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Compile Data Set for Download or QSAR

Found 96 hits Enz. Inhib. hit(s) with Target = 'Ectonucleotide pyrophosphatase/phosphodiesterase family member 1' 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
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens)
BDBM50031825
PNG
(CHEMBL3360892)
Show SMILES COc1ccc(NC(=O)CSc2nc3c(N)ncnc3[nH]2)cc1OC
Show InChI InChI=1S/C15H16N6O3S/c1-23-9-4-3-8(5-10(9)24-2)19-11(22)6-25-15-20-12-13(16)17-7-18-14(12)21-15/h3-5,7H,6H2,1-2H3,(H,19,22)(H3,16,17,18,20,21)
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5n/an/an/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Inhibition of human NPP1 using p-Nph-5'-TMP as substrate


Citation and Details
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens)
BDBM50031825
PNG
(CHEMBL3360892)
Show SMILES COc1ccc(NC(=O)CSc2nc3c(N)ncnc3[nH]2)cc1OC
Show InChI InChI=1S/C15H16N6O3S/c1-23-9-4-3-8(5-10(9)24-2)19-11(22)6-25-15-20-12-13(16)17-7-18-14(12)21-15/h3-5,7H,6H2,1-2H3,(H,19,22)(H3,16,17,18,20,21)
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5n/an/an/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Competitive inhibition of human NPP1 using p-Nph-5'-TMP as substrate by Lineweaver-Burk plot analysis


Citation and Details
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens)
BDBM50031824
PNG
(CHEMBL3360893)
Show SMILES COc1ccc(NC(=O)CSc2nc3c(nc[nH]c3=O)[nH]2)cc1OC
Show InChI InChI=1S/C15H15N5O4S/c1-23-9-4-3-8(5-10(9)24-2)18-11(21)6-25-15-19-12-13(20-15)16-7-17-14(12)22/h3-5,7H,6H2,1-2H3,(H,18,21)(H2,16,17,19,20,22)
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20n/an/an/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Inhibition of human NPP1 using p-Nph-5'-TMP as substrate


Citation and Details
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens)
BDBM50031824
PNG
(CHEMBL3360893)
Show SMILES COc1ccc(NC(=O)CSc2nc3c(nc[nH]c3=O)[nH]2)cc1OC
Show InChI InChI=1S/C15H15N5O4S/c1-23-9-4-3-8(5-10(9)24-2)18-11(21)6-25-15-19-12-13(20-15)16-7-17-14(12)22/h3-5,7H,6H2,1-2H3,(H,18,21)(H2,16,17,19,20,22)
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20n/an/an/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Competitive inhibition of human NPP1 using p-Nph-5'-TMP as substrate by Lineweaver-Burk plot analysis


Citation and Details
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens)
BDBM50019296
PNG
(CHEMBL3289396)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)CP(O)(=O)OP(O)(O)=S)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C11H18N5O11P3S/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(26-11)1-25-28(19,20)4-29(21,22)27-30(23,24)31/h2-3,5,7-8,11,17-18H,1,4H2,(H,19,20)(H,21,22)(H2,12,13,14)(H2,23,24,31)/t5-,7-,8-,11-/m1/s1
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20n/an/an/an/an/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Mixed type inhibition of human NPP1 using pNP-TMP as substrate after 20 mins by Dixon and Cornish-Bowden method


Citation and Details
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens)
BDBM50031827
PNG
(CHEMBL3360884)
Show SMILES COc1ccc2nc(SCC(=O)Nc3ccc(OC)c(OC)c3)[nH]c2n1
Show InChI InChI=1S/C17H18N4O4S/c1-23-12-6-4-10(8-13(12)24-2)18-14(22)9-26-17-19-11-5-7-15(25-3)20-16(11)21-17/h4-8H,9H2,1-3H3,(H,18,22)(H,19,20,21)
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30n/an/an/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Inhibition of human NPP1 using p-Nph-5'-TMP as substrate


