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Compile Data Set for Download or QSAR

Found 960 hits of ic50 data for polymerid = 8389   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM46247
PNG
(2-[4-[(E)-[[4-[2-(4-chloroanilino)-1,3-thiazol-4-y...)
Show SMILES OC(=O)COc1ccc(\C=N\NC(=O)c2ccc(cc2)-c2csc(Nc3ccc(Cl)cc3)n2)cc1
Show InChI InChI=1S/C25H19ClN4O4S/c26-19-7-9-20(10-8-19)28-25-29-22(15-35-25)17-3-5-18(6-4-17)24(33)30-27-13-16-1-11-21(12-2-16)34-14-23(31)32/h1-13,15H,14H2,(H,28,29)(H,30,33)(H,31,32)/b27-13+
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n/an/a 113n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2BZ64GK
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(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 171n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6xHis-tagged LYP catalytic domain (1 to 303) (unknown origin) expressed in Escherichia coli BL21(DE3) using pNPP as substrat...


J Med Chem 56: 4990-5008 (2013)


Article DOI: 10.1021/jm400248c
BindingDB Entry DOI: 10.7270/Q2N017XW
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM46247
PNG
(2-[4-[(E)-[[4-[2-(4-chloroanilino)-1,3-thiazol-4-y...)
Show SMILES OC(=O)COc1ccc(\C=N\NC(=O)c2ccc(cc2)-c2csc(Nc3ccc(Cl)cc3)n2)cc1
Show InChI InChI=1S/C25H19ClN4O4S/c26-19-7-9-20(10-8-19)28-25-29-22(15-35-25)17-3-5-18(6-4-17)24(33)30-27-13-16-1-11-21(12-2-16)34-14-23(31)32/h1-13,15H,14H2,(H,28,29)(H,30,33)(H,31,32)/b27-13+
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n/an/a 249n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, CA...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2B56H6M
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM50436357
PNG
(CHEMBL2396719)
Show SMILES OC(=O)c1cc2c(C#Cc3cccc(Cl)c3)c(oc2cc1O)-c1ccc(OCC(=O)NC2CC2)cc1
Show InChI InChI=1S/C28H20ClNO6/c29-18-3-1-2-16(12-18)4-11-21-22-13-23(28(33)34)24(31)14-25(22)36-27(21)17-5-9-20(10-6-17)35-15-26(32)30-19-7-8-19/h1-3,5-6,9-10,12-14,19,31H,7-8,15H2,(H,30,32)(H,33,34)
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n/an/a 250n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Reversible inhibition of N-terminal 6xHis-tagged LYP catalytic domain (1 to 303) (unknown origin) expressed in Escherichia coli BL21(DE3) using pNPP ...


J Med Chem 56: 4990-5008 (2013)


Article DOI: 10.1021/jm400248c
BindingDB Entry DOI: 10.7270/Q2N017XW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM50436360
PNG
(CHEMBL2396723)
Show SMILES COc1ccc(CNC(=O)COc2ccc(cc2)-c2oc3cc(O)c(cc3c2C#Cc2cccc(Cl)c2)C(O)=O)cc1OC
Show InChI InChI=1S/C34H26ClNO8/c1-41-29-13-7-21(15-31(29)42-2)18-36-32(38)19-43-24-10-8-22(9-11-24)33-25(12-6-20-4-3-5-23(35)14-20)26-16-27(34(39)40)28(37)17-30(26)44-33/h3-5,7-11,13-17,37H,18-19H2,1-2H3,(H,36,38)(H,39,40)
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n/an/a 259n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6xHis-tagged LYP catalytic domain (1 to 303) (unknown origin) expressed in Escherichia coli BL21(DE3) using pNPP as substrat...


J Med Chem 56: 4990-5008 (2013)


Article DOI: 10.1021/jm400248c
BindingDB Entry DOI: 10.7270/Q2N017XW
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM50436357
PNG
(CHEMBL2396719)
Show SMILES OC(=O)c1cc2c(C#Cc3cccc(Cl)c3)c(oc2cc1O)-c1ccc(OCC(=O)NC2CC2)cc1
Show InChI InChI=1S/C28H20ClNO6/c29-18-3-1-2-16(12-18)4-11-21-22-13-23(28(33)34)24(31)14-25(22)36-27(21)17-5-9-20(10-6-17)35-15-26(32)30-19-7-8-19/h1-3,5-6,9-10,12-14,19,31H,7-8,15H2,(H,30,32)(H,33,34)
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n/an/a 259n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6xHis-tagged LYP catalytic domain (1 to 303) (unknown origin) expressed in Escherichia coli BL21(DE3) using pNPP as substrat...


