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Compile Data Set for Download or QSAR

Found 26 hits Enz. Inhib. hit(s) with all data for entry = 50047618   
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))
BDBM50179357
PNG
(CHEMBL1783609)
Show SMILES COc1cc2ncnc(N3CCC(CCNS(N)(=O)=O)CC3)c2cc1OC
Show InChI InChI=1S/C17H25N5O4S/c1-25-15-9-13-14(10-16(15)26-2)19-11-20-17(13)22-7-4-12(5-8-22)3-6-21-27(18,23)24/h9-12,21H,3-8H2,1-2H3,(H2,18,23,24)
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59n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Non-competitive inhibition of human NPP1 expressed in African green monkey COS7 cells using p-Nph-5'-TMP as substrate after 60 mins by Dixon plot ana...


Bioorg Med Chem 24: 3157-65 (2016)


Article DOI: 10.1016/j.bmc.2016.05.046
BindingDB Entry DOI: 10.7270/Q2SQ928T
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens (Human))
BDBM50179360
PNG
(CHEMBL3040216)
Show SMILES CC1=CCC(=C\C1=N\C(=O)C1=CC=C\C(C1)=N/C(=O)/N=C1/CC(=CC=C1)C(=O)\N=C1\CC(=CC=C1C)C(=O)\N=C1/CC=C(c2cc(cc(c12)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O)C(=O)\N=C1/CC=C(c2cc(cc(c12)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O |c:4,13,24,26,34,36,45,72,t:1,11|
Show InChI InChI=1S/C51H40N6O23S6/c1-25-9-11-29(49(60)54-37-13-15-41(83(69,70)71)35-21-33(81(63,64)65)23-43(45(35)37)85(75,76)77)19-39(25)56-47(58)27-5-3-7-31(17-27)52-51(62)53-32-8-4-6-28(18-32)48(59)57-40-20-30(12-10-26(40)2)50(61)55-38-14-16-42(84(72,73)74)36-22-34(82(66,67)68)24-44(46(36)38)86(78,79)80/h3-11,15-16,20-24H,12-14,17-19H2,1-2H3,(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)/b52-31+,53-32+,54-37+,55-38+,56-39-,57-40-
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260n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Competitive inhibition of human NPP1 expressed in African green monkey COS7 cells using ATP as substrate after 20 mins by Michaelis-Menten plot analy...


Bioorg Med Chem 24: 3157-65 (2016)


Article DOI: 10.1016/j.bmc.2016.05.046
BindingDB Entry DOI: 10.7270/Q2SQ928T
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens (Human))
BDBM50179375
PNG
(CHEMBL3813806)
Show SMILES Ic1ccc(\C=c2/sc3nc4ccccc4n3c2=O)o1
Show InChI InChI=1S/C14H7IN2O2S/c15-12-6-5-8(19-12)7-11-13(18)17-10-4-2-1-3-9(10)16-14(17)20-11/h1-7H/b11-7-
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467n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NPP1 expressed in insect SF9 cells using ATP as substrate preincubated with substrate followed by protein addition an...


Bioorg Med Chem 24: 3157-65 (2016)


Article DOI: 10.1016/j.bmc.2016.05.046
BindingDB Entry DOI: 10.7270/Q2SQ928T
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens (Human))
BDBM50179359
PNG
(CHEBI:34946 | Reactive Blue 2)
Show SMILES Nc1c(cc(Nc2ccc(Nc3nc(Cl)nc(Nc4cccc(c4)S(O)(=O)=O)n3)c(c2)S(O)(=O)=O)c2C(=O)c3ccccc3C(=O)c12)S(O)(=O)=O
Show InChI InChI=1S/C29H20ClN7O11S3/c30-27-35-28(33-13-4-3-5-15(10-13)49(40,41)42)37-29(36-27)34-18-9-8-14(11-20(18)50(43,44)45)32-19-12-21(51(46,47)48)24(31)23-22(19)25(38)16-6-1-2-7-17(16)26(23)39/h1-12,32H,31H2,(H,40,41,42)(H,43,44,45)(H,46,47,48)(H2,33,34,35,36,37)
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520n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Competitive inhibition of human NPP1 expressed in African green monkey COS7 cells using ATP as substrate after 20 mins by Michaelis-Menten plot analy...


