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Compile Data Set for Download or QSAR

Found 307 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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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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1.00E+5n/an/an/an/an/an/an/an/a



University of Miami

Curated by ChEMBL


Assay Description
Inhibition of PTPN6


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


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


(Homo sapiens (Human))
BDBM50391109
PNG
(CHEMBL179166 | Vanadates)
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)


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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...


Citation and Details
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)


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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...


Citation and Details
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


Citation and Details
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


Citation and Details
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...


Citation and Details
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


Citation and Details
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...


Citation and Details
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


Citation and Details
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





Citation and Details
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...


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


(Homo sapiens (Human))
BDBM50220217
PNG
(CHEMBL238138 | [3-hydroxy-3',5'-bis-trifluoromethy...)
Show SMILES OC(=O)COc1c(O)cc(cc1OCc1ccc(cc1)C(F)(F)F)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C24H15F9O5/c25-22(26,27)15-3-1-12(2-4-15)10-37-19-8-14(7-18(34)21(19)38-11-20(35)36)13-5-16(23(28,29)30)9-17(6-13)24(31,32)33/h1-9,34H,10-11H2,(H,35,36)
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n/an/a 4.00E+3n/an/an/an/an/an/a



Inha University

Curated by ChEMBL


Assay Description
Inhibition of SHP-1 catalytic domain after 10 mins


Citation and Details
More data for this
Ligand-Target Pair
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