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Compile Data Set for Download or QSAR

Found 11 hits of ki data for polymerid = 8398,50006901   
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
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM50256796
PNG
(6,7-Dihydroxy-2-(4'-hydroxyphenyl)-3-[(1,1'-biphen...)
Show SMILES Oc1ccc(cc1)-c1oc2cc(O)c(O)cc2c(=O)c1Cc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C28H20O5/c29-21-12-10-20(11-13-21)28-23(27(32)22-15-24(30)25(31)16-26(22)33-28)14-17-6-8-19(9-7-17)18-4-2-1-3-5-18/h1-13,15-16,29-31H,14H2
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270n/an/an/an/an/an/an/an/a



University of Modena and R.E.

Curated by ChEMBL


Assay Description
Inhibition of human cloned LMW-PTP isoform 1 expressed in Escherichia coli TB1 by competitive inhibition assay


Bioorg Med Chem 17: 2658-72 (2009)


Article DOI: 10.1016/j.bmc.2009.02.060
BindingDB Entry DOI: 10.7270/Q2K0745F
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM50256796
PNG
(6,7-Dihydroxy-2-(4'-hydroxyphenyl)-3-[(1,1'-biphen...)
Show SMILES Oc1ccc(cc1)-c1oc2cc(O)c(O)cc2c(=O)c1Cc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C28H20O5/c29-21-12-10-20(11-13-21)28-23(27(32)22-15-24(30)25(31)16-26(22)33-28)14-17-6-8-19(9-7-17)18-4-2-1-3-5-18/h1-13,15-16,29-31H,14H2
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340n/an/an/an/an/an/an/an/a



University of Modena and R.E.

Curated by ChEMBL


Assay Description
Inhibition of human cloned LMW-PTP isoform 2 expressed in Escherichia coli TB1 by competitive inhibition assay


Bioorg Med Chem 17: 2658-72 (2009)


Article DOI: 10.1016/j.bmc.2009.02.060
BindingDB Entry DOI: 10.7270/Q2K0745F
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM199180
PNG
(US9217012, 10)
Show SMILES CCc1ccc(cc1)C(=O)NCCCCC(NC(=O)C(Cc1ccc(cc1)C(F)(F)P(O)(O)=O)NC(=O)C(Cc1ccccc1)NC(=O)COC1CC(C)CCC1C(C)C)C(N)=O
Show InChI InChI=1S/C46H62F2N5O9P/c1-5-31-15-19-34(20-16-31)43(56)50-24-10-9-13-37(42(49)55)52-45(58)39(27-33-17-21-35(22-18-33)46(47,48)63(59,60)61)53-44(57)38(26-32-11-7-6-8-12-32)51-41(54)28-62-40-25-30(4)14-23-36(40)29(2)3/h6-8,11-12,15-22,29-30,36-40H,5,9-10,13-14,23-28H2,1-4H3,(H2,49,55)(H,50,56)(H,51,54)(H,52,58)(H,53,57)(H2,59,60,61)
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US Patent
>1.00E+3>-34.2n/an/an/an/an/a7.025



Indiana University Research and Technology Corporation

US Patent


Assay Description
PTP activity was assayed using p-nitrophenyl phosphate (pNPP) as a substrate in DMG buffer (50 mM DMG, pH 7.0, 1 mM EDTA, 150 mM NaCl, 2 mM DTT, 0.1 ...


US Patent US9217012 (2015)


BindingDB Entry DOI: 10.7270/Q2FX788H
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM50257418
PNG
(7-Hydroxy-2-(4'-hydroxyphenyl)-3-[(3'',4''-dihydro...)
Show SMILES Oc1ccc(cc1)-c1oc2cc(O)ccc2c(=O)c1Cc1ccc(cc1)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C28H20O6/c29-20-8-5-18(6-9-20)28-23(27(33)22-11-10-21(30)15-26(22)34-28)13-16-1-3-17(4-2-16)19-7-12-24(31)25(32)14-19/h1-12,14-15,29-32H,13H2
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2.23E+3n/an/an/an/an/an/an/an/a



University of Modena and R.E.

Curated by ChEMBL


Assay Description
Inhibition of human cloned LMW-PTP isoform 1 expressed in Escherichia coli TB1 by mixed type inhibition assay


Bioorg Med Chem 17: 2658-72 (2009)


Article DOI: 10.1016/j.bmc.2009.02.060
BindingDB Entry DOI: 10.7270/Q2K0745F
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM50257294
PNG
(7-Hydroxy-2-(4'-hydroxyphenyl)-3-[(1,1'-biphenyl-4...)
Show SMILES Oc1ccc(cc1)-c1oc2cc(O)ccc2c(=O)c1Cc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C28H20O4/c29-22-12-10-21(11-13-22)28-25(27(31)24-15-14-23(30)17-26(24)32-28)16-18-6-8-20(9-7-18)19-4-2-1-3-5-19/h1-15,17,29-30H,16H2
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2.50E+3n/an/an/an/an/an/an/an/a



University of Modena and R.E.