J Med Chem 56: 4990-5008 (2013)


Article DOI: 10.1021/jm400248c
BindingDB Entry DOI: 10.7270/Q2N017XW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM50436357
PNG
(CHEMBL2396719)
Show SMILES OC(=O)c1cc2c(C#Cc3cccc(Cl)c3)c(oc2cc1O)-c1ccc(OCC(=O)NC2CC2)cc1
Show InChI InChI=1S/C28H20ClNO6/c29-18-3-1-2-16(12-18)4-11-21-22-13-23(28(33)34)24(31)14-25(22)36-27(21)17-5-9-20(10-6-17)35-15-26(32)30-19-7-8-19/h1-3,5-6,9-10,12-14,19,31H,7-8,15H2,(H,30,32)(H,33,34)
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n/an/a 259n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6xHis-tagged LYP catalytic domain (1 to 294) (unknown origin) expressed in Escherichia coli BL21(DE3) using pNPP as substrat...


J Med Chem 56: 4990-5008 (2013)


Article DOI: 10.1021/jm400248c
BindingDB Entry DOI: 10.7270/Q2N017XW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM50436357
PNG
(CHEMBL2396719)
Show SMILES OC(=O)c1cc2c(C#Cc3cccc(Cl)c3)c(oc2cc1O)-c1ccc(OCC(=O)NC2CC2)cc1
Show InChI InChI=1S/C28H20ClNO6/c29-18-3-1-2-16(12-18)4-11-21-22-13-23(28(33)34)24(31)14-25(22)36-27(21)17-5-9-20(10-6-17)35-15-26(32)30-19-7-8-19/h1-3,5-6,9-10,12-14,19,31H,7-8,15H2,(H,30,32)(H,33,34)
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n/an/a 259n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Reversible inhibition of N-terminal 6xHis-tagged LYP catalytic domain (1 to 303) (unknown origin) expressed in Escherichia coli BL21(DE3) using pNPP ...


J Med Chem 56: 4990-5008 (2013)


Article DOI: 10.1021/jm400248c
BindingDB Entry DOI: 10.7270/Q2N017XW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM50436363
PNG
(CHEMBL2396720)
Show SMILES OC(=O)c1cc2c(C#Cc3cccc(Cl)c3)c(oc2cc1O)-c1ccc(OCC(=O)Nc2ccccc2)cc1
Show InChI InChI=1S/C31H20ClNO6/c32-21-6-4-5-19(15-21)9-14-24-25-16-26(31(36)37)27(34)17-28(25)39-30(24)20-10-12-23(13-11-20)38-18-29(35)33-22-7-2-1-3-8-22/h1-8,10-13,15-17,34H,18H2,(H,33,35)(H,36,37)
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n/an/a 263n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6xHis-tagged LYP catalytic domain (1 to 303) (unknown origin) expressed in Escherichia coli BL21(DE3) using pNPP as substrat...


J Med Chem 56: 4990-5008 (2013)


Article DOI: 10.1021/jm400248c
BindingDB Entry DOI: 10.7270/Q2N017XW
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM50335864
PNG
(3-(1-(4-(4-bromonaphthalen-1-ylamino)-4-oxobutyl)-...)
Show SMILES Cc1ccc(cc1)-c1oc2cc(O)c(cc2c1-c1cn(CCCC(=O)Nc2ccc(Br)c3ccccc23)nn1)C(O)=O
Show InChI InChI=1S/C32H25BrN4O5/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 270n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant LyP assessed as hydrolysis of DiFMUP


J Med Chem 54: 562-71 (2011)


Article DOI: 10.1021/jm101004d
BindingDB Entry DOI: 10.7270/Q2N016T4
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM50436364
PNG
(CHEMBL2396717)
Show SMILES CC(C)c1ccc(NC(=O)COc2cccc(c2)-c2oc3cc(O)c(cc3c2C#Cc2cccc(Cl)c2)C(O)=O)cc1
Show InChI InChI=1S/C34H26ClNO6/c1-20(2)22-10-12-25(13-11-22)36-32(38)19-41-26-8-4-6-23(16-26)33-27(14-9-21-5-3-7-24(35)15-21)28-17-29(34(39)40)30(37)18-31(28)42-33/h3-8,10-13,15-18,20,37H,19H2,1-2H3,(H,36,38)(H,39,40)
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n/an/a 300n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6xHis-tagged LYP catalytic domain (1 to 294) (unknown origin) expressed in Escherichia coli BL21(DE3) using pNPP as substrat...


