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Found 24 hits Enz. Inhib. hit(s) with Target = 'Ectonucleoside triphosphate diphosphohydrolase 1'   
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
Ectonucleoside triphosphate diphosphohydrolase 1


(Homo sapiens)
BDBM50307836
PNG
(CHEMBL608559 | Sodium 1-Amino-4-(2-anthracenylamin...)
Show SMILES Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc2ccc3cc4ccccc4cc3c2)cc1S([O-])(=O)=O
Show InChI InChI=1S/C28H18N2O5S/c29-26-23(36(33,34)35)14-22(24-25(26)28(32)21-8-4-3-7-20(21)27(24)31)30-19-10-9-17-11-15-5-1-2-6-16(15)12-18(17)13-19/h1-14,30H,29H2,(H,33,34,35)/p-1
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PubMed
2.59E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human NTPdase1 by capillary electrophoresis method


J Med Chem 53: 2076-86 (2010)

More data for this
Ligand-Target Pair
Ectonucleoside triphosphate diphosphohydrolase 1


(Bos taurus)
BDBM50369522
PNG
(CHEMBL610358)
Show SMILES CCCCSc1nc2c(N)ncnc2n1C1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C14H24N5O13P3S/c1-2-3-4-36-14-18-8-11(15)16-6-17-12(8)19(14)13-10(21)9(20)7(30-13)5-29-34(25,26)32-35(27,28)31-33(22,23)24/h6-7,9-10,13,20-21H,2-5H2,1H3,(H,25,26)(H,27,28)(H2,15,16,17)(H2,22,23,24)/t7-,9-,10-,13?/m1/s1
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1.00E+4n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Tested for inhibition of Nucleoside Triphosphate Diphosphohydrolase (NTPDase) from bovine spleen.


Citation and Details
More data for this
Ligand-Target Pair
Ectonucleoside triphosphate diphosphohydrolase 1


(Homo sapiens)
BDBM50268725
PNG
(CHEMBL496030 | sodium 1-amino-4-(4-hydroxyphenylam...)
Show SMILES Nc1c(cc(Nc2ccc(O)cc2)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
Show InChI InChI=1S/C20H14N2O6S/c21-18-15(29(26,27)28)9-14(22-10-5-7-11(23)8-6-10)16-17(18)20(25)13-4-2-1-3-12(13)19(16)24/h1-9,22-23H,21H2,(H,26,27,28)/p-1
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PubMed
1.07E+4n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human NTPdase1 by capillary electrophoresis method


J Med Chem 53: 2076-86 (2010)

More data for this
Ligand-Target Pair
Ectonucleoside triphosphate diphosphohydrolase 1


(Bos taurus)
BDBM50369524
PNG
(CHEMBL607720)
Show SMILES CCCCCCSc1nc2c(N)ncnc2n1C1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C16H28N5O13P3S/c1-2-3-4-5-6-38-16-20-10-13(17)18-8-19-14(10)21(16)15-12(23)11(22)9(32-15)7-31-36(27,28)34-37(29,30)33-35(24,25)26/h8-9,11-12,15,22-23H,2-7H2,1H3,(H,27,28)(H,29,30)(H2,17,18,19)(H2,24,25,26)/t9-,11-,12-,15?/m1/s1
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1.60E+4n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Tested for inhibition of Nucleoside Triphosphate Diphosphohydrolase (NTPDase) from bovine spleen.


Citation and Details
More data for this
Ligand-Target Pair
Ectonucleoside triphosphate diphosphohydrolase 1


(Rattus norvegicus)
BDBM50029031
PNG
(1-Amino-4-{4-[4-chloro-6-(3-sulfo-phenylamino)-[1,...)
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)/p-3
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2.00E+4n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant NTPDase1 expressed in CHO cells


Bioorg Med Chem Lett 16: 5943-7 (2006)

More data for this
Ligand-Target Pair
Ectonucleoside triphosphate diphosphohydrolase 1


(Rattus norvegicus)
BDBM50029031
PNG
(1-Amino-4-{4-[4-chloro-6-(3-sulfo-phenylamino)-[1,...)
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)/p-3
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2.00E+4n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of rat NTPDase 1


J Med Chem 51: 4518-28 (2008)

More data for this
Ligand-Target Pair
Ectonucleoside triphosphate diphosphohydrolase 1


(Rattus norvegicus)
BDBM50029031
PNG
(1-Amino-4-{4-[4-chloro-6-(3-sulfo-phenylamino)-[1,...)
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)/p-3
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2.00E+4n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of rat NTPdase1 by capillary electrophoresis method


J Med Chem 53: 2076-86 (2010)