Citation and Details
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens)
BDBM50031827
PNG
(CHEMBL3360884)
Show SMILES COc1ccc2nc(SCC(=O)Nc3ccc(OC)c(OC)c3)[nH]c2n1
Show InChI InChI=1S/C17H18N4O4S/c1-23-12-6-4-10(8-13(12)24-2)18-14(22)9-26-17-19-11-5-7-15(25-3)20-16(11)21-17/h4-8H,9H2,1-3H3,(H,18,22)(H,19,20,21)
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30n/an/an/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Competitive inhibition of human NPP1 using p-Nph-5'-TMP as substrate by Lineweaver-Burk plot analysis


Citation and Details
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens)
BDBM50031817
PNG
(CHEMBL3360901)
Show SMILES COc1ccc(NC(=O)CSc2nc3c([nH]2)[nH]c(=O)[nH]c3=O)cc1OC
Show InChI InChI=1S/C15H15N5O5S/c1-24-8-4-3-7(5-9(8)25-2)16-10(21)6-26-15-17-11-12(19-15)18-14(23)20-13(11)22/h3-5H,6H2,1-2H3,(H,16,21)(H3,17,18,19,20,22,23)
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36n/an/an/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Inhibition of human NPP1 using p-Nph-5'-TMP as substrate


Citation and Details
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens)
BDBM50031817
PNG
(CHEMBL3360901)
Show SMILES COc1ccc(NC(=O)CSc2nc3c([nH]2)[nH]c(=O)[nH]c3=O)cc1OC
Show InChI InChI=1S/C15H15N5O5S/c1-24-8-4-3-7(5-9(8)25-2)16-10(21)6-26-15-17-11-12(19-15)18-14(23)20-13(11)22/h3-5H,6H2,1-2H3,(H,16,21)(H3,17,18,19,20,22,23)
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36n/an/an/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Competitive inhibition of human NPP1 using p-Nph-5'-TMP as substrate by Lineweaver-Burk plot analysis


Citation and Details
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens)
BDBM50031881
PNG
(CHEMBL3360878)
Show SMILES COc1ccc(NC(=O)CSc2nc3cnccc3[nH]2)cc1OC
Show InChI InChI=1S/C16H16N4O3S/c1-22-13-4-3-10(7-14(13)23-2)18-15(21)9-24-16-19-11-5-6-17-8-12(11)20-16/h3-8H,9H2,1-2H3,(H,18,21)(H,19,20)
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44n/an/an/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Inhibition of human NPP1 using p-Nph-5'-TMP as substrate


Citation and Details
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens)
BDBM50031881
PNG
(CHEMBL3360878)
Show SMILES COc1ccc(NC(=O)CSc2nc3cnccc3[nH]2)cc1OC
Show InChI InChI=1S/C16H16N4O3S/c1-22-13-4-3-10(7-14(13)23-2)18-15(21)9-24-16-19-11-5-6-17-8-12(11)20-16/h3-8H,9H2,1-2H3,(H,18,21)(H,19,20)
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44n/an/an/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Competitive inhibition of human NPP1 using p-Nph-5'-TMP as substrate by Lineweaver-Burk plot analysis


Citation and Details
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens)
BDBM50031826
PNG
(CHEMBL3360885)
Show SMILES COc1ccc(NC(=O)CSc2nc3c(C)ccnc3[nH]2)cc1OC
Show InChI InChI=1S/C17H18N4O3S/c1-10-6-7-18-16-15(10)20-17(21-16)25-9-14(22)19-11-4-5-12(23-2)13(8-11)24-3/h4-8H,9H2,1-3H3,(H,19,22)(H,18,20,21)
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127n/an/an/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Inhibition of human NPP1 using p-Nph-5'-TMP as substrate


Citation and Details
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens)
BDBM50031826
PNG
(CHEMBL3360885)
Show SMILES COc1ccc(NC(=O)CSc2nc3c(C)ccnc3[nH]2)cc1OC
Show InChI InChI=1S/C17H18N4O3S/c1-10-6-7-18-16-15(10)20-17(21-16)25-9-14(22)19-11-4-5-12(23-2)13(8-11)24-3/h4-8H,9H2,1-3H3,(H,19,22)(H,18,20,21)
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127n/an/an/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Competitive inhibition of human NPP1 using p-Nph-5'-TMP as substrate by Lineweaver-Burk plot analysis