J Med Chem 56: 4990-5008 (2013)


Article DOI: 10.1021/jm400248c
BindingDB Entry DOI: 10.7270/Q2N017XW
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM50436364
PNG
(CHEMBL2396717)
Show SMILES CC(C)c1ccc(NC(=O)COc2cccc(c2)-c2oc3cc(O)c(cc3c2C#Cc2cccc(Cl)c2)C(O)=O)cc1
Show InChI InChI=1S/C34H26ClNO6/c1-20(2)22-10-12-25(13-11-22)36-32(38)19-41-26-8-4-6-23(16-26)33-27(14-9-21-5-3-7-24(35)15-21)28-17-29(34(39)40)30(37)18-31(28)42-33/h3-8,10-13,15-18,20,37H,19H2,1-2H3,(H,36,38)(H,39,40)
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n/an/a 300n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6xHis-tagged LYP catalytic domain (1 to 303) (unknown origin) expressed in Escherichia coli BL21(DE3) using pNPP as substrat...


J Med Chem 56: 4990-5008 (2013)


Article DOI: 10.1021/jm400248c
BindingDB Entry DOI: 10.7270/Q2N017XW
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM50436362
PNG
(CHEMBL2396721)
Show SMILES OC(=O)c1cc2c(C#Cc3cccc(Cl)c3)c(oc2cc1O)-c1ccc(OCC(=O)NC23CC4CC(CC(C4)C2)C3)cc1
Show InChI InChI=1S/C35H30ClNO6/c36-25-3-1-2-20(13-25)4-9-27-28-14-29(34(40)41)30(38)15-31(28)43-33(27)24-5-7-26(8-6-24)42-19-32(39)37-35-16-21-10-22(17-35)12-23(11-21)18-35/h1-3,5-8,13-15,21-23,38H,10-12,16-19H2,(H,37,39)(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 N-terminal 6xHis-tagged LYP catalytic domain (1 to 303) (unknown origin) expressed in Escherichia coli BL21(DE3) using pNPP as substrat...


J Med Chem 56: 4990-5008 (2013)


Article DOI: 10.1021/jm400248c
BindingDB Entry DOI: 10.7270/Q2N017XW
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(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 340n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant LyP assessed as hydrolysis of DiFMUP


J Med Chem 54: 562-71 (2011)


Article DOI: 10.1021/jm101004d
BindingDB Entry DOI: 10.7270/Q2N016T4
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM50335866
PNG
(6-hydroxy-2-(4-methoxyphenyl)-3-(1-(4-(4-nitronaph...)
Show SMILES COc1ccc(cc1)-c1oc2cc(O)c(cc2c1-c1cn(CCCC(=O)Nc2ccc([N+]([O-])=O)c3ccccc23)nn1)C(O)=O
Show InChI InChI=1S/C32H25N5O8/c1-44-19-10-8-18(9-11-19)31-30(23-15-22(32(40)41)27(38)16-28(23)45-31)25-17-36(35-34-25)14-4-7-29(39)33-24-12-13-26(37(42)43)21-6-3-2-5-20(21)24/h2-3,5-6,8-13,15-17,38H,4,7,14H2,1H3,(H,33,39)(H,40,41)
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n/an/a 340n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant LyP assessed as hydrolysis of DiFMUP


J Med Chem 54: 562-71 (2011)


Article DOI: 10.1021/jm101004d
BindingDB Entry DOI: 10.7270/Q2N016T4
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM46247
PNG
(2-[4-[(E)-[[4-[2-(4-chloroanilino)-1,3-thiazol-4-y...)
Show SMILES OC(=O)COc1ccc(\C=N\NC(=O)c2ccc(cc2)-c2csc(Nc3ccc(Cl)cc3)n2)cc1
Show InChI InChI=1S/C25H19ClN4O4S/c26-19-7-9-20(10-8-19)28-25-29-22(15-35-25)17-3-5-18(6-4-17)24(33)30-27-13-16-1-11-21(12-2-16)34-14-23(31)32/h1-13,15H,14H2,(H,28,29)(H,30,33)(H,31,32)/b27-13+
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n/an/a 369n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, CA...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2M9073J
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(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 380n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant LyP assessed as hydrolysis of DiFMUP


J Med Chem 54: 562-71 (2011)


Article DOI: 10.1021/jm101004d
BindingDB Entry DOI: 10.7270/Q2N016T4
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM50377800
PNG
(CHEMBL442448)
Show SMILES COC(=O)c1cc(ccc1O)-c1ccc(\C=C2/SC(=O)N(CCC(O)=O)C2=O)s1
Show InChI InChI=1S/C19H15NO7S2/c1-27-18(25)12-8-10(2-4-13(12)21)14-5-3-11(28-14)9-15-17(24)20(19(26)29-15)7-6-16(22)23/h2-5,8-9,21H,6-7H2,1H3,(H,22,23)/b15-9-
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n/an/a 390n/an/an/an/an/an/a



Columbia University

Curated by ChEMBL


Assay Description
Inhibition of lymphoid specific tyrosine phosphatase


Bioorg Med Chem Lett 18: 2840-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.079
BindingDB Entry DOI: 10.7270/Q28S4QSJ
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(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 410n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant LyP assessed as hydrolysis of DiFMUP


