([C@H](C)OC1=O)[C@H](C(C)=O)C(=C[C@H]2CCCCCCCCCCCC)C(O)=O
Show InChI InChI=1S/C39H66O5/c1-5-7-9-11-13-15-17-18-19-21-23-25-27-29-39-33(28-26-24-22-20-16-14-12-10-8-6-2)30-34(37(41)42)35(31(3)40)36(39)32(4)44-38(39)43/h27,29-30,32-33,35-36H,5-26,28H2,1-4H3,(H,41,42)/b29-27+/t32-,33+,35+,36+,39-/m0/s1
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n/an/a 3.86E+3n/an/an/an/an/an/a



Lanzhou University





Org Biomol Chem 12: 3441-5 (2014)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM84581
PNG
(Thioxothiazolidinone derivative, 1)
Show SMILES COc1cc(\C=C2/SC(=S)N(C2=O)c2cccc(Cl)c2)cc(c1O)N(=O)=O
Show InChI InChI=1S/C17H11ClN2O5S2/c1-25-13-6-9(5-12(15(13)21)20(23)24)7-14-16(22)19(17(26)27-14)11-4-2-3-10(18)8-11/h2-8,21H,1H3/b14-7-
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n/an/a 3.90E+3n/an/an/an/a7.025



McGill University



Assay Description
PTP assay were conducted at 25 C in 96-well plates. Reaction rates were determined using a Variokan plate reader from Thermo Electron. For assay pH...


Chembiochem 8: 179-86 (2007)

More data for this
Ligand-Target Pair
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