Curated by ChEMBL


Assay Description
Inhibition of human cloned LMW-PTP isoform 1 expressed in Escherichia coli TB1 by mixed type inhibition assay


Bioorg Med Chem 17: 2658-72 (2009)


Article DOI: 10.1016/j.bmc.2009.02.060
BindingDB Entry DOI: 10.7270/Q2K0745F
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM50257418
PNG
(7-Hydroxy-2-(4'-hydroxyphenyl)-3-[(3'',4''-dihydro...)
Show SMILES Oc1ccc(cc1)-c1oc2cc(O)ccc2c(=O)c1Cc1ccc(cc1)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C28H20O6/c29-20-8-5-18(6-9-20)28-23(27(33)22-11-10-21(30)15-26(22)34-28)13-16-1-3-17(4-2-16)19-7-12-24(31)25(32)14-19/h1-12,14-15,29-32H,13H2
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2.68E+3n/an/an/an/an/an/an/an/a



University of Modena and R.E.

Curated by ChEMBL


Assay Description
Inhibition of human cloned LMW-PTP isoform 2 expressed in Escherichia coli TB1 by mixed type inhibition assay


Bioorg Med Chem 17: 2658-72 (2009)


Article DOI: 10.1016/j.bmc.2009.02.060
BindingDB Entry DOI: 10.7270/Q2K0745F
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM50250606
PNG
(CHEMBL4077342)
Show SMILES OP(O)(=O)C(F)(c1ccc(cc1)-c1cccc(Cc2cc(Cl)c(Cl)cc2Cl)c1F)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C24H21Cl3F2NO6PS/c25-20-14-22(27)21(26)13-17(20)12-16-2-1-3-19(23(16)28)15-4-6-18(7-5-15)24(29,37(31,32)33)38(34,35)30-8-10-36-11-9-30/h1-7,13-14H,8-12H2,(H2,31,32,33)
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6.20E+3n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of LMW-PTP (unknown origin) using pNPP as substrate preincubated for 5 mins followed by substrate addition measured for 20 mins by spectro...


J Med Chem 60: 9299-9319 (2017)

More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM50257294
PNG
(7-Hydroxy-2-(4'-hydroxyphenyl)-3-[(1,1'-biphenyl-4...)
Show SMILES Oc1ccc(cc1)-c1oc2cc(O)ccc2c(=O)c1Cc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C28H20O4/c29-22-12-10-21(11-13-22)28-25(27(31)24-15-14-23(30)17-26(24)32-28)16-18-6-8-20(9-7-18)19-4-2-1-3-5-19/h1-15,17,29-30H,16H2
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PubMed
7.80E+3n/an/an/an/an/an/an/an/a



University of Modena and R.E.

Curated by ChEMBL


Assay Description
Inhibition of human cloned LMW-PTP isoform 2 expressed in Escherichia coli TB1 by mixed type inhibition assay


Bioorg Med Chem 17: 2658-72 (2009)


Article DOI: 10.1016/j.bmc.2009.02.060
BindingDB Entry DOI: 10.7270/Q2K0745F
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM50312261
PNG
((4-(4-bromo-3,5-bis(trifluoromethyl)phenylcarbamoy...)
Show SMILES OP(O)(=O)C(F)(F)c1ccc(cc1)C(=O)Nc1cc(c(Br)c(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C16H9BrF8NO4P/c17-12-10(14(18,19)20)5-9(6-11(12)15(21,22)23)26-13(27)7-1-3-8(4-2-7)16(24,25)31(28,29)30/h1-6H,(H,26,27)(H2,28,29,30)
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PubMed
1.48E+4n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human HCPTPA


Bioorg Med Chem Lett 19: 6851-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.090
BindingDB Entry DOI: 10.7270/Q21G0MDK
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase


(Mus musculus)
BDBM50096252
PNG
(CHEMBL3594198)
Show SMILES OP(O)(=O)Cc1ccc(CCl)cc1
Show InChI InChI=1S/C36H62N4O6/c1-5-8-9-10-11-12-13-15-21-28(42)25-30-34(44)39-32(26(4)6-2)36(46)40-24-19-18-23-31(40)35(45)37-29(33(43)38-30)22-17-14-16-20-27(41)7-3/h26,29-32H,5-25H2,1-4H3,(H,37,45)(H,38,43)(H,39,44)/t26?,29-,30-,31+,32-/m0/s1
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PubMed
4.70E+4n/an/an/an/an/an/an/an/a



University of Campinas

Curated by ChEMBL


Assay Description
Competitive inhibition of mouse LMW-PTP expressed in Escherichia coli using pNPP substrate by Dixon plot


Bioorg Med Chem 23: 4462-71 (2015)


Article DOI: 10.1016/j.bmc.2015.06.017
BindingDB Entry DOI: 10.7270/Q2R78GZ7
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase


(Mus musculus)
BDBM50096253
PNG
(CHEMBL3593255)
Show SMILES OP(O)(=O)Cc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C35H49N5O7/c1-4-22(3)31-35(47)40-18-12-11-17-29(40)34(46)36-26(15-8-6-7-13-24(41)5-2)32(44)37-27(33(45)38-31)19-23-20-39(21-30(42)43)28-16-10-9-14-25(23)28/h9-10,14,16,20,22,26-27,29,31H,4-8,11-13,15,17-19,21H2,1-3H3,(H,36,46)(H,37,44)(H,38,45)(H,42,43)/t22?,26-,27-,29+,31-/m0/s1
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PubMed
1.24E+5n/an/an/an/an/an/an/an/a



University of Campinas

Curated by ChEMBL


Assay Description
Competitive inhibition of mouse LMW-PTP expressed in Escherichia coli using pNPP substrate by Dixon plot


Bioorg Med Chem 23: 4462-71 (2015)


Article DOI: 10.1016/j.bmc.2015.06.017
BindingDB Entry DOI: 10.7270/Q2R78GZ7
More data for this
Ligand-Target Pair