J Med Chem 54: 562-71 (2011)


Article DOI: 10.1021/jm101004d
BindingDB Entry DOI: 10.7270/Q2N016T4
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM50335869
PNG
(6-hydroxy-3-(1-(4-oxo-4-(pyren-1-ylamino)butyl)-1H...)
Show SMILES Cc1ccc(cc1)-c1oc2cc(O)c(cc2c1-c1cn(CCCC(=O)Nc2ccc3ccc4cccc5ccc2c3c45)nn1)C(O)=O
Show InChI InChI=1S/C38H28N4O5/c1-21-7-9-25(10-8-21)37-36(28-18-27(38(45)46)31(43)19-32(28)47-37)30-20-42(41-40-30)17-3-6-33(44)39-29-16-14-24-12-11-22-4-2-5-23-13-15-26(29)35(24)34(22)23/h2,4-5,7-16,18-20,43H,3,6,17H2,1H3,(H,39,44)(H,45,46)
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n/an/a 480n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant LyP assessed as hydrolysis of DiFMUP


J Med Chem 54: 562-71 (2011)


Article DOI: 10.1021/jm101004d
BindingDB Entry DOI: 10.7270/Q2N016T4
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(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 520n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant LyP assessed as hydrolysis of DiFMUP


J Med Chem 54: 562-71 (2011)


Article DOI: 10.1021/jm101004d
BindingDB Entry DOI: 10.7270/Q2N016T4
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM46247
PNG
(2-[4-[(E)-[[4-[2-(4-chloroanilino)-1,3-thiazol-4-y...)
Show SMILES OC(=O)COc1ccc(\C=N\NC(=O)c2ccc(cc2)-c2csc(Nc3ccc(Cl)cc3)n2)cc1
Show InChI InChI=1S/C25H19ClN4O4S/c26-19-7-9-20(10-8-19)28-25-29-22(15-35-25)17-3-5-18(6-4-17)24(33)30-27-13-16-1-11-21(12-2-16)34-14-23(31)32/h1-13,15H,14H2,(H,28,29)(H,30,33)(H,31,32)/b27-13+
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n/an/a 527n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2F76B1X
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM50436361
PNG
(CHEMBL2396722)
Show SMILES OC(=O)c1cc2c(C#Cc3cccc(Cl)c3)c(oc2cc1O)-c1ccc(OCC(=O)N2CCC(CC2)c2ccc(Cl)c(Cl)c2)cc1
Show InChI InChI=1S/C36H26Cl3NO6/c37-25-3-1-2-21(16-25)4-10-27-28-18-29(36(43)44)32(41)19-33(28)46-35(27)23-5-8-26(9-6-23)45-20-34(42)40-14-12-22(13-15-40)24-7-11-30(38)31(39)17-24/h1-3,5-9,11,16-19,22,41H,12-15,20H2,(H,43,44)
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n/an/a 550n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6xHis-tagged LYP catalytic domain (1 to 303) (unknown origin) expressed in Escherichia coli BL21(DE3) using pNPP as substrat...


J Med Chem 56: 4990-5008 (2013)


Article DOI: 10.1021/jm400248c
BindingDB Entry DOI: 10.7270/Q2N017XW
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM50335871
PNG
(3-(1-(4-(4-chloronaphthalen-1-ylamino)-4-oxobutyl)...)
Show SMILES OC(=O)c1cc2c(-c3cn(CCCC(=O)Nc4ccc(Cl)c5ccccc45)nn3)c(oc2cc1O)-c1ccccc1
Show InChI InChI=1S/C31H23ClN4O5/c32-23-12-13-24(20-10-5-4-9-19(20)23)33-28(38)11-6-14-36-17-25(34-35-36)29-22-15-21(31(39)40)26(37)16-27(22)41-30(29)18-7-2-1-3-8-18/h1-5,7-10,12-13,15-17,37H,6,11,14H2,(H,33,38)(H,39,40)
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n/an/a 560n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant LyP assessed as hydrolysis of DiFMUP


J Med Chem 54: 562-71 (2011)