More data for this
Ligand-Target Pair
Ectonucleoside triphosphate diphosphohydrolase 1


(Rattus norvegicus)
BDBM50195359
PNG
(ARL-67156 | CHEMBL223145)
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)/p-4/t8-,10-,11-,14-/m1/s1
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2.70E+4n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant NTPDase1 expressed in CHO cells


Bioorg Med Chem Lett 16: 5943-7 (2006)

More data for this
Ligand-Target Pair
Ectonucleoside triphosphate diphosphohydrolase 1


(Rattus norvegicus)
BDBM50195359
PNG
(ARL-67156 | CHEMBL223145)
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)/p-4/t8-,10-,11-,14-/m1/s1
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2.70E+4n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of rat NTPDase 1


J Med Chem 51: 4518-28 (2008)

More data for this
Ligand-Target Pair
Ectonucleoside triphosphate diphosphohydrolase 1


(Bos taurus)
BDBM50369523
PNG
(CHEMBL612159)
Show SMILES Nc1ncnc2n(C3O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]3O)c(SC3CCCCCC3)nc12
Show InChI InChI=1S/C17H28N5O13P3S/c18-14-11-15(20-8-19-14)22(17(21-11)39-9-5-3-1-2-4-6-9)16-13(24)12(23)10(33-16)7-32-37(28,29)35-38(30,31)34-36(25,26)27/h8-10,12-13,16,23-24H,1-7H2,(H,28,29)(H,30,31)(H2,18,19,20)(H2,25,26,27)/t10-,12-,13-,16?/m1/s1
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3.10E+4n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Tested for inhibition of Nucleoside Triphosphate Diphosphohydrolase (NTPDase) from bovine spleen.


Citation and Details
More data for this
Ligand-Target Pair
Ectonucleoside triphosphate diphosphohydrolase 1


(Homo sapiens)
BDBM50307835
PNG
(CHEMBL590956 | Sodium 1-amino-4-[4-fluoro-2-carbox...)
Show SMILES Nc1c(cc(Nc2ccc(F)cc2C(O)=O)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
Show InChI InChI=1S/C21H13FN2O7S/c22-9-5-6-13(12(7-9)21(27)28)24-14-8-15(32(29,30)31)18(23)17-16(14)19(25)10-3-1-2-4-11(10)20(17)26/h1-8,24H,23H2,(H,27,28)(H,29,30,31)/p-1
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>4.00E+4n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human NTPdase1 by capillary electrophoresis method


J Med Chem 53: 2076-86 (2010)

More data for this
Ligand-Target Pair
Ectonucleoside triphosphate diphosphohydrolase 1


(Bos taurus)
BDBM50369521
PNG
(CHEMBL610939)
Show SMILES CC(C)(C)CSc1nc2c(N)ncnc2n1C1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C15H26N5O13P3S/c1-15(2,3)5-37-14-19-8-11(16)17-6-18-12(8)20(14)13-10(22)9(21)7(31-13)4-30-35(26,27)33-36(28,29)32-34(23,24)25/h6-7,9-10,13,21-22H,4-5H2,1-3H3,(H,26,27)(H,28,29)(H2,16,17,18)(H2,23,24,25)/t7-,9-,10-,13?/m1/s1
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4.50E+4n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Tested for inhibition of Nucleoside Triphosphate Diphosphohydrolase (NTPDase) from bovine spleen.


Citation and Details
More data for this
Ligand-Target Pair
Ectonucleoside triphosphate diphosphohydrolase 1


(Rattus norvegicus)
BDBM50262422
PNG
(CHEMBL477339 | sodium (E)-4-((3-formyl-4-hydroxy-5...)
Show SMILES Cc1cc(N=Nc2ccc(cc2S([O-])(=O)=O)S([O-])(=O)=O)c(COP([O-])([O-])=O)c(C=O)c1O
Show InChI InChI=1S/C15H15N2O12PS2/c1-8-4-13(11(7-29-30(20,21)22)10(6-18)15(8)19)17-16-12-3-2-9(31(23,24)25)5-14(12)32(26,27)28/h2-6,19H,7H2,1H3,(H2,20,21,22)(H,23,24,25)(H,26,27,28)/p-4
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4.60E+4n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of rat NTPDase 1


J Med Chem 51: 4518-28 (2008)

More data for this
Ligand-Target Pair
Ectonucleoside triphosphate diphosphohydrolase 1


