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PubMed code 19822431

Compile data set for download or QSAR
Found 13 hits of Enzyme Inhibition Constant Data   
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
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens (Human))
BDBM50304608
PNG
(5,5'-(propane-1,3-diyl)bis(1,3,4-oxadiazole-2(3H)-...)
Show SMILES Sc1nnc(CCCc2nnc(S)o2)o1
Show InChI InChI=1S/C7H8N4O2S2/c14-6-10-8-4(12-6)2-1-3-5-9-11-7(15)13-5/h1-3H2,(H,10,14)(H,11,15)
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1.50E+5n/an/an/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of human recombinant NPP1 by Dixon plot analysis


Bioorg Med Chem 17: 7816-22 (2009)


Article DOI: 10.1016/j.bmc.2009.09.011
BindingDB Entry DOI: 10.7270/Q2ZC82X2
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens (Human))
BDBM50304607
PNG
(5-(3-(benzyloxy)phenyl)-1,3,4-oxadiazole-2(3H)-thi...)
Show SMILES Sc1nnc(o1)-c1cccc(OCc2ccccc2)c1
Show InChI InChI=1S/C15H12N2O2S/c20-15-17-16-14(19-15)12-7-4-8-13(9-12)18-10-11-5-2-1-3-6-11/h1-9H,10H2,(H,17,20)
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PubMed
3.60E+5n/an/an/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of human recombinant NPP1 by Dixon plot analysis


Bioorg Med Chem 17: 7816-22 (2009)


Article DOI: 10.1016/j.bmc.2009.09.011
BindingDB Entry DOI: 10.7270/Q2ZC82X2
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens (Human))
BDBM50304609
PNG
(5-[4-t-Butyldimethylsilyloxy phenyl]-1,3,4-oxadiaz...)
Show SMILES CC(C)(C)[Si](C)(C)Oc1ccc(cc1)-c1nnc(S)o1
Show InChI InChI=1S/C14H20N2O2SSi/c1-14(2,3)20(4,5)18-11-8-6-10(7-9-11)12-15-16-13(19)17-12/h6-9H,1-5H3,(H,16,19)
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3.60E+5n/an/an/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of human recombinant NPP1 by Dixon plot analysis


Bioorg Med Chem 17: 7816-22 (2009)


Article DOI: 10.1016/j.bmc.2009.09.011
BindingDB Entry DOI: 10.7270/Q2ZC82X2
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens (Human))
BDBM50304605
PNG
(5-(4-hydroxyphenyl)-1,3,4-thiadiazole-2(3H)-thione...)
Show SMILES Oc1ccc(cc1)-c1nnc(S)s1
Show InChI InChI=1S/C8H6N2OS2/c11-6-3-1-5(2-4-6)7-9-10-8(12)13-7/h1-4,11H,(H,10,12)
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PubMed
8.50E+5n/an/an/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of human recombinant NPP1 by Dixon plot analysis


Bioorg Med Chem 17: 7816-22 (2009)


Article DOI: 10.1016/j.bmc.2009.09.011
BindingDB Entry DOI: 10.7270/Q2ZC82X2
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens (Human))
BDBM50304606
PNG
(5-(4-(benzyloxy)phenyl)-1,3,4-oxadiazole-2(3H)-thi...)
Show SMILES Sc1nnc(o1)-c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C15H12N2O2S/c20-15-17-16-14(19-15)12-6-8-13(9-7-12)18-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,17,20)
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Article
PubMed
8.50E+5n/an/an/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of human recombinant NPP1 by Dixon plot analysis


Bioorg Med Chem 17: 7816-22 (2009)


Article DOI: 10.1016/j.bmc.2009.09.011
BindingDB Entry DOI: 10.7270/Q2ZC82X2
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens (Human))
BDBM50304609
PNG
(5-[4-t-Butyldimethylsilyloxy phenyl]-1,3,4-oxadiaz...)
Show SMILES CC(C)(C)[Si](C)(C)Oc1ccc(cc1)-c1nnc(S)o1
Show InChI InChI=1S/C14H20N2O2SSi/c1-14(2,3)20(4,5)18-11-8-6-10(7-9-11)12-15-16-13(19)17-12/h6-9H,1-5H3,(H,16,19)
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n/an/a 3.68E+5n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NPP1 assessed as release of p-nitrophenol by microtitre plate spectrophotometry


Bioorg Med Chem 17: 7816-22 (2009)


Article DOI: 10.1016/j.bmc.2009.09.011
BindingDB Entry DOI: 10.7270/Q2ZC82X2
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens (Human))
BDBM50304608
PNG
(5,5'-(propane-1,3-diyl)bis(1,3,4-oxadiazole-2(3H)-...)
Show SMILES Sc1nnc(CCCc2nnc(S)o2)o1
Show InChI InChI=1S/C7H8N4O2S2/c14-6-10-8-4(12-6)2-1-3-5-9-11-7(15)13-5/h1-3H2,(H,10,14)(H,11,15)
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n/an/a 4.67E+5n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NPP1 assessed as release of p-nitrophenol by microtitre plate spectrophotometry


