Compile Data Set for Download or QSAR

Found 34 hits Enz. Inhib. hit(s) with Target = 'Ectonucleoside triphosphate diphosphohydrolase 1' AND taxid = 10116   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Ectonucleoside triphosphate diphosphohydrolase 1 (Rattus norvegicus)	BDBM50378649 (CHEMBL597197) Show SMILES Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc2ccc3ccccc3c2)cc1S([O-])(=O)=O Show InChI InChI=1S/C24H16N2O5S/c25-22-19(32(29,30)31)12-18(26-15-10-9-13-5-1-2-6-14(13)11-15)20-21(22)24(28)17-8-4-3-7-16(17)23(20)27/h1-12,26H,25H2,(H,29,30,31)/p-1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	328	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of rat CD39 expressed in CHO cells using ATP as substrate incubated for 10 mins by UV absorbance method				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01044 BindingDB Entry DOI: 10.7270/Q2B27ZZ6
					More data for this Ligand-Target Pair
Ectonucleoside triphosphate diphosphohydrolase 1 (Rattus norvegicus)	BDBM50227019 (CHEMBL271673 | sodium 1-amino-4-(4-chlorophenylami...) Show SMILES Nc1c(cc(Nc2ccc(Cl)cc2)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O Show InChI InChI=1S/C20H13ClN2O5S/c21-10-5-7-11(8-6-10)23-14-9-15(29(26,27)28)18(22)17-16(14)19(24)12-3-1-2-4-13(12)20(17)25/h1-9,23H,22H2,(H,26,27,28)/p-1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.57E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of rat CD39 expressed in CHO cells using ATP as substrate incubated for 10 mins by UV absorbance method				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01044 BindingDB Entry DOI: 10.7270/Q2B27ZZ6
					More data for this Ligand-Target Pair
Ectonucleoside triphosphate diphosphohydrolase 1 (Rattus norvegicus)	BDBM50029031 (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	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1016/j.bmcl.2006.09.003 BindingDB Entry DOI: 10.7270/Q27H1KC9
					More data for this Ligand-Target Pair
Ectonucleoside triphosphate diphosphohydrolase 1 (Rattus norvegicus)	BDBM50552129 (CHEMBL4744335) Show SMILES [Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[#7]-c1c(cc(-[#7]-c2ccc(-[#7]-c3nc(Cl)nc(-[#7]-c4ccc(c(c4)S([#8-])(=O)=O)S([#8-])(=O)=O)n3)c(c2)S([#8-])(=O)=O)c2-[#6](=O)-c3ccccc3-[#6](=O)-c12)S([#8-])(=O)=O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of rat CD39 expressed in CHO cells using ATP as substrate incubated for 10 mins by UV absorbance method				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01044 BindingDB Entry DOI: 10.7270/Q2B27ZZ6
					More data for this Ligand-Target Pair
Ectonucleoside triphosphate diphosphohydrolase 1 (Rattus norvegicus)	BDBM50029031 (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	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of rat NTPDase 1				J Med Chem 51: 4518-28 (2008) Article DOI: 10.1021/jm800175e BindingDB Entry DOI: 10.7270/Q2XW4KQX
					More data for this Ligand-Target Pair
Ectonucleoside triphosphate diphosphohydrolase 1 (Rattus norvegicus)	BDBM50029031 (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	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of rat NTPdase1 by capillary electrophoresis method				J Med Chem 53: 2076-86 (2010) Article DOI: 10.1021/jm901851t BindingDB Entry DOI: 10.7270/Q2DZ097V
					More data for this Ligand-Target Pair