(Rattus norvegicus)
BDBM50227032
PNG
(CHEMBL256057 | acid blue 25 | sodium 1-amino-9,10-...)
Show SMILES Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc2ccccc2)cc1S([O-])(=O)=O
Show InChI InChI=1S/C20H14N2O5S/c21-18-15(28(25,26)27)10-14(22-11-6-2-1-3-7-11)16-17(18)20(24)13-9-5-4-8-12(13)19(16)23/h1-10,22H,21H2,(H,25,26,27)/p-1
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4.91E+4n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of rat NTPdase1 by capillary electrophoresis method


J Med Chem 53: 2076-86 (2010)

More data for this
Ligand-Target Pair
Ectonucleoside triphosphate diphosphohydrolase 1


(Homo sapiens)
BDBM50262250
PNG
(4-[3-((2S,3R,4S,5R)-5-(2,4-Dioxo-3,4-dihydropyrimi...)
Show SMILES CCOP(=O)(Cc1ccc(NC(=O)CCNC(=O)[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)cc1)OCC
Show InChI InChI=1S/C23H31N4O10P/c1-3-35-38(34,36-4-2)13-14-5-7-15(8-6-14)25-16(28)9-11-24-21(32)20-18(30)19(31)22(37-20)27-12-10-17(29)26-23(27)33/h5-8,10,12,18-20,22,30-31H,3-4,9,11,13H2,1-2H3,(H,24,32)(H,25,28)(H,26,29,33)/t18-,19+,20-,22+/m0/s1
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5.52E+4n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human NTPDase 1 expressed in COS7 cells


J Med Chem 51: 4518-28 (2008)

More data for this
Ligand-Target Pair
Ectonucleoside triphosphate diphosphohydrolase 1


(Rattus norvegicus)
BDBM50336767
PNG
(CHEMBL257495 | PSB-716 | sodium 1-amino-4-(2-metho...)
Show SMILES COc1ccccc1Nc1cc(c(N)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
Show InChI InChI=1S/C21H16N2O6S/c1-29-15-9-5-4-8-13(15)23-14-10-16(30(26,27)28)19(22)18-17(14)20(24)11-6-2-3-7-12(11)21(18)25/h2-10,23H,22H2,1H3,(H,26,27,28)/p-1
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>1.00E+5n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of rat NTPDase 1


Bioorg Med Chem Lett 18: 223-7 (2008)

More data for this
Ligand-Target Pair
Ectonucleoside triphosphate diphosphohydrolase 1


(Rattus norvegicus)
BDBM50268574
PNG
(CHEMBL498423 | Sodium 1-Amino-4-(1-naphthylamino)-...)
Show SMILES Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc2cccc3ccccc23)cc1S([O-])(=O)=O
Show InChI InChI=1S/C24H16N2O5S/c25-22-19(32(29,30)31)12-18(26-17-11-5-7-13-6-1-2-8-14(13)17)20-21(22)24(28)16-10-4-3-9-15(16)23(20)27/h1-12,26H,25H2,(H,29,30,31)/p-1
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>1.50E+5n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of rat NTPdase1 by capillary electrophoresis method


J Med Chem 53: 2076-86 (2010)

More data for this
Ligand-Target Pair
Ectonucleoside triphosphate diphosphohydrolase 1


(Homo sapiens)
BDBM50262372
PNG
(4-[3-((2S,3R,4S,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-...)
Show SMILES CCOP(=O)(Cc1ccc(NC(=O)CCNC(=O)[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)cc1)OCC
Show InChI InChI=1S/C24H32N7O8P/c1-3-37-40(36,38-4-2)11-14-5-7-15(8-6-14)30-16(32)9-10-26-23(35)20-18(33)19(34)24(39-20)31-13-29-17-21(25)27-12-28-22(17)31/h5-8,12-13,18-20,24,33-34H,3-4,9-11H2,1-2H3,(H,26,35)(H,30,32)(H2,25,27,28)/t18-,19+,20-,24+/m0/s1
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1.54E+5n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human NTPDase 1 expressed in COS7 cells


J Med Chem 51: 4518-28 (2008)

More data for this
Ligand-Target Pair
Ectonucleoside triphosphate diphosphohydrolase 1


(Homo sapiens)
BDBM50262373
PNG
(4-[4-((2S,3R,4S,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-...)
Show SMILES CCOP(=O)(Cc1ccc(NC(=O)CCCNC(=O)[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)cc1)OCC
Show InChI InChI=1S/C25H34N7O8P/c1-3-38-41(37,39-4-2)12-15-7-9-16(10-8-15)31-17(33)6-5-11-27-24(36)21-19(34)20(35)25(40-21)32-14-30-18-22(26)28-13-29-23(18)32/h7-10,13-14,19-21,25,34-35H,3-6,11-12H2,1-2H3,(H,27,36)(H,31,33)(H2,26,28,29)/t19-,20+,21-,25+/m0/s1
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PubMed
1.61E+5n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human NTPDase 1 expressed in COS7 cells