Article DOI: 10.1021/jm101004d
BindingDB Entry DOI: 10.7270/Q2N016T4
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM75324
PNG
(4-[5-[(Z)-[3-(4-nitrophenyl)-4-oxidanylidene-2-sul...)
Show SMILES OC(=O)c1ccc(cc1)-c1ccc(\C=C2/SC(=S)N(C2=O)c2ccc(cc2)[N+]([O-])=O)o1
Show InChI InChI=1S/C21H12N2O6S2/c24-19-18(31-21(30)22(19)14-5-7-15(8-6-14)23(27)28)11-16-9-10-17(29-16)12-1-3-13(4-2-12)20(25)26/h1-11H,(H,25,26)/b18-11-
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n/an/a 602n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, CA...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2M9073J
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM50335872
PNG
(3-(1-(4-(6-fluorobenzo[d]thiazol-2-ylamino)-4-oxob...)
Show SMILES Cc1cccc(c1)-c1oc2cc(O)c(cc2c1-c1cn(CCCC(=O)Nc2nc3ccc(F)cc3s2)nn1)C(O)=O
Show InChI InChI=1S/C29H22FN5O5S/c1-15-4-2-5-16(10-15)27-26(19-12-18(28(38)39)22(36)13-23(19)40-27)21-14-35(34-33-21)9-3-6-25(37)32-29-31-20-8-7-17(30)11-24(20)41-29/h2,4-5,7-8,10-14,36H,3,6,9H2,1H3,(H,38,39)(H,31,32,37)
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n/an/a 610n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant LyP assessed as hydrolysis of DiFMUP


J Med Chem 54: 562-71 (2011)


Article DOI: 10.1021/jm101004d
BindingDB Entry DOI: 10.7270/Q2N016T4
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM50436367
PNG
(CHEMBL2396714)
Show SMILES OC(=O)c1cc2c(C#Cc3ccc(Cl)c(Cl)c3)c(oc2cc1O)-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C24H11Cl2F3O5/c25-18-8-2-12(9-19(18)26)1-7-15-16-10-17(23(31)32)20(30)11-21(16)33-22(15)13-3-5-14(6-4-13)34-24(27,28)29/h2-6,8-11,30H,(H,31,32)
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n/an/a 610n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6xHis-tagged LYP catalytic domain (1 to 303) (unknown origin) expressed in Escherichia coli BL21(DE3) using pNPP as substrat...


J Med Chem 56: 4990-5008 (2013)


Article DOI: 10.1021/jm400248c
BindingDB Entry DOI: 10.7270/Q2N017XW
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM46247
PNG
(2-[4-[(E)-[[4-[2-(4-chloroanilino)-1,3-thiazol-4-y...)
Show SMILES OC(=O)COc1ccc(\C=N\NC(=O)c2ccc(cc2)-c2csc(Nc3ccc(Cl)cc3)n2)cc1
Show InChI InChI=1S/C25H19ClN4O4S/c26-19-7-9-20(10-8-19)28-25-29-22(15-35-25)17-3-5-18(6-4-17)24(33)30-27-13-16-1-11-21(12-2-16)34-14-23(31)32/h1-13,15H,14H2,(H,28,29)(H,30,33)(H,31,32)/b27-13+
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n/an/a 626n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2QZ28FP
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(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 630n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


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


J Med Chem 56: 832-42 (2013)


Article DOI: 10.1021/jm301781p
BindingDB Entry DOI: 10.7270/Q2KK9D4X
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(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 630n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6xHis-tagged LYP catalytic domain (1 to 303) (unknown origin) expressed in Escherichia coli BL21(DE3) using pNPP as substrat...


J Med Chem 56: 4990-5008 (2013)


Article DOI: 10.1021/jm400248c
BindingDB Entry DOI: 10.7270/Q2N017XW
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM50335873
PNG
(6-hydroxy-3-(1-(4-(4-nitronaphthalen-1-ylamino)-4-...)
Show SMILES Cc1ccc(cc1)-c1oc2cc(O)c(cc2c1-c1cn(CCCC(=O)Nc2ccc([N+]([O-])=O)c3ccccc23)nn1)C(O)=O
Show InChI InChI=1S/C32H25N5O7/c1-18-8-10-19(11-9-18)31-30(23-15-22(32(40)41)27(38)16-28(23)44-31)25-17-36(35-34-25)14-4-7-29(39)33-24-12-13-26(37(42)43)21-6-3-2-5-20(21)24/h2-3,5-6,8-13,15-17,38H,4,7,14H2,1H3,(H,33,39)(H,40,41)
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n/an/a 640n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant LyP assessed as hydrolysis of DiFMUP


J Med Chem 54: 562-71 (2011)


Article DOI: 10.1021/jm101004d
BindingDB Entry DOI: 10.7270/Q2N016T4
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM50335874
PNG
(6-hydroxy-3-(1-(4-oxo-4-(phenylamino)butyl)-1H-1,2...)
Show SMILES Cc1cccc(c1)-c1oc2cc(O)c(cc2c1-c1cn(CCCC(=O)Nc2ccccc2)nn1)C(O)=O
Show InChI InChI=1S/C28H24N4O5/c1-17-7-5-8-18(13-17)27-26(21-14-20(28(35)36)23(33)15-24(21)37-27)22-16-32(31-30-22)12-6-11-25(34)29-19-9-3-2-4-10-19/h2-5,7-10,13-16,33H,6,11-12H2,1H3,(H,29,34)(H,35,36)
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n/an/a 650n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant LyP assessed as hydrolysis of DiFMUP