Ectonucleoside triphosphate diphosphohydrolase 1 (Rattus norvegicus)	BDBM50195359 (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 |r| 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	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1016/j.bmcl.2006.09.003 BindingDB Entry DOI: 10.7270/Q27H1KC9
					More data for this Ligand-Target Pair
Ectonucleoside triphosphate diphosphohydrolase 1 (Rattus norvegicus)	BDBM50195359 (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 |r| 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	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of rat NTPDase 1				J Med Chem 51: 4518-28 (2008) Article DOI: 10.1021/jm800175e BindingDB Entry DOI: 10.7270/Q2XW4KQX
					More data for this Ligand-Target Pair
Ectonucleoside triphosphate diphosphohydrolase 1 (Rattus norvegicus)	BDBM50262422 (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 |w:4.3| 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	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	4.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of rat NTPDase 1				J Med Chem 51: 4518-28 (2008) Article DOI: 10.1021/jm800175e BindingDB Entry DOI: 10.7270/Q2XW4KQX
					More data for this Ligand-Target Pair
Ectonucleoside triphosphate diphosphohydrolase 1 (Rattus norvegicus)	BDBM50227032 (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	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.91E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of rat NTPdase1 by capillary electrophoresis method				J Med Chem 53: 2076-86 (2010) Article DOI: 10.1021/jm901851t BindingDB Entry DOI: 10.7270/Q2DZ097V
					More data for this Ligand-Target Pair
Ectonucleoside triphosphate diphosphohydrolase 1 (Rattus norvegicus)	BDBM50336767 (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	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of rat NTPDase 1				Bioorg Med Chem Lett 18: 223-7 (2008) Article DOI: 10.1016/j.bmcl.2007.10.082 BindingDB Entry DOI: 10.7270/Q2RX9CXT
					More data for this Ligand-Target Pair
Ectonucleoside triphosphate diphosphohydrolase 1 (Rattus norvegicus)	BDBM50268574 (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	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.50E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of rat NTPdase1 by capillary electrophoresis method				J Med Chem 53: 2076-86 (2010) Article DOI: 10.1021/jm901851t BindingDB Entry DOI: 10.7270/Q2DZ097V
					More data for this Ligand-Target Pair
Ectonucleoside triphosphate diphosphohydrolase 1 (Rattus norvegicus)	BDBM50336799 (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)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1016/j.bmcl.2006.09.003 BindingDB Entry DOI: 10.7270/Q27H1KC9
					More data for this Ligand-Target Pair
Ectonucleoside triphosphate diphosphohydrolase 1 (Rattus norvegicus)	BDBM50336799 (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)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of rat NTPDase 1				J Med Chem 51: 4518-28 (2008) Article DOI: 10.1021/jm800175e BindingDB Entry DOI: 10.7270/Q2XW4KQX
					More data for this Ligand-Target Pair
Ectonucleoside triphosphate diphosphohydrolase 1 (Rattus norvegicus)	BDBM50468622 (CHEMBL4285649) Show SMILES Cc1nn(C(=O)c2ccccc2C)c(C)c1Cl Show InChI InChI=1S/C13H13ClN2O/c1-8-6-4-5-7-11(8)13(17)16-10(3)12(14)9(2)15-16/h4-7H,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.05E+3	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-I-Azam University Curated by ChEMBL					Assay Description Inhibition of rat NTPDase1 expressed in CHO cells using ATP as substrate preincubated for 10 mins followed by substrate addition measured after 10 mi...				Eur J Med Chem 156: 461-478 (2018) Article DOI: 10.1016/j.ejmech.2018.07.002 BindingDB Entry DOI: 10.7270/Q21C20K3