Citation and Details
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens)
BDBM50031830
PNG
(CHEMBL3360880)
Show SMILES COc1ccc(NC(=O)CSc2nc3nccnc3[nH]2)cc1OC
Show InChI InChI=1S/C15H15N5O3S/c1-22-10-4-3-9(7-11(10)23-2)18-12(21)8-24-15-19-13-14(20-15)17-6-5-16-13/h3-7H,8H2,1-2H3,(H,18,21)(H,16,17,19,20)
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131n/an/an/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Inhibition of human NPP1 using p-Nph-5'-TMP as substrate


Citation and Details
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens)
BDBM50031830
PNG
(CHEMBL3360880)
Show SMILES COc1ccc(NC(=O)CSc2nc3nccnc3[nH]2)cc1OC
Show InChI InChI=1S/C15H15N5O3S/c1-22-10-4-3-9(7-11(10)23-2)18-12(21)8-24-15-19-13-14(20-15)17-6-5-16-13/h3-7H,8H2,1-2H3,(H,18,21)(H,16,17,19,20)
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131n/an/an/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Competitive inhibition of human NPP1 using p-Nph-5'-TMP as substrate by Lineweaver-Burk plot analysis


Citation and Details
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens)
BDBM50031829
PNG
(CHEMBL3360882)
Show SMILES COc1ccc(NC(=O)CSc2nc3cc(Cl)cnc3[nH]2)cc1OC
Show InChI InChI=1S/C16H15ClN4O3S/c1-23-12-4-3-10(6-13(12)24-2)19-14(22)8-25-16-20-11-5-9(17)7-18-15(11)21-16/h3-7H,8H2,1-2H3,(H,19,22)(H,18,20,21)
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137n/an/an/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Inhibition of human NPP1 using p-Nph-5'-TMP as substrate


Citation and Details
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens)
BDBM50031829
PNG
(CHEMBL3360882)
Show SMILES COc1ccc(NC(=O)CSc2nc3cc(Cl)cnc3[nH]2)cc1OC
Show InChI InChI=1S/C16H15ClN4O3S/c1-23-12-4-3-10(6-13(12)24-2)19-14(22)8-25-16-20-11-5-9(17)7-18-15(11)21-16/h3-7H,8H2,1-2H3,(H,19,22)(H,18,20,21)
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137n/an/an/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Competitive inhibition of human NPP1 using p-Nph-5'-TMP as substrate by Lineweaver-Burk plot analysis


Citation and Details
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens)
BDBM50031818
PNG
(CHEMBL3360899)
Show SMILES COc1ccc(NC(=O)CSc2nc3c(N)nc(SC)nc3[nH]2)cc1OC
Show InChI InChI=1S/C16H18N6O3S2/c1-24-9-5-4-8(6-10(9)25-2)18-11(23)7-27-16-19-12-13(17)20-15(26-3)21-14(12)22-16/h4-6H,7H2,1-3H3,(H,18,23)(H3,17,19,20,21,22)
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152n/an/an/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Inhibition of human NPP1 using p-Nph-5'-TMP as substrate


Citation and Details
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens)
BDBM50031818
PNG
(CHEMBL3360899)
Show SMILES COc1ccc(NC(=O)CSc2nc3c(N)nc(SC)nc3[nH]2)cc1OC
Show InChI InChI=1S/C16H18N6O3S2/c1-24-9-5-4-8(6-10(9)25-2)18-11(23)7-27-16-19-12-13(17)20-15(26-3)21-14(12)22-16/h4-6H,7H2,1-3H3,(H,18,23)(H3,17,19,20,21,22)
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152n/an/an/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Competitive inhibition of human NPP1 using p-Nph-5'-TMP as substrate by Lineweaver-Burk plot analysis


Citation and Details
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens)
BDBM50031828
PNG
(CHEMBL3360883)
Show SMILES COc1ccc(NC(=O)CSc2nc3cc(Br)cnc3[nH]2)cc1OC
Show InChI InChI=1S/C16H15BrN4O3S/c1-23-12-4-3-10(6-13(12)24-2)19-14(22)8-25-16-20-11-5-9(17)7-18-15(11)21-16/h3-7H,8H2,1-2H3,(H,19,22)(H,18,20,21)
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192n/an/an/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Competitive inhibition of human NPP1 using p-Nph-5'-TMP as substrate by Lineweaver-Burk plot analysis