J Med Chem 54: 562-71 (2011)


Article DOI: 10.1021/jm101004d
BindingDB Entry DOI: 10.7270/Q2N016T4
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM50335875
PNG
(3-(1-(4-(benzylamino)-4-oxobutyl)-1H-1,2,3-triazol...)
Show SMILES Cc1cccc(c1)-c1oc2cc(O)c(cc2c1-c1cn(CCCC(=O)NCc2ccccc2)nn1)C(O)=O
Show InChI InChI=1S/C29H26N4O5/c1-18-7-5-10-20(13-18)28-27(22-14-21(29(36)37)24(34)15-25(22)38-28)23-17-33(32-31-23)12-6-11-26(35)30-16-19-8-3-2-4-9-19/h2-5,7-10,13-15,17,34H,6,11-12,16H2,1H3,(H,30,35)(H,36,37)
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n/an/a 650n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant LyP assessed as hydrolysis of DiFMUP


J Med Chem 54: 562-71 (2011)


Article DOI: 10.1021/jm101004d
BindingDB Entry DOI: 10.7270/Q2N016T4
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM50436359
PNG
(CHEMBL2396724)
Show SMILES OC(=O)c1cc2c(C#Cc3cccc(Cl)c3)c(oc2cc1O)-c1ccc(OCC(=O)NCCc2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C33H22Cl3NO6/c34-22-3-1-2-19(14-22)4-11-25-26-16-27(33(40)41)29(38)17-30(26)43-32(25)21-6-9-24(10-7-21)42-18-31(39)37-13-12-20-5-8-23(35)15-28(20)36/h1-3,5-10,14-17,38H,12-13,18H2,(H,37,39)(H,40,41)
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n/an/a 670n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6xHis-tagged LYP catalytic domain (1 to 303) (unknown origin) expressed in Escherichia coli BL21(DE3) using pNPP as substrat...


J Med Chem 56: 4990-5008 (2013)


Article DOI: 10.1021/jm400248c
BindingDB Entry DOI: 10.7270/Q2N017XW
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM50436368
PNG
(CHEMBL2396713)
Show SMILES OC(=O)c1cc2c(C#Cc3cccc(Cl)c3)c(oc2cc1O)-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C24H12ClF3O5/c25-15-3-1-2-13(10-15)4-9-17-18-11-19(23(30)31)20(29)12-21(18)32-22(17)14-5-7-16(8-6-14)33-24(26,27)28/h1-3,5-8,10-12,29H,(H,30,31)
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n/an/a 680n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6xHis-tagged LYP catalytic domain (1 to 303) (unknown origin) expressed in Escherichia coli BL21(DE3) using pNPP as substrat...


J Med Chem 56: 4990-5008 (2013)


Article DOI: 10.1021/jm400248c
BindingDB Entry DOI: 10.7270/Q2N017XW
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM50436368
PNG
(CHEMBL2396713)
Show SMILES OC(=O)c1cc2c(C#Cc3cccc(Cl)c3)c(oc2cc1O)-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C24H12ClF3O5/c25-15-3-1-2-13(10-15)4-9-17-18-11-19(23(30)31)20(29)12-21(18)32-22(17)14-5-7-16(8-6-14)33-24(26,27)28/h1-3,5-8,10-12,29H,(H,30,31)
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n/an/a 680n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6xHis-tagged LYP catalytic domain (1 to 294) (unknown origin) expressed in Escherichia coli BL21(DE3) using pNPP as substrat...


J Med Chem 56: 4990-5008 (2013)


Article DOI: 10.1021/jm400248c
BindingDB Entry DOI: 10.7270/Q2N017XW
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM50335876
PNG
(3-(1-(4-(4-bromonaphthalen-1-ylamino)-4-oxobutyl)-...)
Show SMILES OC(=O)c1cc2c(-c3cn(CCCC(=O)Nc4ccc(Br)c5ccccc45)nn3)c(oc2cc1O)-c1ccccc1
Show InChI InChI=1S/C31H23BrN4O5/c32-23-12-13-24(20-10-5-4-9-19(20)23)33-28(38)11-6-14-36-17-25(34-35-36)29-22-15-21(31(39)40)26(37)16-27(22)41-30(29)18-7-2-1-3-8-18/h1-5,7-10,12-13,15-17,37H,6,11,14H2,(H,33,38)(H,39,40)
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n/an/a 710n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant LyP assessed as hydrolysis of DiFMUP


J Med Chem 54: 562-71 (2011)