					More data for this Ligand-Target Pair
Ectonucleoside triphosphate diphosphohydrolase 1 (Rattus norvegicus)	BDBM50468632 (CHEMBL4293491) Show SMILES CC(C)Cc1ccc(cc1)[C@@H](C)C(=O)n1nc(C)c(Cl)c1C |r| Show InChI InChI=1S/C18H23ClN2O/c1-11(2)10-15-6-8-16(9-7-15)12(3)18(22)21-14(5)17(19)13(4)20-21/h6-9,11-12H,10H2,1-5H3/t12-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-I-Azam University Curated by ChEMBL					Assay Description Inhibition of rat NTPDase1 expressed in CHO cells using ATP as substrate preincubated for 10 mins followed by substrate addition measured after 10 mi...				Eur J Med Chem 156: 461-478 (2018) Article DOI: 10.1016/j.ejmech.2018.07.002 BindingDB Entry DOI: 10.7270/Q21C20K3
					More data for this Ligand-Target Pair
Ectonucleoside triphosphate diphosphohydrolase 1 (Rattus norvegicus)	BDBM50468637 (CHEMBL4295005) Show SMILES Cc1nn(C(=O)c2cccc(C)c2)c(C)c1Cl Show InChI InChI=1S/C13H13ClN2O/c1-8-5-4-6-11(7-8)13(17)16-10(3)12(14)9(2)15-16/h4-7H,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-I-Azam University Curated by ChEMBL					Assay Description Inhibition of rat NTPDase1 expressed in CHO cells using ATP as substrate preincubated for 10 mins followed by substrate addition measured after 10 mi...				Eur J Med Chem 156: 461-478 (2018) Article DOI: 10.1016/j.ejmech.2018.07.002 BindingDB Entry DOI: 10.7270/Q21C20K3
					More data for this Ligand-Target Pair
Ectonucleoside triphosphate diphosphohydrolase 1 (Rattus norvegicus)	BDBM50468623 (CHEMBL4290501) Show SMILES Cc1cc(C)n(n1)C(=O)c1ccccc1C Show InChI InChI=1S/C13H14N2O/c1-9-6-4-5-7-12(9)13(16)15-11(3)8-10(2)14-15/h4-8H,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.21E+3	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-I-Azam University Curated by ChEMBL					Assay Description Inhibition of rat NTPDase1 expressed in CHO cells using ATP as substrate preincubated for 10 mins followed by substrate addition measured after 10 mi...				Eur J Med Chem 156: 461-478 (2018) Article DOI: 10.1016/j.ejmech.2018.07.002 BindingDB Entry DOI: 10.7270/Q21C20K3
					More data for this Ligand-Target Pair
Ectonucleoside triphosphate diphosphohydrolase 1 (Rattus norvegicus)	BDBM50468631 (CHEMBL4291645) Show SMILES Cc1n[nH]c(C)c1Oc1ccc2ccccc2c1 Show InChI InChI=1S/C15H14N2O/c1-10-15(11(2)17-16-10)18-14-8-7-12-5-3-4-6-13(12)9-14/h3-9H,1-2H3,(H,16,17)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.02E+3	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-I-Azam University Curated by ChEMBL					Assay Description Inhibition of rat NTPDase1 expressed in CHO cells using ATP as substrate preincubated for 10 mins followed by substrate addition measured after 10 mi...				Eur J Med Chem 156: 461-478 (2018) Article DOI: 10.1016/j.ejmech.2018.07.002 BindingDB Entry DOI: 10.7270/Q21C20K3
					More data for this Ligand-Target Pair
Ectonucleoside triphosphate diphosphohydrolase 1 (Rattus norvegicus)	BDBM50468629 (CHEMBL4279910) Show SMILES Cc1cc(=O)n([nH]1)C(=O)c1ccc(C)cc1 Show InChI InChI=1S/C12H12N2O2/c1-8-3-5-10(6-4-8)12(16)14-11(15)7-9(2)13-14/h3-7,13H,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.01E+4	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-I-Azam University Curated by ChEMBL					Assay Description Inhibition of rat NTPDase1 expressed in CHO cells using ATP as substrate preincubated for 10 mins followed by substrate addition measured after 10 mi...				Eur J Med Chem 156: 461-478 (2018) Article DOI: 10.1016/j.ejmech.2018.07.002 BindingDB Entry DOI: 10.7270/Q21C20K3