Bioorg Med Chem 24: 3157-65 (2016)


Article DOI: 10.1016/j.bmc.2016.05.046
BindingDB Entry DOI: 10.7270/Q2SQ928T
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens (Human))
BDBM50179374
PNG
(CHEMBL3814399)
Show SMILES Brc1ccc(\C=c2/sc3nc4ccccc4n3c2=O)o1
Show InChI InChI=1S/C14H7BrN2O2S/c15-12-6-5-8(19-12)7-11-13(18)17-10-4-2-1-3-9(10)16-14(17)20-11/h1-7H/b11-7-
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610n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NPP1 expressed in insect SF9 cells using ATP as substrate preincubated with substrate followed by protein addition an...


Bioorg Med Chem 24: 3157-65 (2016)


Article DOI: 10.1016/j.bmc.2016.05.046
BindingDB Entry DOI: 10.7270/Q2SQ928T
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens (Human))
BDBM50179371
PNG
(CHEMBL2006050)
Show SMILES O=c1n2c(nc3ccccc23)s\c1=C/c1ccco1
Show InChI InChI=1S/C14H8N2O2S/c17-13-12(8-9-4-3-7-18-9)19-14-15-10-5-1-2-6-11(10)16(13)14/h1-8H/b12-8-
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981n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NPP1 expressed in insect SF9 cells using ATP as substrate preincubated with substrate followed by protein addition an...


Bioorg Med Chem 24: 3157-65 (2016)


Article DOI: 10.1016/j.bmc.2016.05.046
BindingDB Entry DOI: 10.7270/Q2SQ928T
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens (Human))
BDBM50179376
PNG
(CHEMBL3814245)
Show SMILES [O-][N+](=O)c1ccc(\C=c2/sc3nc4ccccc4n3c2=O)o1
Show InChI InChI=1S/C14H7N3O4S/c18-13-11(7-8-5-6-12(21-8)17(19)20)22-14-15-9-3-1-2-4-10(9)16(13)14/h1-7H/b11-7-
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PubMed
1.07E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NPP1 expressed in insect SF9 cells using ATP as substrate preincubated with substrate followed by protein addition an...


Bioorg Med Chem 24: 3157-65 (2016)


Article DOI: 10.1016/j.bmc.2016.05.046
BindingDB Entry DOI: 10.7270/Q2SQ928T
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens (Human))
BDBM50179372
PNG
(CHEMBL3814889)
Show SMILES Cc1ccc(\C=c2/sc3nc4ccccc4n3c2=O)o1
Show InChI InChI=1S/C15H10N2O2S/c1-9-6-7-10(19-9)8-13-14(18)17-12-5-3-2-4-11(12)16-15(17)20-13/h2-8H,1H3/b13-8-
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2.11E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NPP1 expressed in insect SF9 cells using ATP as substrate preincubated with substrate followed by protein addition an...


Bioorg Med Chem 24: 3157-65 (2016)


Article DOI: 10.1016/j.bmc.2016.05.046
BindingDB Entry DOI: 10.7270/Q2SQ928T
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens (Human))
BDBM50179373
PNG
(CHEMBL3814370)
Show SMILES CN(C)c1ccc(\C=c2/sc3nc4ccccc4n3c2=O)o1
Show InChI InChI=1S/C16H13N3O2S/c1-18(2)14-8-7-10(21-14)9-13-15(20)19-12-6-4-3-5-11(12)17-16(19)22-13/h3-9H,1-2H3/b13-9-
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PubMed
4.21E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NPP1 expressed in insect SF9 cells using ATP as substrate preincubated with substrate followed by protein addition an...


Bioorg Med Chem 24: 3157-65 (2016)


Article DOI: 10.1016/j.bmc.2016.05.046
BindingDB Entry DOI: 10.7270/Q2SQ928T
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens (Human))
BDBM50179379
PNG
(CHEMBL3814894)
Show SMILES CC1CCN(CC1)c1cc(N2CCC(C)CC2)c(cc1\C=c1\sc2nc3ccccc3n2c1=O)[N+]([O-])=O
Show InChI InChI=1S/C28H31N5O3S/c1-18-7-11-30(12-8-18)23-17-24(31-13-9-19(2)10-14-31)25(33(35)36)15-20(23)16-26-27(34)32-22-6-4-3-5-21(22)29-28(32)37-26/h3-6,15-19H,7-14H2,1-2H3/b26-16+
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8.56E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NPP1 expressed in insect SF9 cells using ATP as substrate preincubated with substrate followed by protein addition an...


