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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with all data for entry = 50046143   
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


(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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Article
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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Article
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
Alkaline phosphatase placental type


(Homo sapiens)
BDBM50080274
PNG
(Benzyl-phosphonic acid | CHEMBL299737 | Phenyl-met...)
Show SMILES OP(O)(=O)Cc1ccccc1
Show InChI InChI=1S/C7H9O3P/c8-11(9,10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,8,9,10)
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Article
PubMed
5.80E+5n/an/an/an/an/an/an/an/a



University of Campinas

Curated by ChEMBL


Assay Description
Inhibition of human placental alkaline phosphatase using p-nitrophenyl phosphate substrate


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
Ectonucleotide pyrophosphatase/phosphodiesterase family member 3


(Bos taurus)
BDBM50080274
PNG
(Benzyl-phosphonic acid | CHEMBL299737 | Phenyl-met...)
Show SMILES OP(O)(=O)Cc1ccccc1
Show InChI InChI=1S/C7H9O3P/c8-11(9,10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,8,9,10)
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PubMed
1.40E+6n/an/an/an/an/an/an/an/a



University of Campinas

Curated by ChEMBL


Assay Description
Inhibition of bovine intestinal 5'-nucleotide phosphodiesterase using 4-nitrophenyl phenylphosphonate substrate by spectrophotometry


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
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50080274
PNG
(Benzyl-phosphonic acid | CHEMBL299737 | Phenyl-met...)
Show SMILES OP(O)(=O)Cc1ccccc1
Show InChI InChI=1S/C7H9O3P/c8-11(9,10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,8,9,10)
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CHEMBL
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PC cid
PC sid
PDB
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Article
PubMed
3.00E+6n/an/an/an/an/an/an/an/a



University of Campinas

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin) using nPP substrate


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