Citation and Details
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens)
BDBM50031828
PNG
(CHEMBL3360883)
Show SMILES COc1ccc(NC(=O)CSc2nc3cc(Br)cnc3[nH]2)cc1OC
Show InChI InChI=1S/C16H15BrN4O3S/c1-23-12-4-3-10(6-13(12)24-2)19-14(22)8-25-16-20-11-5-9(17)7-18-15(11)21-16/h3-7H,8H2,1-2H3,(H,19,22)(H,18,20,21)
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192n/an/an/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Inhibition of human NPP1 using p-Nph-5'-TMP as substrate


Citation and Details
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens)
BDBM50031882
PNG
(CHEMBL1433061)
Show SMILES COc1ccc(NC(=O)CSc2nc3ccc[nH]c3n2)cc1OC
Show InChI InChI=1S/C16H16N4O3S/c1-22-12-6-5-10(8-13(12)23-2)18-14(21)9-24-16-19-11-4-3-7-17-15(11)20-16/h3-8H,9H2,1-2H3,(H,18,21)(H,17,19,20)
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217n/an/an/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Competitive inhibition of human NPP1 using p-Nph-5'-TMP as substrate by Lineweaver-Burk plot analysis


Citation and Details
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens)
BDBM50031882
PNG
(CHEMBL1433061)
Show SMILES COc1ccc(NC(=O)CSc2nc3ccc[nH]c3n2)cc1OC
Show InChI InChI=1S/C16H16N4O3S/c1-22-12-6-5-10(8-13(12)23-2)18-14(21)9-24-16-19-11-4-3-7-17-15(11)20-16/h3-8H,9H2,1-2H3,(H,18,21)(H,17,19,20)
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217n/an/an/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Inhibition of human NPP1 using p-Nph-5'-TMP as substrate


Citation and Details
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens)
BDBM50031831
PNG
(CHEMBL3360879)
Show SMILES COc1ccc(NC(=O)CSc2nc3cncnc3[nH]2)cc1OC
Show InChI InChI=1S/C15H15N5O3S/c1-22-11-4-3-9(5-12(11)23-2)18-13(21)7-24-15-19-10-6-16-8-17-14(10)20-15/h3-6,8H,7H2,1-2H3,(H,18,21)(H,16,17,19,20)
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281n/an/an/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Inhibition of human NPP1 using p-Nph-5'-TMP as substrate


Citation and Details
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens)
BDBM50031831
PNG
(CHEMBL3360879)
Show SMILES COc1ccc(NC(=O)CSc2nc3cncnc3[nH]2)cc1OC
Show InChI InChI=1S/C15H15N5O3S/c1-22-11-4-3-9(5-12(11)23-2)18-13(21)7-24-15-19-10-6-16-8-17-14(10)20-15/h3-6,8H,7H2,1-2H3,(H,18,21)(H,16,17,19,20)
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281n/an/an/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Competitive inhibition of human NPP1 using p-Nph-5'-TMP as substrate by Lineweaver-Burk plot analysis


Citation and Details
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens)
BDBM50442939
PNG
(CHEMBL3087158)
Show SMILES B[P@@](=O)(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)OP(O)(=O)CP(O)(O)=O
Show InChI InChI=1S/C11H19BN5O11P3/c12-31(25,28-30(23,24)4-29(20,21)22)26-1-5-7(18)8(19)11(27-5)17-3-16-6-9(13)14-2-15-10(6)17/h2-3,5,7-8,11,18-19H,1,4,12H2,(H,23,24)(H2,13,14,15)(H2,20,21,22)/t5-,7-,8-,11-,31-/m1/s1
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500n/an/an/an/an/an/an/an/a



Université Laval

Curated by ChEMBL


Assay Description
Mixed type inhibition of human NPP1 expressed in COS7 cells assessed as production of p-nitrophenol using pnp-TMP as the substrate preincubated for 3...