					More data for this Ligand-Target Pair
Ectonucleoside triphosphate diphosphohydrolase 1 (Rattus norvegicus)	BDBM23722 (4-chloro-1-[(4-chlorophenyl)carbonyl]-3,5-dimethyl...) Show SMILES Cc1nn(C(=O)c2ccc(Cl)cc2)c(C)c1Cl Show InChI InChI=1S/C12H10Cl2N2O/c1-7-11(14)8(2)16(15-7)12(17)9-3-5-10(13)6-4-9/h3-6H,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.24E+4	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-I-Azam University Curated by ChEMBL					Assay Description Inhibition of rat NTPDase1 expressed in CHO cells using ATP as substrate preincubated for 10 mins followed by substrate addition measured after 10 mi...				Eur J Med Chem 156: 461-478 (2018) Article DOI: 10.1016/j.ejmech.2018.07.002 BindingDB Entry DOI: 10.7270/Q21C20K3
					More data for this Ligand-Target Pair
Ectonucleoside triphosphate diphosphohydrolase 1 (Rattus norvegicus)	BDBM50468627 (CHEMBL390695) Show SMILES Cc1cc(C)n(n1)C(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C12H11ClN2O/c1-8-7-9(2)15(14-8)12(16)10-3-5-11(13)6-4-10/h3-7H,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.61E+4	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-I-Azam University Curated by ChEMBL					Assay Description Inhibition of rat NTPDase1 expressed in CHO cells using ATP as substrate preincubated for 10 mins followed by substrate addition measured after 10 mi...				Eur J Med Chem 156: 461-478 (2018) Article DOI: 10.1016/j.ejmech.2018.07.002 BindingDB Entry DOI: 10.7270/Q21C20K3
					More data for this Ligand-Target Pair
Ectonucleoside triphosphate diphosphohydrolase 1 (Rattus norvegicus)	BDBM50468626 (CHEMBL4280275) Show SMILES Cc1nn(C(=O)c2ccc(C)cc2)c(C)c1Cl Show InChI InChI=1S/C13H13ClN2O/c1-8-4-6-11(7-5-8)13(17)16-10(3)12(14)9(2)15-16/h4-7H,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.65E+4	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-I-Azam University Curated by ChEMBL					Assay Description Inhibition of rat NTPDase1 expressed in CHO cells using ATP as substrate preincubated for 10 mins followed by substrate addition measured after 10 mi...				Eur J Med Chem 156: 461-478 (2018) Article DOI: 10.1016/j.ejmech.2018.07.002 BindingDB Entry DOI: 10.7270/Q21C20K3
					More data for this Ligand-Target Pair
Ectonucleoside triphosphate diphosphohydrolase 1 (Rattus norvegicus)	BDBM50468634 (CHEMBL4283075) Show SMILES Cc1cc(C)n(n1)C(=O)c1ccc(N)cc1 Show InChI InChI=1S/C12H13N3O/c1-8-7-9(2)15(14-8)12(16)10-3-5-11(13)6-4-10/h3-7H,13H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.72E+4	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-I-Azam University Curated by ChEMBL					Assay Description Inhibition of rat NTPDase1 expressed in CHO cells using ATP as substrate preincubated for 10 mins followed by substrate addition measured after 10 mi...				Eur J Med Chem 156: 461-478 (2018) Article DOI: 10.1016/j.ejmech.2018.07.002 BindingDB Entry DOI: 10.7270/Q21C20K3
					More data for this Ligand-Target Pair