Article DOI: 10.1021/jm101004d
BindingDB Entry DOI: 10.7270/Q2N016T4
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM50335877
PNG
(3-(1-(4-(benzylamino)-4-oxobutyl)-1H-1,2,3-triazol...)
Show SMILES OC(=O)c1cc2c(-c3cn(CCCC(=O)NCc4ccccc4)nn3)c(oc2cc1O)-c1ccccc1
Show InChI InChI=1S/C28H24N4O5/c33-23-15-24-21(14-20(23)28(35)36)26(27(37-24)19-10-5-2-6-11-19)22-17-32(31-30-22)13-7-12-25(34)29-16-18-8-3-1-4-9-18/h1-6,8-11,14-15,17,33H,7,12-13,16H2,(H,29,34)(H,35,36)
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n/an/a 740n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant LyP assessed as hydrolysis of DiFMUP


J Med Chem 54: 562-71 (2011)


Article DOI: 10.1021/jm101004d
BindingDB Entry DOI: 10.7270/Q2N016T4
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM50335878
PNG
(6-hydroxy-3-(1-(2-(naphthalen-1-ylamino)-2-oxoethy...)
Show SMILES OC(=O)c1cc2c(-c3cn(CC(=O)Nc4cccc5ccccc45)nn3)c(oc2cc1O)-c1ccccc1
Show InChI InChI=1S/C29H20N4O5/c34-24-14-25-21(13-20(24)29(36)37)27(28(38-25)18-8-2-1-3-9-18)23-15-33(32-31-23)16-26(35)30-22-12-6-10-17-7-4-5-11-19(17)22/h1-15,34H,16H2,(H,30,35)(H,36,37)
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n/an/a 770n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant LyP assessed as hydrolysis of DiFMUP


J Med Chem 54: 562-71 (2011)


Article DOI: 10.1021/jm101004d
BindingDB Entry DOI: 10.7270/Q2N016T4
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM54770
PNG
(3-[[(E)-3-[4-(4-bromobenzyl)oxy-3-ethoxy-phenyl]-2...)
Show SMILES CCOc1cc(\C=C(/C#N)C(=O)Nc2cccc(c2)C(O)=O)ccc1OCc1ccc(Br)cc1
Show InChI InChI=1S/C26H21BrN2O5/c1-2-33-24-13-18(8-11-23(24)34-16-17-6-9-21(27)10-7-17)12-20(15-28)25(30)29-22-5-3-4-19(14-22)26(31)32/h3-14H,2,16H2,1H3,(H,29,30)(H,31,32)/b20-12+
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n/an/a 775n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2QZ28FP
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM46212
PNG
(2-[2-chloranyl-6-methoxy-4-[(Z)-[3-[2-[(4-methylph...)
Show SMILES COc1cc(\C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc(Cl)c1OCC(O)=O
Show InChI InChI=1S/C22H19ClN2O7S/c1-12-3-5-14(6-4-12)24-18(26)10-25-21(29)17(33-22(25)30)9-13-7-15(23)20(16(8-13)31-2)32-11-19(27)28/h3-9H,10-11H2,1-2H3,(H,24,26)(H,27,28)/b17-9-
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n/an/a 803n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, CA...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2M9073J
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM75324
PNG
(4-[5-[(Z)-[3-(4-nitrophenyl)-4-oxidanylidene-2-sul...)
Show SMILES OC(=O)c1ccc(cc1)-c1ccc(\C=C2/SC(=S)N(C2=O)c2ccc(cc2)[N+]([O-])=O)o1
Show InChI InChI=1S/C21H12N2O6S2/c24-19-18(31-21(30)22(19)14-5-7-15(8-6-14)23(27)28)11-16-9-10-17(29-16)12-1-3-13(4-2-12)20(25)26/h1-11H,(H,25,26)/b18-11-
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n/an/a 821n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2QZ28FP
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM50335879
PNG
(3-(1-(4-(cyclohexylamino)-4-oxobutyl)-1H-1,2,3-tri...)
Show SMILES Cc1ccc(cc1)-c1oc2cc(O)c(cc2c1-c1cn(CCCC(=O)NC2CCCCC2)nn1)C(O)=O
Show InChI InChI=1S/C28H30N4O5/c1-17-9-11-18(12-10-17)27-26(21-14-20(28(35)36)23(33)15-24(21)37-27)22-16-32(31-30-22)13-5-8-25(34)29-19-6-3-2-4-7-19/h9-12,14-16,19,33H,2-8,13H2,1H3,(H,29,34)(H,35,36)
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n/an/a 900n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant LyP assessed as hydrolysis of DiFMUP


J Med Chem 54: 562-71 (2011)