Citation and Details
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens)
BDBM50019294
PNG
(CHEMBL3289394)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO[P@](O)(=S)OP(O)(=O)C(Cl)(Cl)P(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C11H16Cl2N5O11P3S/c12-11(13,30(21,22)23)31(24,25)29-32(26,33)27-1-4-6(19)7(20)10(28-4)18-3-17-5-8(14)15-2-16-9(5)18/h2-4,6-7,10,19-20H,1H2,(H,24,25)(H,26,33)(H2,14,15,16)(H2,21,22,23)/t4-,6-,7-,10-,32+/m1/s1
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685n/an/an/an/an/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Mixed type inhibition of human NPP1 using pNP-TMP as substrate after 20 mins by Dixon and Cornish-Bowden method


Citation and Details
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens)
BDBM50031822
PNG
(CHEMBL3360895)
Show SMILES CCOc1nc(N)nc2[nH]c(SCC(=O)Nc3ccc(OC)c(OC)c3)nc12
Show InChI InChI=1S/C17H20N6O4S/c1-4-27-15-13-14(21-16(18)23-15)22-17(20-13)28-8-12(24)19-9-5-6-10(25-2)11(7-9)26-3/h5-7H,4,8H2,1-3H3,(H,19,24)(H3,18,20,21,22,23)
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1.01E+3n/an/an/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Competitive inhibition of human NPP1 using p-Nph-5'-TMP as substrate by Lineweaver-Burk plot analysis


Citation and Details
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens)
BDBM50031822
PNG
(CHEMBL3360895)
Show SMILES CCOc1nc(N)nc2[nH]c(SCC(=O)Nc3ccc(OC)c(OC)c3)nc12
Show InChI InChI=1S/C17H20N6O4S/c1-4-27-15-13-14(21-16(18)23-15)22-17(20-13)28-8-12(24)19-9-5-6-10(25-2)11(7-9)26-3/h5-7H,4,8H2,1-3H3,(H,19,24)(H3,18,20,21,22,23)
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1.01E+3n/an/an/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Inhibition of human NPP1 using p-Nph-5'-TMP as substrate


Citation and Details
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens)
BDBM50019292
PNG
(CHEMBL3289393)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO[P@@](O)(=S)OP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C11H18N5O11P3S/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(26-11)1-25-30(24,31)27-29(22,23)4-28(19,20)21/h2-3,5,7-8,11,17-18H,1,4H2,(H,22,23)(H,24,31)(H2,12,13,14)(H2,19,20,21)/t5-,7-,8-,11-,30-/m1/s1
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1.30E+3n/an/an/an/an/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Mixed type inhibition of human NPP1 using pNP-TMP as substrate after 20 mins by Dixon and Cornish-Bowden method


Citation and Details
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens)
BDBM50031820
PNG
(CHEMBL3360897)
Show SMILES COc1ccc(NC(=O)CSc2nc3c(N)nc(N)nc3[nH]2)cc1OC
Show InChI InChI=1S/C15H17N7O3S/c1-24-8-4-3-7(5-9(8)25-2)18-10(23)6-26-15-19-11-12(16)20-14(17)21-13(11)22-15/h3-5H,6H2,1-2H3,(H,18,23)(H5,16,17,19,20,21,22)
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3.48E+3n/an/an/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Inhibition of human NPP1 using p-Nph-5'-TMP as substrate


Citation and Details
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens)
BDBM50031820
PNG
(CHEMBL3360897)
Show SMILES COc1ccc(NC(=O)CSc2nc3c(N)nc(N)nc3[nH]2)cc1OC
Show InChI InChI=1S/C15H17N7O3S/c1-24-8-4-3-7(5-9(8)25-2)18-10(23)6-26-15-19-11-12(16)20-14(17)21-13(11)22-15/h3-5H,6H2,1-2H3,(H,18,23)(H5,16,17,19,20,21,22)
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3.48E+3n/an/an/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Competitive inhibition of human NPP1 using p-Nph-5'-TMP as substrate by Lineweaver-Burk plot analysis