Bioorg Med Chem 24: 3157-65 (2016)


Article DOI: 10.1016/j.bmc.2016.05.046
BindingDB Entry DOI: 10.7270/Q2SQ928T
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens (Human))
BDBM50179366
PNG
(CHEMBL2391014)
Show SMILES O=c1n2c(nc3ccccc23)s\c1=C/c1ccc(cc1)N1CCOCC1
Show InChI InChI=1S/C20H17N3O2S/c24-19-18(26-20-21-16-3-1-2-4-17(16)23(19)20)13-14-5-7-15(8-6-14)22-9-11-25-12-10-22/h1-8,13H,9-12H2/b18-13-
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PubMed
8.91E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NPP1 expressed in insect SF9 cells using ATP as substrate preincubated with substrate followed by protein addition an...


Bioorg Med Chem 24: 3157-65 (2016)


Article DOI: 10.1016/j.bmc.2016.05.046
BindingDB Entry DOI: 10.7270/Q2SQ928T
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens (Human))
BDBM50179378
PNG
(CHEMBL3814040)
Show SMILES COc1cc(\C=c2\sc3nc4ccccc4n3c2=O)ccc1OCc1nnn[nH]1
Show InChI InChI=1S/C19H14N6O3S/c1-27-15-8-11(6-7-14(15)28-10-17-21-23-24-22-17)9-16-18(26)25-13-5-3-2-4-12(13)20-19(25)29-16/h2-9H,10H2,1H3,(H,21,22,23,24)/b16-9+
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NPP1 expressed in insect SF9 cells using ATP as substrate preincubated with substrate followed by protein addition an...


Bioorg Med Chem 24: 3157-65 (2016)


Article DOI: 10.1016/j.bmc.2016.05.046
BindingDB Entry DOI: 10.7270/Q2SQ928T
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens (Human))
BDBM50179377
PNG
(CHEMBL3815104)
Show SMILES O=c1n2c(nc3ccccc23)s\c1=C\c1ccccc1
Show InChI InChI=1S/C16H10N2OS/c19-15-14(10-11-6-2-1-3-7-11)20-16-17-12-8-4-5-9-13(12)18(15)16/h1-10H/b14-10+
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NPP1 expressed in insect SF9 cells using ATP as substrate preincubated with substrate followed by protein addition an...


Bioorg Med Chem 24: 3157-65 (2016)


Article DOI: 10.1016/j.bmc.2016.05.046
BindingDB Entry DOI: 10.7270/Q2SQ928T
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens (Human))
BDBM95915
PNG
((2Z)-2-(2-pyridinylmethylidene)-1-thiazolo[3,2-a]b...)
Show SMILES O=c1n2c(nc3ccccc23)s\c1=C/c1ccccn1
Show InChI InChI=1S/C15H9N3OS/c19-14-13(9-10-5-3-4-8-16-10)20-15-17-11-6-1-2-7-12(11)18(14)15/h1-9H/b13-9-
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NPP1 expressed in insect SF9 cells using ATP as substrate preincubated with substrate followed by protein addition an...


Bioorg Med Chem 24: 3157-65 (2016)


Article DOI: 10.1016/j.bmc.2016.05.046
BindingDB Entry DOI: 10.7270/Q2SQ928T
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens (Human))
BDBM50179370
PNG
(CHEMBL3813762)
Show SMILES O=c1n2c(nc3ccccc23)s\c1=C/C=C/c1ccccc1
Show InChI InChI=1S/C18H12N2OS/c21-17-16(12-6-9-13-7-2-1-3-8-13)22-18-19-14-10-4-5-11-15(14)20(17)18/h1-12H/b9-6+,16-12-
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NPP1 expressed in insect SF9 cells using ATP as substrate preincubated with substrate followed by protein addition an...