Article DOI: 10.1021/jm101004d
BindingDB Entry DOI: 10.7270/Q2N016T4
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM50335880
PNG
(6-hydroxy-3-(1-(3-(naphthalen-1-ylamino)-3-oxoprop...)
Show SMILES OC(=O)c1cc2c(-c3cn(CCC(=O)Nc4cccc5ccccc45)nn3)c(oc2cc1O)-c1ccccc1
Show InChI InChI=1S/C30H22N4O5/c35-25-16-26-22(15-21(25)30(37)38)28(29(39-26)19-8-2-1-3-9-19)24-17-34(33-32-24)14-13-27(36)31-23-12-6-10-18-7-4-5-11-20(18)23/h1-12,15-17,35H,13-14H2,(H,31,36)(H,37,38)
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n/an/a 910n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant LyP assessed as hydrolysis of DiFMUP


J Med Chem 54: 562-71 (2011)


Article DOI: 10.1021/jm101004d
BindingDB Entry DOI: 10.7270/Q2N016T4
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM65971
PNG
(3-[[(E)-3-[4-(4-bromobenzyl)oxyphenyl]-2-cyano-acr...)
Show SMILES OC(=O)c1cccc(NC(=O)C(=C\c2ccc(OCc3ccc(Br)cc3)cc2)\C#N)c1
Show InChI InChI=1S/C24H17BrN2O4/c25-20-8-4-17(5-9-20)15-31-22-10-6-16(7-11-22)12-19(14-26)23(28)27-21-3-1-2-18(13-21)24(29)30/h1-13H,15H2,(H,27,28)(H,29,30)/b19-12+
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n/an/a 925n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2QZ28FP
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM31756
PNG
(6,7-dimethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]...)
Show SMILES Cc1ccc2C3C=CCC3C(Nc2c1C)C(O)=O
Show InChI InChI=1S/C15H17NO2/c1-8-6-7-12-10-4-3-5-11(10)14(15(17)18)16-13(12)9(8)2/h3-4,6-7,10-11,14,16H,5H2,1-2H3,(H,17,18)
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n/an/a 940n/an/an/an/an/an/a



Columbia University Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
LYP, a lymphocyte specific protein tyrosine phosphatase that plays a critical regulatory role in T cell receptor signaling, is encoded by the PTPN22 ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2Z899TZ
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM65972
PNG
(3-[[(E)-2-cyano-3-[4-(4-fluorobenzyl)oxyphenyl]acr...)
Show SMILES OC(=O)c1cccc(NC(=O)C(=C\c2ccc(OCc3ccc(F)cc3)cc2)\C#N)c1
Show InChI InChI=1S/C24H17FN2O4/c25-20-8-4-17(5-9-20)15-31-22-10-6-16(7-11-22)12-19(14-26)23(28)27-21-3-1-2-18(13-21)24(29)30/h1-13H,15H2,(H,27,28)(H,29,30)/b19-12+
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n/an/a 967n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2QZ28FP
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM50335881
PNG
(3-(1-(4-(benzylamino)-4-oxobutyl)-1H-1,2,3-triazol...)
Show SMILES Cc1ccc(cc1)-c1oc2cc(O)c(cc2c1-c1cn(CCCC(=O)NCc2ccccc2)nn1)C(O)=O
Show InChI InChI=1S/C29H26N4O5/c1-18-9-11-20(12-10-18)28-27(22-14-21(29(36)37)24(34)15-25(22)38-28)23-17-33(32-31-23)13-5-8-26(35)30-16-19-6-3-2-4-7-19/h2-4,6-7,9-12,14-15,17,34H,5,8,13,16H2,1H3,(H,30,35)(H,36,37)
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n/an/a 970n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant LyP assessed as hydrolysis of DiFMUP


J Med Chem 54: 562-71 (2011)


Article DOI: 10.1021/jm101004d
BindingDB Entry DOI: 10.7270/Q2N016T4
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM50117
PNG
(3-[(5E)-5-[[5-(1,3-benzothiazol-2-yl)-2-furanyl]me...)
Show SMILES OC(=O)CCN1C(=S)S\C(=C\c2ccc(o2)-c2nc3ccccc3s2)C1=O
Show InChI InChI=1S/C18H12N2O4S3/c21-15(22)7-8-20-17(23)14(27-18(20)25)9-10-5-6-12(24-10)16-19-11-3-1-2-4-13(11)26-16/h1-6,9H,7-8H2,(H,21,22)/b14-9+
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n/an/a 980n/an/an/an/an/an/a



Columbia University

Curated by ChEMBL


Assay Description
Inhibition of lymphoid specific tyrosine phosphatase


Bioorg Med Chem Lett 18: 2840-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.079
BindingDB Entry DOI: 10.7270/Q28S4QSJ
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(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 990n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


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


J Med Chem 56: 832-42 (2013)


Article DOI: 10.1021/jm301781p
BindingDB Entry DOI: 10.7270/Q2KK9D4X
More data for this
Ligand-Target Pair
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