Citation and Details
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens)
BDBM50031819
PNG
(CHEMBL3360898)
Show SMILES COc1ccc(NC(=O)CSc2nc3c(SC)nc(N)nc3[nH]2)cc1OC
Show InChI InChI=1S/C16H18N6O3S2/c1-24-9-5-4-8(6-10(9)25-2)18-11(23)7-27-16-19-12-13(21-16)20-15(17)22-14(12)26-3/h4-6H,7H2,1-3H3,(H,18,23)(H3,17,19,20,21,22)
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3.65E+3n/an/an/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Competitive inhibition of human NPP1 using p-Nph-5'-TMP as substrate by Lineweaver-Burk plot analysis


Citation and Details
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens)
BDBM50031819
PNG
(CHEMBL3360898)
Show SMILES COc1ccc(NC(=O)CSc2nc3c(SC)nc(N)nc3[nH]2)cc1OC
Show InChI InChI=1S/C16H18N6O3S2/c1-24-9-5-4-8(6-10(9)25-2)18-11(23)7-27-16-19-12-13(21-16)20-15(17)22-14(12)26-3/h4-6H,7H2,1-3H3,(H,18,23)(H3,17,19,20,21,22)
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3.65E+3n/an/an/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Inhibition of human NPP1 using p-Nph-5'-TMP as substrate


Citation and Details
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens)
BDBM50019291
PNG
(CHEMBL3289392)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO[P@](O)(=S)OP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C11H18N5O11P3S/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(26-11)1-25-30(24,31)27-29(22,23)4-28(19,20)21/h2-3,5,7-8,11,17-18H,1,4H2,(H,22,23)(H,24,31)(H2,12,13,14)(H2,19,20,21)/t5-,7-,8-,11-,30+/m1/s1
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4.50E+3n/an/an/an/an/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Mixed type inhibition of human NPP1 using pNP-TMP as substrate after 20 mins by Dixon and Cornish-Bowden method


Citation and Details
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens)
BDBM50019291
PNG
(CHEMBL3289392)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO[P@](O)(=S)OP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C11H18N5O11P3S/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(26-11)1-25-30(24,31)27-29(22,23)4-28(19,20)21/h2-3,5,7-8,11,17-18H,1,4H2,(H,22,23)(H,24,31)(H2,12,13,14)(H2,19,20,21)/t5-,7-,8-,11-,30+/m1/s1
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4.50E+3n/an/an/an/an/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Mixed type inhibition of human NPP1 using pNP-TMP as substrate assessed as dissociation constant for enzyme-inhibitor-substrate complex after 20 mins...


Citation and Details
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens)
BDBM50031827
PNG
(CHEMBL3360884)
Show SMILES COc1ccc2nc(SCC(=O)Nc3ccc(OC)c(OC)c3)[nH]c2n1
Show InChI InChI=1S/C17H18N4O4S/c1-23-12-6-4-10(8-13(12)24-2)18-14(22)9-26-17-19-11-5-7-15(25-3)20-16(11)21-17/h4-8H,9H2,1-3H3,(H,18,22)(H,19,20,21)
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5.34E+3n/an/an/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Competitive inhibition of human NPP1 using ATP as substrate by Lineweaver-Burk plot analysis


Citation and Details
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens)
BDBM50442938
PNG
(CHEMBL3087159)
Show SMILES B[P@](=O)(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)OP(O)(=O)CP(O)(O)=O
Show InChI InChI=1S/C11H19BN5O11P3/c12-31(25,28-30(23,24)4-29(20,21)22)26-1-5-7(18)8(19)11(27-5)17-3-16-6-9(13)14-2-15-10(6)17/h2-3,5,7-8,11,18-19H,1,4,12H2,(H,23,24)(H2,13,14,15)(H2,20,21,22)/t5-,7-,8-,11-,31+/m1/s1
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7.00E+3n/an/an/an/an/an/an/an/a



Université Laval

Curated by ChEMBL


Assay Description
Mixed type inhibition of human NPP1 expressed in COS7 cells assessed as production of p-nitrophenol using pnp-TMP as the substrate preincubated for 3...