Ectonucleoside triphosphate diphosphohydrolase 1 (Rattus norvegicus)	BDBM50468639 (CHEMBL4291589) Show SMILES Cc1nn(C(=O)\C=C\c2ccccc2)c(C)c1Cl Show InChI InChI=1S/C14H13ClN2O/c1-10-14(15)11(2)17(16-10)13(18)9-8-12-6-4-3-5-7-12/h3-9H,1-2H3/b9-8+	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.85E+4	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-I-Azam University Curated by ChEMBL					Assay Description Inhibition of rat NTPDase1 expressed in CHO cells using ATP as substrate preincubated for 10 mins followed by substrate addition measured after 10 mi...				Eur J Med Chem 156: 461-478 (2018) Article DOI: 10.1016/j.ejmech.2018.07.002 BindingDB Entry DOI: 10.7270/Q21C20K3
					More data for this Ligand-Target Pair
Ectonucleoside triphosphate diphosphohydrolase 1 (Rattus norvegicus)	BDBM50468628 (CHEMBL4286443) Show SMILES Cc1cc(C)n(n1)C(=O)c1cccc(C)c1 Show InChI InChI=1S/C13H14N2O/c1-9-5-4-6-12(7-9)13(16)15-11(3)8-10(2)14-15/h4-8H,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.15E+4	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-I-Azam University Curated by ChEMBL					Assay Description Inhibition of rat NTPDase1 expressed in CHO cells using ATP as substrate preincubated for 10 mins followed by substrate addition measured after 10 mi...				Eur J Med Chem 156: 461-478 (2018) Article DOI: 10.1016/j.ejmech.2018.07.002 BindingDB Entry DOI: 10.7270/Q21C20K3
					More data for this Ligand-Target Pair
Ectonucleoside triphosphate diphosphohydrolase 1 (Rattus norvegicus)	BDBM50468636 (CHEMBL4288181) Show SMILES Cc1nn(C(=O)c2ccc3ccccc3c2)c(C)c1Cl Show InChI InChI=1S/C16H13ClN2O/c1-10-15(17)11(2)19(18-10)16(20)14-8-7-12-5-3-4-6-13(12)9-14/h3-9H,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-I-Azam University Curated by ChEMBL					Assay Description Inhibition of rat NTPDase1 expressed in CHO cells using ATP as substrate preincubated for 10 mins followed by substrate addition measured after 10 mi...				Eur J Med Chem 156: 461-478 (2018) Article DOI: 10.1016/j.ejmech.2018.07.002 BindingDB Entry DOI: 10.7270/Q21C20K3
					More data for this Ligand-Target Pair
Ectonucleoside triphosphate diphosphohydrolase 1 (Rattus norvegicus)	BDBM50468633 (CHEMBL4283728) Show SMILES Cc1nn(C(=O)c2ccncc2)c(C)c1Cl Show InChI InChI=1S/C11H10ClN3O/c1-7-10(12)8(2)15(14-7)11(16)9-3-5-13-6-4-9/h3-6H,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.42E+4	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-I-Azam University Curated by ChEMBL					Assay Description Inhibition of rat NTPDase1 expressed in CHO cells using ATP as substrate preincubated for 10 mins followed by substrate addition measured after 10 mi...				Eur J Med Chem 156: 461-478 (2018) Article DOI: 10.1016/j.ejmech.2018.07.002 BindingDB Entry DOI: 10.7270/Q21C20K3
					More data for this Ligand-Target Pair
Ectonucleoside triphosphate diphosphohydrolase 1 (Rattus norvegicus)	BDBM50468624 (CHEMBL4284994) Show SMILES Cc1cc(C)n(n1)C(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C16H14N2O/c1-11-9-12(2)18(17-11)16(19)15-8-7-13-5-3-4-6-14(13)10-15/h3-10H,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.45E+4	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-I-Azam University Curated by ChEMBL					Assay Description Inhibition of rat NTPDase1 expressed in CHO cells using ATP as substrate preincubated for 10 mins followed by substrate addition measured after 10 mi...				Eur J Med Chem 156: 461-478 (2018) Article DOI: 10.1016/j.ejmech.2018.07.002 BindingDB Entry DOI: 10.7270/Q21C20K3
					More data for this Ligand-Target Pair