J Med Chem 51: 4518-28 (2008)

More data for this
Ligand-Target Pair
Ectonucleoside triphosphate diphosphohydrolase 1


(Homo sapiens)
BDBM50262251
PNG
(4-[4-((2S,3R,4S,5R)-5-(2,4-Dioxo-3,4-dihydropyrimi...)
Show SMILES CCOP(=O)(Cc1ccc(NC(=O)CCCNC(=O)[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)cc1)OCC
Show InChI InChI=1S/C24H33N4O10P/c1-3-36-39(35,37-4-2)14-15-7-9-16(10-8-15)26-17(29)6-5-12-25-22(33)21-19(31)20(32)23(38-21)28-13-11-18(30)27-24(28)34/h7-11,13,19-21,23,31-32H,3-6,12,14H2,1-2H3,(H,25,33)(H,26,29)(H,27,30,34)/t19-,20+,21-,23+/m0/s1
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PubMed
1.82E+5n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human NTPDase 1 expressed in COS7 cells


J Med Chem 51: 4518-28 (2008)

More data for this
Ligand-Target Pair
Ectonucleoside triphosphate diphosphohydrolase 1


(Rattus norvegicus)
BDBM50336799
PNG
(5,5',5''-[1,3,6-naphthalenetriyltris(sulfonylimino...)
Show SMILES Cc1ccc(cc1NC(=O)c1cccc(NC(=O)Nc2cccc(c2)C(=O)Nc2cc(ccc2C)C(=O)Nc2ccc(c3cc(cc(c23)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O)c1)C(=O)Nc1ccc(c2cc(cc(c12)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O
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/h3-24H,1-2H3,(H,54,60)(H,55,61)(H,56,58)(H,57,59)(H2,52,53,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)
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3.00E+5n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant NTPDase1 expressed in CHO cells


Bioorg Med Chem Lett 16: 5943-7 (2006)

More data for this
Ligand-Target Pair
Ectonucleoside triphosphate diphosphohydrolase 1


(Rattus norvegicus)
BDBM50336799
PNG
(5,5',5''-[1,3,6-naphthalenetriyltris(sulfonylimino...)
Show SMILES Cc1ccc(cc1NC(=O)c1cccc(NC(=O)Nc2cccc(c2)C(=O)Nc2cc(ccc2C)C(=O)Nc2ccc(c3cc(cc(c23)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O)c1)C(=O)Nc1ccc(c2cc(cc(c12)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O
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/h3-24H,1-2H3,(H,54,60)(H,55,61)(H,56,58)(H,57,59)(H2,52,53,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)
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3.00E+5n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of rat NTPDase 1


J Med Chem 51: 4518-28 (2008)

More data for this
Ligand-Target Pair
Ectonucleoside triphosphate diphosphohydrolase 1


(Homo sapiens)
BDBM50262252
PNG
(2-[(2S,3R,4S,5R)-5-(2,4-Dioxo-3,4-dihydropyrimidin...)
Show SMILES CCOP(=O)(CNC(=O)CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O)OCC
Show InChI InChI=1S/C16H25N4O10P/c1-3-28-31(27,29-4-2)8-18-10(22)7-17-14(25)13-11(23)12(24)15(30-13)20-6-5-9(21)19-16(20)26/h5-6,11-13,15,23-24H,3-4,7-8H2,1-2H3,(H,17,25)(H,18,22)(H,19,21,26)/t11-,12+,13-,15+/m0/s1
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PubMed
7.86E+5n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human NTPDase 1 expressed in COS7 cells


J Med Chem 51: 4518-28 (2008)

More data for this
Ligand-Target Pair
Ectonucleoside triphosphate diphosphohydrolase 1


(Homo sapiens)
BDBM50187685
PNG
(CHEMBL597418)
Show SMILES [Na+].Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc2cc3ccccc3c3ccccc23)cc1S([O-])(=O)=O
Show InChI InChI=1S/C28H18N2O5S.Na/c29-26-23(36(33,34)35)14-22(24-25(26)28(32)20-12-6-5-11-19(20)27(24)31)30-21-13-15-7-1-2-8-16(15)17-9-3-4-10-18(17)21;/h1-14,30H,29H2,(H,33,34,35);/q;+1/p-1
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n/an/a 2.00E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of recombinant human NTPDase1 expressed in CHO cells using ADP as substrate incubated for 10 mins by capillary electrophoresis method


Citation and Details
More data for this
Ligand-Target Pair