Citation and Details
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens)
BDBM50031826
PNG
(CHEMBL3360885)
Show SMILES COc1ccc(NC(=O)CSc2nc3c(C)ccnc3[nH]2)cc1OC
Show InChI InChI=1S/C17H18N4O3S/c1-10-6-7-18-16-15(10)20-17(21-16)25-9-14(22)19-11-4-5-12(23-2)13(8-11)24-3/h4-8H,9H2,1-3H3,(H,19,22)(H,18,20,21)
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7.59E+3n/an/an/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Competitive inhibition of human NPP1 using ATP as substrate by Lineweaver-Burk plot analysis


Citation and Details
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens)
BDBM50031823
PNG
(CHEMBL3360894)
Show SMILES COc1ccc(NC(=O)CSc2nc3c(OC)nc(N)nc3[nH]2)cc1OC
Show InChI InChI=1S/C16H18N6O4S/c1-24-9-5-4-8(6-10(9)25-2)18-11(23)7-27-16-19-12-13(21-16)20-15(17)22-14(12)26-3/h4-6H,7H2,1-3H3,(H,18,23)(H3,17,19,20,21,22)
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8.04E+3n/an/an/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Competitive inhibition of human NPP1 using p-Nph-5'-TMP as substrate by Lineweaver-Burk plot analysis


Citation and Details
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens)
BDBM50031823
PNG
(CHEMBL3360894)
Show SMILES COc1ccc(NC(=O)CSc2nc3c(OC)nc(N)nc3[nH]2)cc1OC
Show InChI InChI=1S/C16H18N6O4S/c1-24-9-5-4-8(6-10(9)25-2)18-11(23)7-27-16-19-12-13(21-16)20-15(17)22-14(12)26-3/h4-6H,7H2,1-3H3,(H,18,23)(H3,17,19,20,21,22)
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8.04E+3n/an/an/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Inhibition of human NPP1 using p-Nph-5'-TMP as substrate


Citation and Details
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens)
BDBM50347446
PNG
(CHEMBL1802095)
Show SMILES [BH3-]P(=O)(OP([O-])(=O)CP([O-])(=O)OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c(N)ncnc12)OP([O-])(=O)CP([O-])(=O)OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C22H35BN10O17P5/c23-55(44,49-53(40,41)9-51(36,37)45-3-13-11(34)1-15(47-13)32-7-30-17-19(24)26-5-28-21(17)32)50-54(42,43)10-52(38,39)46-4-14-12(35)2-16(48-14)33-8-31-18-20(25)27-6-29-22(18)33/h5-8,11-16,34-35H,1-4,9-10H2,23H3,(H,36,37)(H,38,39)(H,40,41)(H,42,43)(H2,24,26,28)(H2,25,27,29)/q-1/p-4/t11-,12-,13+,14+,15+,16+/m0/s1
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9.00E+3n/an/an/an/an/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Inhibition of human NPP1 expressed in COS7 cells assessed as production of p-nitrophenol using pnp-TMP as the substrate after 15 mins by malachite gr...


Citation and Details
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens)
BDBM50031829
PNG
(CHEMBL3360882)
Show SMILES COc1ccc(NC(=O)CSc2nc3cc(Cl)cnc3[nH]2)cc1OC
Show InChI InChI=1S/C16H15ClN4O3S/c1-23-12-4-3-10(6-13(12)24-2)19-14(22)8-25-16-20-11-5-9(17)7-18-15(11)21-16/h3-7H,8H2,1-2H3,(H,19,22)(H,18,20,21)
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PubMed
9.78E+3n/an/an/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Competitive inhibition of human NPP1 using ATP as substrate by Lineweaver-Burk plot analysis


Citation and Details
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens)
BDBM50031828
PNG
(CHEMBL3360883)
Show SMILES COc1ccc(NC(=O)CSc2nc3cc(Br)cnc3[nH]2)cc1OC
Show InChI InChI=1S/C16H15BrN4O3S/c1-23-12-4-3-10(6-13(12)24-2)19-14(22)8-25-16-20-11-5-9(17)7-18-15(11)21-16/h3-7H,8H2,1-2H3,(H,19,22)(H,18,20,21)
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PubMed
1.08E+4n/an/an/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Competitive inhibition of human NPP1 using ATP as substrate by Lineweaver-Burk plot analysis