Ectonucleoside triphosphate diphosphohydrolase 1 (Rattus norvegicus)	BDBM50468635 (CHEMBL4283786) Show SMILES Cc1nn(C(=O)c2ccc(N)cc2)c(C)c1Oc1ccc(C)cc1 Show InChI InChI=1S/C19H19N3O2/c1-12-4-10-17(11-5-12)24-18-13(2)21-22(14(18)3)19(23)15-6-8-16(20)9-7-15/h4-11H,20H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.47E+4	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-I-Azam University Curated by ChEMBL					Assay Description Inhibition of rat NTPDase1 expressed in CHO cells using ATP as substrate preincubated for 10 mins followed by substrate addition measured after 10 mi...				Eur J Med Chem 156: 461-478 (2018) Article DOI: 10.1016/j.ejmech.2018.07.002 BindingDB Entry DOI: 10.7270/Q21C20K3
					More data for this Ligand-Target Pair
Ectonucleoside triphosphate diphosphohydrolase 1 (Rattus norvegicus)	BDBM62527 ((3,5-Dimethyl-pyrazol-1-yl)-pyridin-4-yl-methanone...) Show SMILES Cc1cc(C)n(n1)C(=O)c1ccncc1 Show InChI InChI=1S/C11H11N3O/c1-8-7-9(2)14(13-8)11(15)10-3-5-12-6-4-10/h3-7H,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.76E+4	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-I-Azam University Curated by ChEMBL					Assay Description Inhibition of rat NTPDase1 expressed in CHO cells using ATP as substrate preincubated for 10 mins followed by substrate addition measured after 10 mi...				Eur J Med Chem 156: 461-478 (2018) Article DOI: 10.1016/j.ejmech.2018.07.002 BindingDB Entry DOI: 10.7270/Q21C20K3
					More data for this Ligand-Target Pair
Ectonucleoside triphosphate diphosphohydrolase 1 (Rattus norvegicus)	BDBM50468625 (CHEMBL4287085) Show SMILES Cc1nn(C(=O)c2ccc(N)cc2)c(C)c1Cl Show InChI InChI=1S/C12H12ClN3O/c1-7-11(13)8(2)16(15-7)12(17)9-3-5-10(14)6-4-9/h3-6H,14H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.82E+4	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-I-Azam University Curated by ChEMBL					Assay Description Inhibition of rat NTPDase1 expressed in CHO cells using ATP as substrate preincubated for 10 mins followed by substrate addition measured after 10 mi...				Eur J Med Chem 156: 461-478 (2018) Article DOI: 10.1016/j.ejmech.2018.07.002 BindingDB Entry DOI: 10.7270/Q21C20K3
					More data for this Ligand-Target Pair
Ectonucleoside triphosphate diphosphohydrolase 1 (Rattus norvegicus)	BDBM50468630 (CHEMBL4280333) Show SMILES Cc1cc(=O)n([nH]1)C(=O)c1ccc(N)cc1 Show InChI InChI=1S/C11H11N3O2/c1-7-6-10(15)14(13-7)11(16)8-2-4-9(12)5-3-8/h2-6,13H,12H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-I-Azam University Curated by ChEMBL					Assay Description Inhibition of rat NTPDase1 expressed in CHO cells using ATP as substrate preincubated for 10 mins followed by substrate addition measured after 10 mi...				Eur J Med Chem 156: 461-478 (2018) Article DOI: 10.1016/j.ejmech.2018.07.002 BindingDB Entry DOI: 10.7270/Q21C20K3
					More data for this Ligand-Target Pair
Ectonucleoside triphosphate diphosphohydrolase 1 (Rattus norvegicus)	BDBM50468638 (CHEMBL4288229) Show SMILES Cc1nn(C(=O)c2ccc(Cl)cc2)c(C)c1Oc1ccc(C)cc1 Show InChI InChI=1S/C19H17ClN2O2/c1-12-4-10-17(11-5-12)24-18-13(2)21-22(14(18)3)19(23)15-6-8-16(20)9-7-15/h4-11H,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.87E+4	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-I-Azam University Curated by ChEMBL					Assay Description Inhibition of rat NTPDase1 expressed in CHO cells using ATP as substrate preincubated for 10 mins followed by substrate addition measured after 10 mi...				Eur J Med Chem 156: 461-478 (2018) Article DOI: 10.1016/j.ejmech.2018.07.002 BindingDB Entry DOI: 10.7270/Q21C20K3
					More data for this Ligand-Target Pair