Bioorg Med Chem 24: 3157-65 (2016)


Article DOI: 10.1016/j.bmc.2016.05.046
BindingDB Entry DOI: 10.7270/Q2SQ928T
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens (Human))
BDBM50179381
PNG
(CHEMBL3814670)
Show SMILES O=c1n2c(nc3ccccc23)s\c1=C\c1cc2ccccc2[nH]c1=O
Show InChI InChI=1S/C19H11N3O2S/c23-17-12(9-11-5-1-2-6-13(11)20-17)10-16-18(24)22-15-8-4-3-7-14(15)21-19(22)25-16/h1-10H,(H,20,23)/b16-10+
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NPP1 expressed in insect SF9 cells using ATP as substrate preincubated with substrate followed by protein addition an...


Bioorg Med Chem 24: 3157-65 (2016)


Article DOI: 10.1016/j.bmc.2016.05.046
BindingDB Entry DOI: 10.7270/Q2SQ928T
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens (Human))
BDBM50179368
PNG
(CHEMBL3815041)
Show SMILES O=c1n2c(nc3ccccc23)s\c1=C/c1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C22H14N2O2S/c25-21-20(27-22-23-18-11-4-5-12-19(18)24(21)22)14-15-7-6-10-17(13-15)26-16-8-2-1-3-9-16/h1-14H/b20-14-
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NPP1 expressed in insect SF9 cells using ATP as substrate preincubated with substrate followed by protein addition an...


Bioorg Med Chem 24: 3157-65 (2016)


Article DOI: 10.1016/j.bmc.2016.05.046
BindingDB Entry DOI: 10.7270/Q2SQ928T
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens (Human))
BDBM50179367
PNG
(CHEMBL3814938)
Show SMILES O=c1n2c(nc3ccccc23)s\c1=C/c1cccc(Cc2ccccc2)c1
Show InChI InChI=1S/C23H16N2OS/c26-22-21(27-23-24-19-11-4-5-12-20(19)25(22)23)15-18-10-6-9-17(14-18)13-16-7-2-1-3-8-16/h1-12,14-15H,13H2/b21-15-
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NPP1 expressed in insect SF9 cells using ATP as substrate preincubated with substrate followed by protein addition an...


Bioorg Med Chem 24: 3157-65 (2016)


Article DOI: 10.1016/j.bmc.2016.05.046
BindingDB Entry DOI: 10.7270/Q2SQ928T
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens (Human))
BDBM50179365
PNG
(CHEMBL3814474)
Show SMILES Ic1ccc(\C=c2/sc3nc4ccccc4n3c2=O)cc1
Show InChI InChI=1S/C16H9IN2OS/c17-11-7-5-10(6-8-11)9-14-15(20)19-13-4-2-1-3-12(13)18-16(19)21-14/h1-9H/b14-9-
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NPP1 expressed in insect SF9 cells using ATP as substrate preincubated with substrate followed by protein addition an...


Bioorg Med Chem 24: 3157-65 (2016)


Article DOI: 10.1016/j.bmc.2016.05.046
BindingDB Entry DOI: 10.7270/Q2SQ928T
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens (Human))
BDBM50179364
PNG
(CHEMBL579992)
Show SMILES Clc1ccc(\C=c2/sc3nc4ccccc4n3c2=O)cc1
Show InChI InChI=1S/C16H9ClN2OS/c17-11-7-5-10(6-8-11)9-14-15(20)19-13-4-2-1-3-12(13)18-16(19)21-14/h1-9H/b14-9-
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NPP1 expressed in insect SF9 cells using ATP as substrate preincubated with substrate followed by protein addition an...


Bioorg Med Chem 24: 3157-65 (2016)


Article DOI: 10.1016/j.bmc.2016.05.046
BindingDB Entry DOI: 10.7270/Q2SQ928T
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens (Human))
BDBM50179363
PNG
(CHEMBL3814065)
Show SMILES Cc1ccc(\C=c2/sc3nc4ccccc4n3c2=O)cc1
Show InChI InChI=1S/C17H12N2OS/c1-11-6-8-12(9-7-11)10-15-16(20)19-14-5-3-2-4-13(14)18-17(19)21-15/h2-10H,1H3/b15-10-
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NPP1 expressed in insect SF9 cells using ATP as substrate preincubated with substrate followed by protein addition an...