Citation and Details
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens)
BDBM50031821
PNG
(CHEMBL3360896)
Show SMILES COc1ccc(NC(=O)CSc2nc3c(OC(C)C)nc(N)nc3[nH]2)cc1OC
Show InChI InChI=1S/C18H22N6O4S/c1-9(2)28-16-14-15(22-17(19)24-16)23-18(21-14)29-8-13(25)20-10-5-6-11(26-3)12(7-10)27-4/h5-7,9H,8H2,1-4H3,(H,20,25)(H3,19,21,22,23,24)
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PubMed
1.10E+4n/an/an/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Competitive inhibition of human NPP1 using p-Nph-5'-TMP as substrate by Lineweaver-Burk plot analysis


Citation and Details
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens)
BDBM50031821
PNG
(CHEMBL3360896)
Show SMILES COc1ccc(NC(=O)CSc2nc3c(OC(C)C)nc(N)nc3[nH]2)cc1OC
Show InChI InChI=1S/C18H22N6O4S/c1-9(2)28-16-14-15(22-17(19)24-16)23-18(21-14)29-8-13(25)20-10-5-6-11(26-3)12(7-10)27-4/h5-7,9H,8H2,1-4H3,(H,20,25)(H3,19,21,22,23,24)
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1.10E+4n/an/an/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Inhibition of human NPP1 using p-Nph-5'-TMP as substrate


Citation and Details
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens)
BDBM50347447
PNG
(CHEMBL1802096)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])(=O)CP([O-])(=O)OP([O-])(=O)CP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C22H32N10O17P4/c23-17-11-19(27-3-25-17)31(5-29-11)21-15(35)13(33)9(47-21)1-45-50(37,38)7-52(41,42)49-53(43,44)8-51(39,40)46-2-10-14(34)16(36)22(48-10)32-6-30-12-18(24)26-4-28-20(12)32/h3-6,9-10,13-16,21-22,33-36H,1-2,7-8H2,(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H2,23,25,27)(H2,24,26,28)/p-4/t9-,10-,13-,14-,15-,16-,21-,22-/m1/s1
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PubMed
1.30E+4n/an/an/an/an/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Inhibition of human NPP1 expressed in COS7 cells assessed as production of p-nitrophenol using pnp-TMP as the substrate after 15 mins by malachite gr...


Citation and Details
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens)
BDBM50031824
PNG
(CHEMBL3360893)
Show SMILES COc1ccc(NC(=O)CSc2nc3c(nc[nH]c3=O)[nH]2)cc1OC
Show InChI InChI=1S/C15H15N5O4S/c1-23-9-4-3-8(5-10(9)24-2)18-11(21)6-25-15-19-12-13(20-15)16-7-17-14(12)22/h3-5,7H,6H2,1-2H3,(H,18,21)(H2,16,17,19,20,22)
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PubMed
1.43E+4n/an/an/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Competitive inhibition of human NPP1 using ATP as substrate by Lineweaver-Burk plot analysis


Citation and Details
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens)
BDBM50019295
PNG
(CHEMBL3289395)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO[P@@](O)(=S)OP(O)(=O)C(Cl)(Cl)P(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C11H16Cl2N5O11P3S/c12-11(13,30(21,22)23)31(24,25)29-32(26,33)27-1-4-6(19)7(20)10(28-4)18-3-17-5-8(14)15-2-16-9(5)18/h2-4,6-7,10,19-20H,1H2,(H,24,25)(H,26,33)(H2,14,15,16)(H2,21,22,23)/t4-,6-,7-,10-,32-/m1/s1
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Article
PubMed
1.52E+4n/an/an/an/an/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Mixed type inhibition of human NPP1 using pNP-TMP as substrate after 20 mins by Dixon and Cornish-Bowden method


Citation and Details
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens)
BDBM50031831
PNG
(CHEMBL3360879)
Show SMILES COc1ccc(NC(=O)CSc2nc3cncnc3[nH]2)cc1OC
Show InChI InChI=1S/C15H15N5O3S/c1-22-11-4-3-9(5-12(11)23-2)18-13(21)7-24-15-19-10-6-16-8-17-14(10)20-15/h3-6,8H,7H2,1-2H3,(H,18,21)(H,16,17,19,20)
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Article
PubMed
1.57E+4n/an/an/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Competitive inhibition of human NPP1 using ATP as substrate by Lineweaver-Burk plot analysis


Citation and Details
More data for this
Ligand-Target Pair
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