Bioorg Med Chem 17: 7816-22 (2009)


Article DOI: 10.1016/j.bmc.2009.09.011
BindingDB Entry DOI: 10.7270/Q2ZC82X2
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens (Human))
BDBM50304607
PNG
(5-(3-(benzyloxy)phenyl)-1,3,4-oxadiazole-2(3H)-thi...)
Show SMILES Sc1nnc(o1)-c1cccc(OCc2ccccc2)c1
Show InChI InChI=1S/C15H12N2O2S/c20-15-17-16-14(19-15)12-7-4-8-13(9-12)18-10-11-5-2-1-3-6-11/h1-9H,10H2,(H,17,20)
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PubMed
n/an/a 4.94E+5n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NPP1 assessed as release of p-nitrophenol by microtitre plate spectrophotometry


Bioorg Med Chem 17: 7816-22 (2009)


Article DOI: 10.1016/j.bmc.2009.09.011
BindingDB Entry DOI: 10.7270/Q2ZC82X2
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens (Human))
BDBM50304606
PNG
(5-(4-(benzyloxy)phenyl)-1,3,4-oxadiazole-2(3H)-thi...)
Show SMILES Sc1nnc(o1)-c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C15H12N2O2S/c20-15-17-16-14(19-15)12-6-8-13(9-7-12)18-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,17,20)
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PubMed
n/an/a 6.28E+5n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NPP1 assessed as release of p-nitrophenol by microtitre plate spectrophotometry


Bioorg Med Chem 17: 7816-22 (2009)


Article DOI: 10.1016/j.bmc.2009.09.011
BindingDB Entry DOI: 10.7270/Q2ZC82X2
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens (Human))
BDBM50304605
PNG
(5-(4-hydroxyphenyl)-1,3,4-thiadiazole-2(3H)-thione...)
Show SMILES Oc1ccc(cc1)-c1nnc(S)s1
Show InChI InChI=1S/C8H6N2OS2/c11-6-3-1-5(2-4-6)7-9-10-8(12)13-7/h1-4,11H,(H,10,12)
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n/an/a 9.00E+5n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NPP1 assessed as release of p-nitrophenol by microtitre plate spectrophotometry


Bioorg Med Chem 17: 7816-22 (2009)


Article DOI: 10.1016/j.bmc.2009.09.011
BindingDB Entry DOI: 10.7270/Q2ZC82X2
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens (Human))
BDBM50304604
PNG
(5-(pyridin-4-yl)-1,3,4-thiadiazole-2(3H)-thione | ...)
Show SMILES Sc1nnc(s1)-c1ccncc1
Show InChI InChI=1S/C7H5N3S2/c11-7-10-9-6(12-7)5-1-3-8-4-2-5/h1-4H,(H,10,11)
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PubMed
n/an/a 9.98E+5n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NPP1 assessed as release of p-nitrophenol by microtitre plate spectrophotometry


Bioorg Med Chem 17: 7816-22 (2009)


Article DOI: 10.1016/j.bmc.2009.09.011
BindingDB Entry DOI: 10.7270/Q2ZC82X2
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens (Human))
BDBM50304602
PNG
(5-(4-(tert-butyldimethylsilyloxy)phenyl)-1,3,4-thi...)
Show SMILES CC(C)(C)[Si](C)(C)Oc1ccc(cc1)-c1nnc(S)s1
Show InChI InChI=1S/C14H20N2OS2Si/c1-14(2,3)20(4,5)17-11-8-6-10(7-9-11)12-15-16-13(18)19-12/h6-9H,1-5H3,(H,16,18)
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n/an/a>1.00E+6n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NPP1 assessed as release of p-nitrophenol by microtitre plate spectrophotometry


Bioorg Med Chem 17: 7816-22 (2009)


Article DOI: 10.1016/j.bmc.2009.09.011
BindingDB Entry DOI: 10.7270/Q2ZC82X2
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens (Human))
BDBM50304603
PNG
(5,5'-methylenebis(1,3,4-oxadiazole-2(3H)-thione) |...)
Show SMILES Sc1nnc(Cc2nnc(S)o2)o1
Show InChI InChI=1S/C5H4N4O2S2/c12-4-8-6-2(10-4)1-3-7-9-5(13)11-3/h1H2,(H,8,12)(H,9,13)
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n/an/a>1.00E+6n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NPP1 assessed as release of p-nitrophenol by microtitre plate spectrophotometry


Bioorg Med Chem 17: 7816-22 (2009)


Article DOI: 10.1016/j.bmc.2009.09.011
BindingDB Entry DOI: 10.7270/Q2ZC82X2
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%