Bioorg Med Chem 24: 3157-65 (2016)


Article DOI: 10.1016/j.bmc.2016.05.046
BindingDB Entry DOI: 10.7270/Q2SQ928T
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens (Human))
BDBM50179362
PNG
(CHEMBL3813738)
Show SMILES O=c1n2c(nc3ccccc23)s\c1=C/c1ccccc1
Show InChI InChI=1S/C16H10N2OS/c19-15-14(10-11-6-2-1-3-7-11)20-16-17-12-8-4-5-9-13(12)18(15)16/h1-10H/b14-10-
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NPP1 expressed in insect SF9 cells using ATP as substrate preincubated with substrate followed by protein addition an...


Bioorg Med Chem 24: 3157-65 (2016)


Article DOI: 10.1016/j.bmc.2016.05.046
BindingDB Entry DOI: 10.7270/Q2SQ928T
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens (Human))
BDBM50179361
PNG
(CHEMBL3814425)
Show SMILES C\C=c1/sc2nc3ccccc3n2c1=O
Show InChI InChI=1S/C11H8N2OS/c1-2-9-10(14)13-8-6-4-3-5-7(8)12-11(13)15-9/h2-6H,1H3/b9-2-
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NPP1 expressed in insect SF9 cells using ATP as substrate preincubated with substrate followed by protein addition an...


Bioorg Med Chem 24: 3157-65 (2016)


Article DOI: 10.1016/j.bmc.2016.05.046
BindingDB Entry DOI: 10.7270/Q2SQ928T
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens (Human))
BDBM50179369
PNG
(CHEMBL3814389)
Show SMILES O=c1n2c(nc3ccccc23)s\c1=C/c1cccc(OCc2ccccc2)c1
Show InChI InChI=1S/C23H16N2O2S/c26-22-21(28-23-24-19-11-4-5-12-20(19)25(22)23)14-17-9-6-10-18(13-17)27-15-16-7-2-1-3-8-16/h1-14H,15H2/b21-14-
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NPP1 expressed in insect SF9 cells using ATP as substrate preincubated with substrate followed by protein addition an...


Bioorg Med Chem 24: 3157-65 (2016)


Article DOI: 10.1016/j.bmc.2016.05.046
BindingDB Entry DOI: 10.7270/Q2SQ928T
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens (Human))
BDBM50179380
PNG
(CHEMBL3813946)
Show SMILES O=c1n2c(nc3ccccc23)s\c1=C\c1ccc2ccccc2c1
Show InChI InChI=1S/C20H12N2OS/c23-19-18(12-13-9-10-14-5-1-2-6-15(14)11-13)24-20-21-16-7-3-4-8-17(16)22(19)20/h1-12H/b18-12+
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NPP1 expressed in insect SF9 cells using ATP as substrate preincubated with substrate followed by protein addition an...


Bioorg Med Chem 24: 3157-65 (2016)


Article DOI: 10.1016/j.bmc.2016.05.046
BindingDB Entry DOI: 10.7270/Q2SQ928T
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens (Human))
BDBM50179358
PNG
(CHEMBL1206141)
Show SMILES CCN(CC)c1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)C(Br)(Br)P(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C15H24Br2N5O12P3/c1-3-21(4-2)12-9-13(19-6-18-12)22(7-20-9)14-11(24)10(23)8(33-14)5-32-37(30,31)34-36(28,29)15(16,17)35(25,26)27/h6-8,10-11,14,23-24H,3-5H2,1-2H3,(H,28,29)(H,30,31)(H2,25,26,27)/t8-,10-,11-,14-/m1/s1
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PubMed
1.20E+4n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Competitive inhibition of human NPP1 transfected in HEK293 cells using p-Nph-5'-TMP as substrate preincubated for 3 mins followed by substrate additi...


Bioorg Med Chem 24: 3157-65 (2016)


Article DOI: 10.1016/j.bmc.2016.05.046
BindingDB Entry DOI: 10.7270/Q2SQ928T
More data for this
Ligand-Target Pair